USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot -159:sc= 0.392 USER MOD Set 1.2: B 105 A O2' : rot 32:sc= 1.1 USER MOD Set 2.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 75 MET CE :methyl 139:sc= -0.482 (180deg=-3.93!) USER MOD Set 3.1: A 22 THR OG1 : rot -57:sc= 1.2 USER MOD Set 3.2: A 25 THR OG1 : rot -160:sc= 0.894 USER MOD Set 4.1: A 17 LYS NZ :NH3+ 177:sc= 0.356 (180deg=0.227) USER MOD Set 4.2: A 88 GLN : amide:sc= -0.134 K(o=0.22,f=-1.5) USER MOD Set 5.1: A 13 MET CE :methyl -140:sc= -0.0993 (180deg=-0.366) USER MOD Set 5.2: A 63 HIS : no HE2:sc= 0.207 K(o=0.11,f=-1.2) USER MOD Set 6.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 6.2: A 3 TYR OH : rot 60:sc= -0.0488 USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.4 (180deg=0.185) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 15 SER OG : rot -170:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 1.77 K(o=1.8,f=-3.1!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.119 USER MOD Single : A 29 THR OG1 : rot 33:sc= 0.974 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0812 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.032 USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0724) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -147:sc= 0 (180deg=-0.897) USER MOD Single : A 89 MET CE :methyl 137:sc= -0.0197 (180deg=-0.425) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 169:sc= 0.674 USER MOD Single : A 99 HIS : no HD1:sc= 0.443 K(o=0.44,f=-4.4!) USER MOD Single : A 100 HIS : no HD1:sc= 0.227 K(o=0.23,f=-2.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot -145:sc= 0.661 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 20:sc= 0.906 USER MOD Single : B 104 C O2' : rot 99:sc= 1.67 USER MOD Single : B 106 G O2' : rot 180:sc= 0 USER MOD Single : B 107 U O2' : rot 140:sc= 0.194 USER MOD Single : B 107 U O3' : rot 50:sc= -0.0439 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.735 19.310 5.600 1.00 0.00 N ATOM 2 CA MET A 1 -0.111 18.546 4.660 1.00 0.00 C ATOM 3 C MET A 1 -1.530 18.402 5.202 1.00 0.00 C ATOM 4 O MET A 1 -1.836 18.909 6.283 1.00 0.00 O ATOM 5 CB MET A 1 0.510 17.184 4.322 1.00 0.00 C ATOM 6 CG MET A 1 0.532 16.222 5.512 1.00 0.00 C ATOM 7 SD MET A 1 1.644 16.684 6.860 1.00 0.00 S ATOM 8 CE MET A 1 1.361 15.274 7.962 1.00 0.00 C ATOM 0 H1 MET A 1 1.411 19.891 5.065 1.00 0.00 H new ATOM 0 H2 MET A 1 0.135 19.927 6.184 1.00 0.00 H new ATOM 0 H3 MET A 1 1.255 18.651 6.214 1.00 0.00 H new ATOM 0 HA MET A 1 -0.168 19.108 3.728 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.050 16.729 3.505 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.529 17.334 3.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.479 16.139 5.910 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.815 15.233 5.153 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.970 15.385 8.859 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.308 15.236 8.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.634 14.351 7.450 1.00 0.00 H new ATOM 18 N SER A 2 -2.403 17.716 4.460 1.00 0.00 N ATOM 19 CA SER A 2 -3.790 17.508 4.836 1.00 0.00 C ATOM 20 C SER A 2 -4.324 16.246 4.165 1.00 0.00 C ATOM 21 O SER A 2 -3.659 15.661 3.310 1.00 0.00 O ATOM 22 CB SER A 2 -4.623 18.716 4.410 1.00 0.00 C ATOM 23 OG SER A 2 -4.552 18.893 3.011 1.00 0.00 O ATOM 0 H SER A 2 -2.155 17.286 3.569 1.00 0.00 H new ATOM 0 HA SER A 2 -3.856 17.390 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.661 18.576 4.713 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.262 19.612 4.915 1.00 0.00 H new ATOM 0 HG SER A 2 -5.091 19.669 2.752 1.00 0.00 H new ATOM 29 N TYR A 3 -5.533 15.823 4.554 1.00 0.00 N ATOM 30 CA TYR A 3 -6.142 14.597 4.060 1.00 0.00 C ATOM 31 C TYR A 3 -7.648 14.769 3.898 1.00 0.00 C ATOM 32 O TYR A 3 -8.204 15.802 4.274 1.00 0.00 O ATOM 33 CB TYR A 3 -5.828 13.463 5.039 1.00 0.00 C ATOM 34 CG TYR A 3 -4.335 13.272 5.197 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.643 12.414 4.329 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.642 13.978 6.189 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.252 12.280 4.436 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.251 13.850 6.302 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.547 13.008 5.416 1.00 0.00 C ATOM 40 OH TYR A 3 -0.195 12.899 5.506 1.00 0.00 O ATOM 0 H TYR A 3 -6.113 16.329 5.223 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.733 14.356 3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.273 13.683 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.280 12.537 4.684 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.183 11.856 3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.181 14.622 6.868 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.720 11.619 3.768 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.718 14.396 7.067 1.00 0.00 H new ATOM 0 HH TYR A 3 0.213 13.183 4.662 1.00 0.00 H new ATOM 50 N GLY A 4 -8.303 13.755 3.334 1.00 0.00 N ATOM 51 CA GLY A 4 -9.725 13.821 3.052 1.00 0.00 C ATOM 52 C GLY A 4 -10.318 12.440 2.795 1.00 0.00 C ATOM 53 O GLY A 4 -9.594 11.444 2.773 1.00 0.00 O ATOM 0 H GLY A 4 -7.863 12.875 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.240 14.287 3.892 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.894 14.456 2.182 1.00 0.00 H new ATOM 57 N ARG A 5 -11.639 12.395 2.600 1.00 0.00 N ATOM 58 CA ARG A 5 -12.388 11.174 2.358 1.00 0.00 C ATOM 59 C ARG A 5 -11.800 10.358 1.206 1.00 0.00 C ATOM 60 O ARG A 5 -11.227 10.927 0.275 1.00 0.00 O ATOM 61 CB ARG A 5 -13.847 11.541 2.068 1.00 0.00 C ATOM 62 CG ARG A 5 -13.953 12.358 0.778 1.00 0.00 C ATOM 63 CD ARG A 5 -15.384 12.802 0.491 1.00 0.00 C ATOM 64 NE ARG A 5 -16.289 11.652 0.354 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.209 11.295 1.254 1.00 0.00 C ATOM 66 NH1 ARG A 5 -17.367 11.979 2.384 1.00 0.00 N ATOM 67 NH2 ARG A 5 -17.982 10.240 1.024 1.00 0.00 N ATOM 0 H ARG A 5 -12.224 13.230 2.608 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.328 10.547 3.248 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.445 10.634 1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.256 12.113 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.310 13.235 0.852 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.585 11.763 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.734 13.447 1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.406 13.394 -0.424 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.209 11.085 -0.490 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -16.780 12.791 2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.075 11.691 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -17.872 9.705 0.162 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -18.686 9.964 1.709 1.00 0.00 H new ATOM 81 N PRO A 6 -11.946 9.029 1.268 1.00 0.00 N ATOM 82 CA PRO A 6 -11.636 8.110 0.181 1.00 0.00 C ATOM 83 C PRO A 6 -12.300 8.534 -1.131 1.00 0.00 C ATOM 84 O PRO A 6 -13.270 9.293 -1.108 1.00 0.00 O ATOM 85 CB PRO A 6 -12.178 6.757 0.644 1.00 0.00 C ATOM 86 CG PRO A 6 -12.143 6.852 2.166 1.00 0.00 C ATOM 87 CD PRO A 6 -12.443 8.328 2.431 1.00 0.00 C ATOM 0 HA PRO A 6 -10.566 8.085 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.190 6.585 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.563 5.934 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.886 6.201 2.627 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.172 6.560 2.565 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.512 8.495 2.565 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -11.950 8.673 3.340 1.00 0.00 H new ATOM 95 N PRO A 7 -11.797 8.057 -2.280 1.00 0.00 N ATOM 96 CA PRO A 7 -12.377 8.339 -3.584 1.00 0.00 C ATOM 97 C PRO A 7 -13.878 8.038 -3.627 1.00 0.00 C ATOM 98 O PRO A 7 -14.355 7.162 -2.909 1.00 0.00 O ATOM 99 CB PRO A 7 -11.602 7.470 -4.574 1.00 0.00 C ATOM 100 CG PRO A 7 -10.257 7.252 -3.882 1.00 0.00 C ATOM 101 CD PRO A 7 -10.625 7.213 -2.397 1.00 0.00 C ATOM 0 HA PRO A 7 -12.295 9.398 -3.828 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.113 6.526 -4.765 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.482 7.968 -5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.785 6.323 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -9.557 8.058 -4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.837 6.195 -2.069 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -9.808 7.584 -1.778 1.00 0.00 H new ATOM 109 N PRO A 8 -14.632 8.757 -4.468 1.00 0.00 N ATOM 110 CA PRO A 8 -16.079 8.645 -4.577 1.00 0.00 C ATOM 111 C PRO A 8 -16.527 7.435 -5.400 1.00 0.00 C ATOM 112 O PRO A 8 -17.713 7.319 -5.707 1.00 0.00 O ATOM 113 CB PRO A 8 -16.505 9.936 -5.269 1.00 0.00 C ATOM 114 CG PRO A 8 -15.332 10.217 -6.199 1.00 0.00 C ATOM 115 CD PRO A 8 -14.128 9.770 -5.373 1.00 0.00 C ATOM 0 HA PRO A 8 -16.531 8.503 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -17.438 9.812 -5.819 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -16.660 10.746 -4.556 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.412 9.658 -7.131 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -15.271 11.272 -6.464 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.341 9.369 -6.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.697 10.607 -4.824 1.00 0.00 H new ATOM 123 N ASP A 9 -15.612 6.538 -5.767 1.00 0.00 N ATOM 124 CA ASP A 9 -15.937 5.419 -6.647 1.00 0.00 C ATOM 125 C ASP A 9 -15.230 4.133 -6.217 1.00 0.00 C ATOM 126 O ASP A 9 -15.088 3.203 -7.009 1.00 0.00 O ATOM 127 CB ASP A 9 -15.606 5.812 -8.090 1.00 0.00 C ATOM 128 CG ASP A 9 -16.171 4.821 -9.105 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.334 4.395 -8.916 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.436 4.499 -10.067 1.00 0.00 O ATOM 0 H ASP A 9 -14.638 6.566 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.003 5.204 -6.578 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.006 6.805 -8.294 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.524 5.873 -8.209 1.00 0.00 H new ATOM 135 N VAL A 10 -14.778 4.067 -4.959 1.00 0.00 N ATOM 136 CA VAL A 10 -14.149 2.858 -4.426 1.00 0.00 C ATOM 137 C VAL A 10 -15.108 1.668 -4.429 1.00 0.00 C ATOM 138 O VAL A 10 -14.690 0.531 -4.218 1.00 0.00 O ATOM 139 CB VAL A 10 -13.627 3.092 -3.004 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.532 4.154 -3.004 1.00 0.00 C ATOM 141 CG2 VAL A 10 -14.751 3.522 -2.060 1.00 0.00 C ATOM 0 H VAL A 10 -14.837 4.838 -4.293 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.311 2.624 -5.083 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.217 2.147 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.173 4.307 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.706 3.825 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.933 5.090 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.346 3.679 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.195 4.449 -2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.514 2.744 -2.024 1.00 0.00 H new ATOM 151 N GLU A 11 -16.400 1.914 -4.664 1.00 0.00 N ATOM 152 CA GLU A 11 -17.422 0.872 -4.696 1.00 0.00 C ATOM 153 C GLU A 11 -17.524 0.245 -6.086 1.00 0.00 C ATOM 154 O GLU A 11 -18.387 -0.599 -6.323 1.00 0.00 O ATOM 155 CB GLU A 11 -18.770 1.480 -4.309 1.00 0.00 C ATOM 156 CG GLU A 11 -18.671 2.145 -2.938 1.00 0.00 C ATOM 157 CD GLU A 11 -20.025 2.699 -2.496 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.341 3.845 -2.884 1.00 0.00 O ATOM 159 OE2 GLU A 11 -20.738 1.970 -1.771 1.00 0.00 O ATOM 0 H GLU A 11 -16.766 2.850 -4.838 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.145 0.090 -3.989 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.075 2.213 -5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.536 0.705 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.314 1.422 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.939 2.952 -2.974 1.00 0.00 H new ATOM 166 N GLY A 12 -16.646 0.658 -7.006 1.00 0.00 N ATOM 167 CA GLY A 12 -16.665 0.199 -8.392 1.00 0.00 C ATOM 168 C GLY A 12 -15.263 -0.068 -8.931 1.00 0.00 C ATOM 169 O GLY A 12 -15.087 -0.175 -10.143 1.00 0.00 O ATOM 0 H GLY A 12 -15.900 1.324 -6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.259 -0.712 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.155 0.948 -9.014 1.00 0.00 H new ATOM 173 N MET A 13 -14.262 -0.175 -8.048 1.00 0.00 N ATOM 174 CA MET A 13 -12.882 -0.445 -8.434 1.00 0.00 C ATOM 175 C MET A 13 -12.236 -1.372 -7.401 1.00 0.00 C ATOM 176 O MET A 13 -12.800 -1.604 -6.333 1.00 0.00 O ATOM 177 CB MET A 13 -12.100 0.869 -8.529 1.00 0.00 C ATOM 178 CG MET A 13 -12.693 1.785 -9.603 1.00 0.00 C ATOM 179 SD MET A 13 -11.751 3.300 -9.910 1.00 0.00 S ATOM 180 CE MET A 13 -11.898 4.075 -8.279 1.00 0.00 C ATOM 0 H MET A 13 -14.393 -0.075 -7.041 1.00 0.00 H new ATOM 0 HA MET A 13 -12.866 -0.931 -9.409 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.116 1.376 -7.564 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.056 0.659 -8.761 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.770 1.226 -10.536 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.707 2.057 -9.310 1.00 0.00 H new ATOM 0 HE1 MET A 13 -12.055 5.147 -8.398 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.744 3.642 -7.745 1.00 0.00 H new ATOM 0 HE3 MET A 13 -10.984 3.903 -7.711 1.00 0.00 H new ATOM 190 N THR A 14 -11.054 -1.906 -7.728 1.00 0.00 N ATOM 191 CA THR A 14 -10.320 -2.782 -6.825 1.00 0.00 C ATOM 192 C THR A 14 -9.803 -1.997 -5.622 1.00 0.00 C ATOM 193 O THR A 14 -9.990 -0.782 -5.537 1.00 0.00 O ATOM 194 CB THR A 14 -9.174 -3.475 -7.575 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.642 -4.505 -6.773 1.00 0.00 O ATOM 196 CG2 THR A 14 -8.058 -2.504 -7.944 1.00 0.00 C ATOM 0 H THR A 14 -10.587 -1.741 -8.620 1.00 0.00 H new ATOM 0 HA THR A 14 -10.995 -3.553 -6.453 1.00 0.00 H new ATOM 0 HB THR A 14 -9.585 -3.880 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.911 -4.949 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.270 -3.040 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.457 -1.719 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.649 -2.059 -7.037 1.00 0.00 H new ATOM 203 N SER A 15 -9.149 -2.684 -4.685 1.00 0.00 N ATOM 204 CA SER A 15 -8.615 -2.068 -3.481 1.00 0.00 C ATOM 205 C SER A 15 -7.398 -2.835 -2.971 1.00 0.00 C ATOM 206 O SER A 15 -7.267 -4.041 -3.164 1.00 0.00 O ATOM 207 CB SER A 15 -9.704 -2.039 -2.408 1.00 0.00 C ATOM 208 OG SER A 15 -10.145 -3.352 -2.126 1.00 0.00 O ATOM 0 H SER A 15 -8.977 -3.688 -4.745 1.00 0.00 H new ATOM 0 HA SER A 15 -8.299 -1.051 -3.714 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.319 -1.574 -1.501 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.543 -1.431 -2.747 1.00 0.00 H new ATOM 0 HG SER A 15 -10.944 -3.314 -1.560 1.00 0.00 H new ATOM 214 N LEU A 16 -6.506 -2.100 -2.307 1.00 0.00 N ATOM 215 CA LEU A 16 -5.328 -2.630 -1.639 1.00 0.00 C ATOM 216 C LEU A 16 -5.130 -1.811 -0.375 1.00 0.00 C ATOM 217 O LEU A 16 -5.539 -0.653 -0.363 1.00 0.00 O ATOM 218 CB LEU A 16 -4.118 -2.453 -2.572 1.00 0.00 C ATOM 219 CG LEU A 16 -2.838 -3.105 -2.031 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.885 -4.613 -2.271 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.626 -2.543 -2.766 1.00 0.00 C ATOM 0 H LEU A 16 -6.591 -1.087 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.439 -3.687 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.353 -2.882 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.939 -1.389 -2.727 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.763 -2.896 -0.964 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.974 -5.071 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.749 -5.036 -1.759 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.965 -4.809 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.719 -3.008 -2.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.717 -2.754 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.575 -1.465 -2.613 1.00 0.00 H new ATOM 233 N LYS A 17 -4.520 -2.366 0.678 1.00 0.00 N ATOM 234 CA LYS A 17 -4.136 -1.565 1.831 1.00 0.00 C ATOM 235 C LYS A 17 -2.686 -1.806 2.229 1.00 0.00 C ATOM 236 O LYS A 17 -2.065 -2.767 1.781 1.00 0.00 O ATOM 237 CB LYS A 17 -5.096 -1.756 3.007 1.00 0.00 C ATOM 238 CG LYS A 17 -4.801 -2.946 3.922 1.00 0.00 C ATOM 239 CD LYS A 17 -5.700 -2.796 5.153 1.00 0.00 C ATOM 240 CE LYS A 17 -5.397 -3.852 6.217 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.075 -3.661 6.836 1.00 0.00 N ATOM 0 H LYS A 17 -4.286 -3.356 0.750 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.212 -0.519 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.087 -0.848 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.106 -1.867 2.612 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.003 -3.886 3.409 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.750 -2.959 4.211 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.566 -1.802 5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.744 -2.875 4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.165 -3.817 6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.444 -4.843 5.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.937 -4.369 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.334 -3.771 6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.019 -2.707 7.247 1.00 0.00 H new ATOM 255 N VAL A 18 -2.161 -0.916 3.073 1.00 0.00 N ATOM 256 CA VAL A 18 -0.778 -0.921 3.519 1.00 0.00 C ATOM 257 C VAL A 18 -0.732 -0.576 5.001 1.00 0.00 C ATOM 258 O VAL A 18 -1.383 0.377 5.425 1.00 0.00 O ATOM 259 CB VAL A 18 -0.031 0.169 2.754 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.391 0.343 3.285 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.010 -0.083 1.247 1.00 0.00 C ATOM 0 H VAL A 18 -2.707 -0.153 3.473 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.330 -1.900 3.347 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.582 1.095 2.921 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.897 1.126 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.355 0.621 4.338 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.937 -0.594 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.533 0.721 0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.484 -1.033 1.044 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.032 -0.117 0.870 1.00 0.00 H new ATOM 271 N ASP A 19 0.041 -1.354 5.766 1.00 0.00 N ATOM 272 CA ASP A 19 0.125 -1.261 7.217 1.00 0.00 C ATOM 273 C ASP A 19 1.491 -1.727 7.730 1.00 0.00 C ATOM 274 O ASP A 19 2.394 -1.998 6.941 1.00 0.00 O ATOM 275 CB ASP A 19 -0.996 -2.100 7.835 1.00 0.00 C ATOM 276 CG ASP A 19 -0.925 -3.576 7.441 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.385 -3.898 6.321 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.410 -4.361 8.265 1.00 0.00 O ATOM 0 H ASP A 19 0.639 -2.083 5.377 1.00 0.00 H new ATOM 0 HA ASP A 19 0.009 -0.218 7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.948 -2.017 8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.959 -1.693 7.526 1.00 0.00 H new ATOM 283 N ASN A 20 1.615 -1.814 9.060 1.00 0.00 N ATOM 284 CA ASN A 20 2.839 -2.151 9.773 1.00 0.00 C ATOM 285 C ASN A 20 4.001 -1.230 9.387 1.00 0.00 C ATOM 286 O ASN A 20 4.717 -1.493 8.426 1.00 0.00 O ATOM 287 CB ASN A 20 3.180 -3.638 9.593 1.00 0.00 C ATOM 288 CG ASN A 20 3.835 -4.192 10.853 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.151 -4.662 11.757 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.161 -4.142 10.927 1.00 0.00 N ATOM 0 H ASN A 20 0.830 -1.643 9.688 1.00 0.00 H new ATOM 0 HA ASN A 20 2.666 -1.983 10.836 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.273 -4.201 9.370 1.00 0.00 H new ATOM 0 HB3 ASN A 20 3.850 -3.763 8.743 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.640 -4.501 11.753 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.700 -3.745 10.158 1.00 0.00 H new ATOM 297 N LEU A 21 4.181 -0.144 10.144 1.00 0.00 N ATOM 298 CA LEU A 21 5.272 0.802 9.928 1.00 0.00 C ATOM 299 C LEU A 21 6.069 1.045 11.213 1.00 0.00 C ATOM 300 O LEU A 21 5.710 0.533 12.271 1.00 0.00 O ATOM 301 CB LEU A 21 4.715 2.096 9.317 1.00 0.00 C ATOM 302 CG LEU A 21 3.511 2.692 10.062 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.832 3.197 11.467 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.956 3.868 9.271 1.00 0.00 C ATOM 0 H LEU A 21 3.572 0.102 10.924 1.00 0.00 H new ATOM 0 HA LEU A 21 5.982 0.376 9.219 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.511 2.840 9.288 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.425 1.899 8.285 1.00 0.00 H new ATOM 0 HG LEU A 21 2.794 1.877 10.158 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.929 3.602 11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.207 2.372 12.073 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.590 3.978 11.409 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.102 4.291 9.799 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.728 4.629 9.161 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.640 3.527 8.285 1.00 0.00 H new ATOM 316 N THR A 22 7.154 1.824 11.125 1.00 0.00 N ATOM 317 CA THR A 22 8.033 2.073 12.262 1.00 0.00 C ATOM 318 C THR A 22 7.510 3.205 13.140 1.00 0.00 C ATOM 319 O THR A 22 6.582 3.920 12.763 1.00 0.00 O ATOM 320 CB THR A 22 9.435 2.450 11.778 1.00 0.00 C ATOM 321 OG1 THR A 22 9.401 3.739 11.205 1.00 0.00 O ATOM 322 CG2 THR A 22 9.961 1.463 10.742 1.00 0.00 C ATOM 0 H THR A 22 7.442 2.294 10.267 1.00 0.00 H new ATOM 0 HA THR A 22 8.066 1.154 12.847 1.00 0.00 H new ATOM 0 HB THR A 22 10.102 2.428 12.640 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.748 3.755 10.475 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.959 1.766 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.007 0.466 11.180 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.294 1.450 9.880 1.00 0.00 H new ATOM 329 N TYR A 23 8.115 3.367 14.317 1.00 0.00 N ATOM 330 CA TYR A 23 7.795 4.453 15.231 1.00 0.00 C ATOM 331 C TYR A 23 8.285 5.804 14.699 1.00 0.00 C ATOM 332 O TYR A 23 8.216 6.805 15.408 1.00 0.00 O ATOM 333 CB TYR A 23 8.410 4.150 16.600 1.00 0.00 C ATOM 334 CG TYR A 23 9.922 4.142 16.623 1.00 0.00 C ATOM 335 CD1 TYR A 23 10.629 3.014 16.186 1.00 0.00 C ATOM 336 CD2 TYR A 23 10.618 5.267 17.088 1.00 0.00 C ATOM 337 CE1 TYR A 23 12.032 3.007 16.194 1.00 0.00 C ATOM 338 CE2 TYR A 23 12.022 5.266 17.111 1.00 0.00 C ATOM 339 CZ TYR A 23 12.731 4.137 16.658 1.00 0.00 C ATOM 340 OH TYR A 23 14.094 4.137 16.673 1.00 0.00 O ATOM 0 H TYR A 23 8.844 2.742 14.661 1.00 0.00 H new ATOM 0 HA TYR A 23 6.711 4.525 15.324 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.053 4.890 17.316 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.049 3.179 16.939 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.090 2.144 15.841 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.074 6.135 17.429 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.573 2.139 15.846 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.557 6.130 17.476 1.00 0.00 H new ATOM 0 HH TYR A 23 14.417 4.994 17.021 1.00 0.00 H new ATOM 350 N ARG A 24 8.781 5.841 13.454 1.00 0.00 N ATOM 351 CA ARG A 24 9.334 7.040 12.839 1.00 0.00 C ATOM 352 C ARG A 24 8.707 7.317 11.477 1.00 0.00 C ATOM 353 O ARG A 24 8.946 8.376 10.901 1.00 0.00 O ATOM 354 CB ARG A 24 10.850 6.874 12.679 1.00 0.00 C ATOM 355 CG ARG A 24 11.578 6.677 14.007 1.00 0.00 C ATOM 356 CD ARG A 24 11.406 7.893 14.916 1.00 0.00 C ATOM 357 NE ARG A 24 12.000 9.104 14.327 1.00 0.00 N ATOM 358 CZ ARG A 24 13.299 9.399 14.369 1.00 0.00 C ATOM 359 NH1 ARG A 24 14.172 8.589 14.974 1.00 0.00 N ATOM 360 NH2 ARG A 24 13.748 10.517 13.802 1.00 0.00 N ATOM 0 H ARG A 24 8.806 5.024 12.844 1.00 0.00 H new ATOM 0 HA ARG A 24 9.111 7.886 13.489 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.049 6.019 12.033 1.00 0.00 H new ATOM 0 HB3 ARG A 24 11.254 7.753 12.178 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.194 5.788 14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.638 6.505 13.822 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.345 8.062 15.101 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.870 7.693 15.882 1.00 0.00 H new ATOM 0 HE ARG A 24 11.377 9.760 13.856 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.848 7.728 15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.162 8.832 14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.098 11.149 13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.742 10.742 13.835 1.00 0.00 H new ATOM 374 N THR A 25 7.907 6.384 10.951 1.00 0.00 N ATOM 375 CA THR A 25 7.199 6.589 9.692 1.00 0.00 C ATOM 376 C THR A 25 6.083 7.615 9.904 1.00 0.00 C ATOM 377 O THR A 25 5.678 7.852 11.042 1.00 0.00 O ATOM 378 CB THR A 25 6.638 5.251 9.195 1.00 0.00 C ATOM 379 OG1 THR A 25 7.699 4.326 9.082 1.00 0.00 O ATOM 380 CG2 THR A 25 6.000 5.379 7.815 1.00 0.00 C ATOM 0 H THR A 25 7.736 5.476 11.384 1.00 0.00 H new ATOM 0 HA THR A 25 7.881 6.973 8.934 1.00 0.00 H new ATOM 0 HB THR A 25 5.882 4.925 9.909 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.434 3.596 8.485 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.615 4.409 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.181 6.097 7.858 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.747 5.723 7.099 1.00 0.00 H new ATOM 387 N SER A 26 5.585 8.220 8.826 1.00 0.00 N ATOM 388 CA SER A 26 4.561 9.257 8.889 1.00 0.00 C ATOM 389 C SER A 26 3.634 9.138 7.678 1.00 0.00 C ATOM 390 O SER A 26 3.994 8.501 6.692 1.00 0.00 O ATOM 391 CB SER A 26 5.258 10.619 8.910 1.00 0.00 C ATOM 392 OG SER A 26 6.068 10.728 10.061 1.00 0.00 O ATOM 0 H SER A 26 5.885 8.000 7.876 1.00 0.00 H new ATOM 0 HA SER A 26 3.956 9.146 9.789 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.867 10.739 8.014 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.516 11.417 8.901 1.00 0.00 H new ATOM 0 HG SER A 26 6.512 11.602 10.067 1.00 0.00 H new ATOM 398 N PRO A 27 2.434 9.734 7.720 1.00 0.00 N ATOM 399 CA PRO A 27 1.474 9.612 6.637 1.00 0.00 C ATOM 400 C PRO A 27 1.899 10.395 5.395 1.00 0.00 C ATOM 401 O PRO A 27 1.458 10.072 4.293 1.00 0.00 O ATOM 402 CB PRO A 27 0.159 10.140 7.215 1.00 0.00 C ATOM 403 CG PRO A 27 0.616 11.158 8.260 1.00 0.00 C ATOM 404 CD PRO A 27 1.904 10.540 8.806 1.00 0.00 C ATOM 0 HA PRO A 27 1.387 8.580 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.461 10.603 6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.432 9.342 7.663 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.795 12.138 7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.130 11.294 9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.614 11.311 9.106 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.705 9.930 9.687 1.00 0.00 H new ATOM 412 N ASP A 28 2.747 11.417 5.549 1.00 0.00 N ATOM 413 CA ASP A 28 3.202 12.196 4.409 1.00 0.00 C ATOM 414 C ASP A 28 4.247 11.424 3.605 1.00 0.00 C ATOM 415 O ASP A 28 4.300 11.546 2.378 1.00 0.00 O ATOM 416 CB ASP A 28 3.767 13.531 4.888 1.00 0.00 C ATOM 417 CG ASP A 28 4.993 13.356 5.777 1.00 0.00 C ATOM 418 OD1 ASP A 28 4.803 12.933 6.938 1.00 0.00 O ATOM 419 OD2 ASP A 28 6.111 13.643 5.292 1.00 0.00 O ATOM 0 H ASP A 28 3.126 11.717 6.447 1.00 0.00 H new ATOM 0 HA ASP A 28 2.352 12.387 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.031 14.142 4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.997 14.072 5.438 1.00 0.00 H new ATOM 424 N THR A 29 5.078 10.620 4.277 1.00 0.00 N ATOM 425 CA THR A 29 6.028 9.803 3.546 1.00 0.00 C ATOM 426 C THR A 29 5.247 8.773 2.765 1.00 0.00 C ATOM 427 O THR A 29 5.475 8.626 1.575 1.00 0.00 O ATOM 428 CB THR A 29 7.014 9.057 4.452 1.00 0.00 C ATOM 429 OG1 THR A 29 6.460 8.780 5.719 1.00 0.00 O ATOM 430 CG2 THR A 29 8.264 9.908 4.662 1.00 0.00 C ATOM 0 H THR A 29 5.107 10.524 5.292 1.00 0.00 H new ATOM 0 HA THR A 29 6.610 10.470 2.910 1.00 0.00 H new ATOM 0 HB THR A 29 7.255 8.116 3.958 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.497 8.621 5.627 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.963 9.375 5.306 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.736 10.105 3.699 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.987 10.852 5.130 1.00 0.00 H new ATOM 437 N LEU A 30 4.325 8.063 3.418 1.00 0.00 N ATOM 438 CA LEU A 30 3.660 6.954 2.767 1.00 0.00 C ATOM 439 C LEU A 30 2.914 7.417 1.521 1.00 0.00 C ATOM 440 O LEU A 30 2.754 6.638 0.587 1.00 0.00 O ATOM 441 CB LEU A 30 2.718 6.269 3.742 1.00 0.00 C ATOM 442 CG LEU A 30 3.475 5.766 4.972 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.460 5.499 6.081 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.221 4.473 4.635 1.00 0.00 C ATOM 0 H LEU A 30 4.032 8.238 4.379 1.00 0.00 H new ATOM 0 HA LEU A 30 4.415 6.235 2.449 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.938 6.965 4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.222 5.433 3.248 1.00 0.00 H new ATOM 0 HG LEU A 30 4.201 6.512 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.978 5.139 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.930 6.421 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.746 4.746 5.747 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.757 4.122 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.507 3.713 4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.931 4.662 3.830 1.00 0.00 H new ATOM 456 N ARG A 31 2.456 8.673 1.480 1.00 0.00 N ATOM 457 CA ARG A 31 1.843 9.197 0.268 1.00 0.00 C ATOM 458 C ARG A 31 2.872 9.263 -0.857 1.00 0.00 C ATOM 459 O ARG A 31 2.580 8.851 -1.975 1.00 0.00 O ATOM 460 CB ARG A 31 1.250 10.580 0.576 1.00 0.00 C ATOM 461 CG ARG A 31 0.850 11.349 -0.688 1.00 0.00 C ATOM 462 CD ARG A 31 -0.183 10.569 -1.502 1.00 0.00 C ATOM 463 NE ARG A 31 -0.365 11.170 -2.821 1.00 0.00 N ATOM 464 CZ ARG A 31 -1.260 12.111 -3.128 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.075 12.609 -2.202 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.328 12.555 -4.380 1.00 0.00 N ATOM 0 H ARG A 31 2.499 9.330 2.259 1.00 0.00 H new ATOM 0 HA ARG A 31 1.042 8.538 -0.066 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.375 10.461 1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.978 11.166 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.442 12.321 -0.412 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.733 11.536 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.139 9.533 -1.611 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.134 10.553 -0.970 1.00 0.00 H new ATOM 0 HE ARG A 31 0.244 10.843 -3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.021 12.272 -1.241 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.754 13.328 -2.453 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.701 12.176 -5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.007 13.274 -4.630 1.00 0.00 H new ATOM 480 N ARG A 32 4.075 9.776 -0.577 1.00 0.00 N ATOM 481 CA ARG A 32 5.079 9.986 -1.615 1.00 0.00 C ATOM 482 C ARG A 32 5.830 8.704 -1.970 1.00 0.00 C ATOM 483 O ARG A 32 6.033 8.410 -3.146 1.00 0.00 O ATOM 484 CB ARG A 32 6.066 11.043 -1.114 1.00 0.00 C ATOM 485 CG ARG A 32 7.109 11.372 -2.185 1.00 0.00 C ATOM 486 CD ARG A 32 8.085 12.410 -1.644 1.00 0.00 C ATOM 487 NE ARG A 32 9.096 12.756 -2.647 1.00 0.00 N ATOM 488 CZ ARG A 32 10.047 13.672 -2.464 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.127 14.351 -1.325 1.00 0.00 N ATOM 490 NH2 ARG A 32 10.931 13.914 -3.425 1.00 0.00 N ATOM 0 H ARG A 32 4.373 10.052 0.359 1.00 0.00 H new ATOM 0 HA ARG A 32 4.574 10.315 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.525 11.948 -0.838 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.565 10.682 -0.214 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.646 10.469 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.618 11.752 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.540 13.306 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.573 12.023 -0.749 1.00 0.00 H new ATOM 0 HE ARG A 32 9.070 12.265 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.456 14.174 -0.578 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.860 15.049 -1.198 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.883 13.399 -4.304 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.658 14.615 -3.284 1.00 0.00 H new ATOM 504 N VAL A 33 6.241 7.942 -0.955 1.00 0.00 N ATOM 505 CA VAL A 33 7.020 6.723 -1.114 1.00 0.00 C ATOM 506 C VAL A 33 6.209 5.619 -1.799 1.00 0.00 C ATOM 507 O VAL A 33 6.800 4.722 -2.390 1.00 0.00 O ATOM 508 CB VAL A 33 7.540 6.261 0.258 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.322 7.378 0.953 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.397 5.743 1.109 1.00 0.00 C ATOM 0 H VAL A 33 6.035 8.164 0.019 1.00 0.00 H new ATOM 0 HA VAL A 33 7.870 6.938 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 33 8.236 5.436 0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.678 7.025 1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.173 7.665 0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.672 8.241 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.781 5.420 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.664 6.536 1.256 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.923 4.900 0.607 1.00 0.00 H new ATOM 520 N PHE A 34 4.871 5.679 -1.736 1.00 0.00 N ATOM 521 CA PHE A 34 4.013 4.745 -2.462 1.00 0.00 C ATOM 522 C PHE A 34 3.503 5.327 -3.782 1.00 0.00 C ATOM 523 O PHE A 34 3.032 4.576 -4.636 1.00 0.00 O ATOM 524 CB PHE A 34 2.818 4.344 -1.602 1.00 0.00 C ATOM 525 CG PHE A 34 3.124 3.241 -0.615 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.701 3.536 0.628 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.832 1.912 -0.959 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.026 2.493 1.507 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.150 0.876 -0.074 1.00 0.00 C ATOM 530 CZ PHE A 34 3.758 1.163 1.157 1.00 0.00 C ATOM 0 H PHE A 34 4.362 6.370 -1.185 1.00 0.00 H new ATOM 0 HA PHE A 34 4.624 3.872 -2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.463 5.219 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.005 4.022 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.894 4.561 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.362 1.689 -1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.485 2.716 2.459 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.927 -0.147 -0.339 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.019 0.362 1.833 1.00 0.00 H new ATOM 540 N GLU A 35 3.585 6.649 -3.974 1.00 0.00 N ATOM 541 CA GLU A 35 3.140 7.268 -5.214 1.00 0.00 C ATOM 542 C GLU A 35 3.901 6.704 -6.413 1.00 0.00 C ATOM 543 O GLU A 35 3.359 6.628 -7.514 1.00 0.00 O ATOM 544 CB GLU A 35 3.357 8.783 -5.142 1.00 0.00 C ATOM 545 CG GLU A 35 2.540 9.540 -6.195 1.00 0.00 C ATOM 546 CD GLU A 35 1.071 9.655 -5.783 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.372 8.618 -5.797 1.00 0.00 O ATOM 548 OE2 GLU A 35 0.654 10.789 -5.455 1.00 0.00 O ATOM 0 H GLU A 35 3.955 7.303 -3.285 1.00 0.00 H new ATOM 0 HA GLU A 35 2.080 7.050 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.084 9.140 -4.149 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.416 9.003 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.959 10.536 -6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.612 9.025 -7.153 1.00 0.00 H new ATOM 555 N LYS A 36 5.163 6.312 -6.200 1.00 0.00 N ATOM 556 CA LYS A 36 6.040 5.844 -7.268 1.00 0.00 C ATOM 557 C LYS A 36 5.569 4.520 -7.864 1.00 0.00 C ATOM 558 O LYS A 36 5.924 4.186 -8.992 1.00 0.00 O ATOM 559 CB LYS A 36 7.464 5.710 -6.718 1.00 0.00 C ATOM 560 CG LYS A 36 7.617 4.501 -5.788 1.00 0.00 C ATOM 561 CD LYS A 36 9.049 4.390 -5.259 1.00 0.00 C ATOM 562 CE LYS A 36 9.418 5.607 -4.408 1.00 0.00 C ATOM 563 NZ LYS A 36 10.782 5.470 -3.849 1.00 0.00 N ATOM 0 H LYS A 36 5.601 6.312 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 36 6.017 6.575 -8.076 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.165 5.618 -7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.729 6.618 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.923 4.591 -4.952 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.353 3.590 -6.325 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.151 3.482 -4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.743 4.303 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.359 6.511 -5.015 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.698 5.720 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.008 6.308 -3.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.829 4.620 -3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.469 5.386 -4.626 1.00 0.00 H new ATOM 577 N TYR A 37 4.776 3.767 -7.101 1.00 0.00 N ATOM 578 CA TYR A 37 4.227 2.494 -7.552 1.00 0.00 C ATOM 579 C TYR A 37 3.073 2.719 -8.521 1.00 0.00 C ATOM 580 O TYR A 37 2.635 1.779 -9.184 1.00 0.00 O ATOM 581 CB TYR A 37 3.810 1.661 -6.342 1.00 0.00 C ATOM 582 CG TYR A 37 5.008 1.257 -5.520 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.585 2.172 -4.629 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.556 -0.024 -5.670 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.728 1.820 -3.902 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.700 -0.381 -4.947 1.00 0.00 C ATOM 587 CZ TYR A 37 7.300 0.542 -4.068 1.00 0.00 C ATOM 588 OH TYR A 37 8.429 0.196 -3.387 1.00 0.00 O ATOM 0 H TYR A 37 4.498 4.025 -6.154 1.00 0.00 H new ATOM 0 HA TYR A 37 4.991 1.939 -8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.118 2.233 -5.724 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.278 0.770 -6.676 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.147 3.151 -4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.097 -0.734 -6.342 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.171 2.526 -3.215 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.124 -1.367 -5.063 1.00 0.00 H new ATOM 0 HH TYR A 37 8.684 -0.721 -3.621 1.00 0.00 H new ATOM 598 N GLY A 38 2.581 3.959 -8.612 1.00 0.00 N ATOM 599 CA GLY A 38 1.615 4.325 -9.626 1.00 0.00 C ATOM 600 C GLY A 38 0.769 5.500 -9.178 1.00 0.00 C ATOM 601 O GLY A 38 0.939 6.615 -9.669 1.00 0.00 O ATOM 0 H GLY A 38 2.844 4.722 -7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.133 4.578 -10.551 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.972 3.472 -9.844 1.00 0.00 H new ATOM 605 N ARG A 39 -0.145 5.231 -8.242 1.00 0.00 N ATOM 606 CA ARG A 39 -1.036 6.236 -7.688 1.00 0.00 C ATOM 607 C ARG A 39 -1.677 5.688 -6.417 1.00 0.00 C ATOM 608 O ARG A 39 -2.459 4.740 -6.471 1.00 0.00 O ATOM 609 CB ARG A 39 -2.084 6.596 -8.746 1.00 0.00 C ATOM 610 CG ARG A 39 -3.062 5.457 -9.047 1.00 0.00 C ATOM 611 CD ARG A 39 -3.639 5.563 -10.455 1.00 0.00 C ATOM 612 NE ARG A 39 -2.649 5.148 -11.451 1.00 0.00 N ATOM 613 CZ ARG A 39 -2.277 5.852 -12.521 1.00 0.00 C ATOM 614 NH1 ARG A 39 -2.805 7.046 -12.779 1.00 0.00 N ATOM 615 NH2 ARG A 39 -1.360 5.354 -13.346 1.00 0.00 N ATOM 0 H ARG A 39 -0.283 4.300 -7.849 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.491 7.142 -7.423 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.646 7.467 -8.408 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.576 6.881 -9.667 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.552 4.500 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.874 5.473 -8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.529 4.939 -10.537 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.950 6.589 -10.650 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.205 4.240 -11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.508 7.439 -12.153 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.507 7.568 -13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.947 4.440 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.070 5.886 -14.167 1.00 0.00 H new ATOM 629 N VAL A 40 -1.358 6.260 -5.256 1.00 0.00 N ATOM 630 CA VAL A 40 -2.079 5.869 -4.054 1.00 0.00 C ATOM 631 C VAL A 40 -3.520 6.337 -4.253 1.00 0.00 C ATOM 632 O VAL A 40 -3.757 7.485 -4.632 1.00 0.00 O ATOM 633 CB VAL A 40 -1.453 6.428 -2.768 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.071 6.318 -2.813 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.842 7.876 -2.457 1.00 0.00 C ATOM 0 H VAL A 40 -0.634 6.967 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.033 4.789 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.858 5.812 -1.965 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.492 6.720 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.357 5.271 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.452 6.884 -3.663 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.357 8.193 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.522 8.522 -3.274 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.924 7.945 -2.341 1.00 0.00 H new ATOM 645 N GLY A 41 -4.493 5.467 -4.004 1.00 0.00 N ATOM 646 CA GLY A 41 -5.888 5.839 -4.116 1.00 0.00 C ATOM 647 C GLY A 41 -6.318 6.605 -2.869 1.00 0.00 C ATOM 648 O GLY A 41 -7.272 7.373 -2.916 1.00 0.00 O ATOM 0 H GLY A 41 -4.335 4.499 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.040 6.454 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.503 4.948 -4.237 1.00 0.00 H new ATOM 652 N ASP A 42 -5.604 6.389 -1.758 1.00 0.00 N ATOM 653 CA ASP A 42 -5.882 7.061 -0.502 1.00 0.00 C ATOM 654 C ASP A 42 -4.739 6.843 0.495 1.00 0.00 C ATOM 655 O ASP A 42 -3.834 6.050 0.241 1.00 0.00 O ATOM 656 CB ASP A 42 -7.176 6.491 0.081 1.00 0.00 C ATOM 657 CG ASP A 42 -7.738 7.364 1.196 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.394 8.565 1.222 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.513 6.819 2.015 1.00 0.00 O ATOM 0 H ASP A 42 -4.818 5.741 -1.714 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.982 8.131 -0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.918 6.394 -0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.989 5.489 0.466 1.00 0.00 H new ATOM 664 N VAL A 43 -4.791 7.548 1.628 1.00 0.00 N ATOM 665 CA VAL A 43 -3.806 7.451 2.695 1.00 0.00 C ATOM 666 C VAL A 43 -4.464 7.866 4.012 1.00 0.00 C ATOM 667 O VAL A 43 -5.122 8.903 4.075 1.00 0.00 O ATOM 668 CB VAL A 43 -2.586 8.323 2.347 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.009 9.683 1.785 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.670 8.518 3.558 1.00 0.00 C ATOM 0 H VAL A 43 -5.537 8.215 1.828 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.450 6.427 2.806 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.028 7.791 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.122 10.272 1.551 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.596 9.535 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.610 10.211 2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.820 9.138 3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.225 9.006 4.359 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.312 7.548 3.904 1.00 0.00 H new ATOM 680 N TYR A 44 -4.290 7.058 5.063 1.00 0.00 N ATOM 681 CA TYR A 44 -4.928 7.316 6.347 1.00 0.00 C ATOM 682 C TYR A 44 -4.143 6.745 7.533 1.00 0.00 C ATOM 683 O TYR A 44 -3.300 5.867 7.362 1.00 0.00 O ATOM 684 CB TYR A 44 -6.344 6.739 6.325 1.00 0.00 C ATOM 685 CG TYR A 44 -7.225 7.374 7.375 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.412 8.764 7.373 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.848 6.578 8.343 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.226 9.365 8.341 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.671 7.172 9.309 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.865 8.567 9.309 1.00 0.00 C ATOM 691 OH TYR A 44 -9.670 9.144 10.240 1.00 0.00 O ATOM 0 H TYR A 44 -3.710 6.219 5.044 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.956 8.396 6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.784 6.893 5.340 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.300 5.662 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.927 9.372 6.623 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.695 5.509 8.345 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.363 10.436 8.345 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.157 6.560 10.054 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.765 8.543 11.008 1.00 0.00 H new ATOM 701 N ILE A 45 -4.433 7.257 8.735 1.00 0.00 N ATOM 702 CA ILE A 45 -3.912 6.764 10.009 1.00 0.00 C ATOM 703 C ILE A 45 -5.026 6.949 11.050 1.00 0.00 C ATOM 704 O ILE A 45 -5.178 8.038 11.599 1.00 0.00 O ATOM 705 CB ILE A 45 -2.634 7.502 10.430 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.508 7.212 9.432 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.228 7.011 11.825 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.167 7.797 9.874 1.00 0.00 C ATOM 0 H ILE A 45 -5.059 8.054 8.848 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.634 5.714 9.919 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.815 8.577 10.447 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.407 6.134 9.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.776 7.622 8.458 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.320 7.525 12.142 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.030 7.222 12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.045 5.937 11.794 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.595 7.562 9.131 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.257 8.879 9.972 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.118 7.368 10.834 1.00 0.00 H new ATOM 720 N PRO A 46 -5.803 5.893 11.319 1.00 0.00 N ATOM 721 CA PRO A 46 -7.001 5.919 12.149 1.00 0.00 C ATOM 722 C PRO A 46 -6.863 6.429 13.579 1.00 0.00 C ATOM 723 O PRO A 46 -7.878 6.595 14.250 1.00 0.00 O ATOM 724 CB PRO A 46 -7.506 4.478 12.176 1.00 0.00 C ATOM 725 CG PRO A 46 -6.930 3.860 10.908 1.00 0.00 C ATOM 726 CD PRO A 46 -5.593 4.566 10.770 1.00 0.00 C ATOM 0 HA PRO A 46 -7.677 6.647 11.700 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.164 3.952 13.067 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.595 4.437 12.180 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.810 2.781 11.002 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.572 4.035 10.044 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.810 4.035 11.312 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.281 4.617 9.727 1.00 0.00 H new ATOM 734 N ARG A 47 -5.638 6.675 14.045 1.00 0.00 N ATOM 735 CA ARG A 47 -5.346 7.041 15.429 1.00 0.00 C ATOM 736 C ARG A 47 -6.355 6.400 16.397 1.00 0.00 C ATOM 737 O ARG A 47 -6.421 5.174 16.485 1.00 0.00 O ATOM 738 CB ARG A 47 -5.314 8.569 15.569 1.00 0.00 C ATOM 739 CG ARG A 47 -4.007 9.205 15.096 1.00 0.00 C ATOM 740 CD ARG A 47 -2.814 8.703 15.913 1.00 0.00 C ATOM 741 NE ARG A 47 -1.753 9.718 15.990 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.013 10.148 14.966 1.00 0.00 C ATOM 743 NH1 ARG A 47 -1.193 9.664 13.743 1.00 0.00 N ATOM 744 NH2 ARG A 47 -0.081 11.074 15.169 1.00 0.00 N ATOM 0 H ARG A 47 -4.805 6.624 13.458 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.363 6.654 15.696 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.141 8.994 15.000 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.478 8.832 16.614 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.850 8.976 14.042 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.077 10.289 15.180 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.144 8.442 16.919 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.418 7.794 15.461 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.566 10.129 16.905 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.905 8.953 13.576 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.619 10.003 12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.066 11.453 16.104 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.487 11.406 14.389 1.00 0.00 H new ATOM 758 N ASP A 48 -7.128 7.224 17.116 1.00 0.00 N ATOM 759 CA ASP A 48 -8.104 6.771 18.096 1.00 0.00 C ATOM 760 C ASP A 48 -9.363 7.639 18.083 1.00 0.00 C ATOM 761 O ASP A 48 -10.247 7.461 18.914 1.00 0.00 O ATOM 762 CB ASP A 48 -7.488 6.828 19.495 1.00 0.00 C ATOM 763 CG ASP A 48 -6.100 6.200 19.565 1.00 0.00 C ATOM 764 OD1 ASP A 48 -5.134 6.912 19.214 1.00 0.00 O ATOM 765 OD2 ASP A 48 -6.028 5.015 19.960 1.00 0.00 O ATOM 0 H ASP A 48 -7.087 8.239 17.026 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.383 5.750 17.837 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.426 7.868 19.816 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.147 6.317 20.197 1.00 0.00 H new ATOM 770 N ARG A 49 -9.422 8.574 17.136 1.00 0.00 N ATOM 771 CA ARG A 49 -10.398 9.657 16.980 1.00 0.00 C ATOM 772 C ARG A 49 -10.773 10.410 18.264 1.00 0.00 C ATOM 773 O ARG A 49 -11.686 11.239 18.235 1.00 0.00 O ATOM 774 CB ARG A 49 -11.613 9.188 16.170 1.00 0.00 C ATOM 775 CG ARG A 49 -12.723 8.560 17.022 1.00 0.00 C ATOM 776 CD ARG A 49 -13.931 8.198 16.156 1.00 0.00 C ATOM 777 NE ARG A 49 -14.350 9.331 15.323 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.239 10.257 15.689 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.860 10.184 16.864 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.512 11.270 14.867 1.00 0.00 N ATOM 0 H ARG A 49 -8.726 8.597 16.390 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.883 10.426 16.404 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.024 10.038 15.625 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.284 8.462 15.427 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.345 7.667 17.519 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.026 9.256 17.804 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.683 7.348 15.520 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.758 7.888 16.794 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.931 9.417 14.397 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.659 9.412 17.500 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.537 10.900 17.129 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.043 11.335 13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.190 11.981 15.141 1.00 0.00 H new ATOM 794 N TYR A 50 -10.091 10.153 19.383 1.00 0.00 N ATOM 795 CA TYR A 50 -10.361 10.844 20.645 1.00 0.00 C ATOM 796 C TYR A 50 -9.095 11.104 21.455 1.00 0.00 C ATOM 797 O TYR A 50 -9.092 11.988 22.310 1.00 0.00 O ATOM 798 CB TYR A 50 -11.274 9.995 21.535 1.00 0.00 C ATOM 799 CG TYR A 50 -12.583 9.563 20.924 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.669 10.447 20.873 1.00 0.00 C ATOM 801 CD2 TYR A 50 -12.712 8.261 20.432 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.893 10.015 20.343 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.928 7.820 19.905 1.00 0.00 C ATOM 804 CZ TYR A 50 -15.029 8.700 19.858 1.00 0.00 C ATOM 805 OH TYR A 50 -16.218 8.275 19.343 1.00 0.00 O ATOM 0 H TYR A 50 -9.341 9.464 19.439 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.824 11.791 20.368 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.725 9.103 21.837 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.489 10.559 22.443 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.564 11.457 21.240 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.865 7.591 20.460 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.733 10.692 20.307 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.025 6.810 19.535 1.00 0.00 H new ATOM 0 HH TYR A 50 -16.135 7.342 19.054 1.00 0.00 H new ATOM 815 N THR A 51 -8.021 10.353 21.199 1.00 0.00 N ATOM 816 CA THR A 51 -6.810 10.446 22.000 1.00 0.00 C ATOM 817 C THR A 51 -5.574 10.641 21.121 1.00 0.00 C ATOM 818 O THR A 51 -4.503 10.962 21.630 1.00 0.00 O ATOM 819 CB THR A 51 -6.691 9.195 22.877 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.345 8.088 22.076 1.00 0.00 O ATOM 821 CG2 THR A 51 -8.021 8.879 23.571 1.00 0.00 C ATOM 0 H THR A 51 -7.971 9.674 20.440 1.00 0.00 H new ATOM 0 HA THR A 51 -6.872 11.323 22.644 1.00 0.00 H new ATOM 0 HB THR A 51 -5.926 9.387 23.629 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.267 7.289 22.638 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.907 7.987 24.187 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.311 9.720 24.201 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.791 8.706 22.820 1.00 0.00 H new ATOM 828 N LYS A 52 -5.739 10.451 19.803 1.00 0.00 N ATOM 829 CA LYS A 52 -4.744 10.770 18.784 1.00 0.00 C ATOM 830 C LYS A 52 -3.318 10.343 19.147 1.00 0.00 C ATOM 831 O LYS A 52 -2.379 11.119 18.946 1.00 0.00 O ATOM 832 CB LYS A 52 -4.818 12.268 18.445 1.00 0.00 C ATOM 833 CG LYS A 52 -6.224 12.653 17.982 1.00 0.00 C ATOM 834 CD LYS A 52 -6.270 14.112 17.514 1.00 0.00 C ATOM 835 CE LYS A 52 -5.893 15.089 18.630 1.00 0.00 C ATOM 836 NZ LYS A 52 -6.861 15.050 19.743 1.00 0.00 N ATOM 0 H LYS A 52 -6.596 10.059 19.412 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.992 10.181 17.901 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.545 12.857 19.320 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.096 12.504 17.664 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.535 11.997 17.169 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.932 12.507 18.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.589 14.244 16.673 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.272 14.345 17.153 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.899 14.847 19.005 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -5.844 16.100 18.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.629 15.795 20.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.821 15.206 19.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.816 14.122 20.210 1.00 0.00 H new ATOM 850 N GLU A 53 -3.139 9.131 19.679 1.00 0.00 N ATOM 851 CA GLU A 53 -1.821 8.687 20.126 1.00 0.00 C ATOM 852 C GLU A 53 -1.510 7.236 19.753 1.00 0.00 C ATOM 853 O GLU A 53 -0.495 6.701 20.197 1.00 0.00 O ATOM 854 CB GLU A 53 -1.687 8.905 21.637 1.00 0.00 C ATOM 855 CG GLU A 53 -2.686 8.053 22.424 1.00 0.00 C ATOM 856 CD GLU A 53 -2.490 8.242 23.926 1.00 0.00 C ATOM 857 OE1 GLU A 53 -1.681 7.478 24.504 1.00 0.00 O ATOM 858 OE2 GLU A 53 -3.146 9.146 24.488 1.00 0.00 O ATOM 0 H GLU A 53 -3.884 8.447 19.809 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.083 9.293 19.600 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.673 8.659 21.951 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.846 9.958 21.868 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.704 8.328 22.147 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.559 7.002 22.165 1.00 0.00 H new ATOM 865 N SER A 54 -2.355 6.575 18.949 1.00 0.00 N ATOM 866 CA SER A 54 -2.089 5.196 18.549 1.00 0.00 C ATOM 867 C SER A 54 -0.789 5.111 17.756 1.00 0.00 C ATOM 868 O SER A 54 -0.004 4.185 17.955 1.00 0.00 O ATOM 869 CB SER A 54 -3.255 4.679 17.710 1.00 0.00 C ATOM 870 OG SER A 54 -3.012 3.347 17.310 1.00 0.00 O ATOM 0 H SER A 54 -3.215 6.971 18.570 1.00 0.00 H new ATOM 0 HA SER A 54 -1.984 4.579 19.441 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.179 4.731 18.286 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.390 5.311 16.833 1.00 0.00 H new ATOM 0 HG SER A 54 -3.766 3.024 16.774 1.00 0.00 H new ATOM 876 N ARG A 55 -0.586 6.091 16.865 1.00 0.00 N ATOM 877 CA ARG A 55 0.584 6.298 16.015 1.00 0.00 C ATOM 878 C ARG A 55 1.520 5.095 15.939 1.00 0.00 C ATOM 879 O ARG A 55 2.653 5.149 16.414 1.00 0.00 O ATOM 880 CB ARG A 55 1.335 7.544 16.479 1.00 0.00 C ATOM 881 CG ARG A 55 2.182 8.060 15.319 1.00 0.00 C ATOM 882 CD ARG A 55 3.171 9.106 15.819 1.00 0.00 C ATOM 883 NE ARG A 55 3.743 9.880 14.712 1.00 0.00 N ATOM 884 CZ ARG A 55 4.489 9.384 13.717 1.00 0.00 C ATOM 885 NH1 ARG A 55 4.832 8.099 13.685 1.00 0.00 N ATOM 886 NH2 ARG A 55 4.903 10.181 12.737 1.00 0.00 N ATOM 0 H ARG A 55 -1.291 6.812 16.712 1.00 0.00 H new ATOM 0 HA ARG A 55 0.214 6.437 14.999 1.00 0.00 H new ATOM 0 HB2 ARG A 55 0.632 8.311 16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.968 7.308 17.334 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.719 7.233 14.854 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.539 8.493 14.553 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.669 9.780 16.514 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.972 8.616 16.373 1.00 0.00 H new ATOM 0 HE ARG A 55 3.556 10.883 14.699 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.526 7.471 14.428 1.00 0.00 H new ATOM 0 HH12 ARG A 55 5.401 7.742 12.917 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.652 11.170 12.743 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.471 9.804 11.979 1.00 0.00 H new ATOM 900 N GLY A 56 1.041 4.009 15.333 1.00 0.00 N ATOM 901 CA GLY A 56 1.815 2.781 15.210 1.00 0.00 C ATOM 902 C GLY A 56 1.522 2.009 13.923 1.00 0.00 C ATOM 903 O GLY A 56 2.157 0.986 13.675 1.00 0.00 O ATOM 0 H GLY A 56 0.111 3.959 14.917 1.00 0.00 H new ATOM 0 HA2 GLY A 56 2.877 3.024 15.246 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.605 2.140 16.066 1.00 0.00 H new ATOM 907 N PHE A 57 0.574 2.479 13.108 1.00 0.00 N ATOM 908 CA PHE A 57 0.256 1.863 11.832 1.00 0.00 C ATOM 909 C PHE A 57 -0.368 2.896 10.897 1.00 0.00 C ATOM 910 O PHE A 57 -0.557 4.053 11.275 1.00 0.00 O ATOM 911 CB PHE A 57 -0.671 0.670 12.045 1.00 0.00 C ATOM 912 CG PHE A 57 -2.086 1.060 12.381 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.420 1.481 13.673 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.066 1.010 11.379 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.733 1.860 13.966 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.381 1.393 11.672 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.715 1.814 12.967 1.00 0.00 C ATOM 0 H PHE A 57 0.008 3.300 13.322 1.00 0.00 H new ATOM 0 HA PHE A 57 1.171 1.497 11.366 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.676 0.058 11.143 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.273 0.050 12.848 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.664 1.513 14.443 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.808 0.677 10.385 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.991 2.188 14.962 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.137 1.364 10.901 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.730 2.103 13.195 1.00 0.00 H new ATOM 927 N ALA A 58 -0.691 2.472 9.674 1.00 0.00 N ATOM 928 CA ALA A 58 -1.304 3.331 8.676 1.00 0.00 C ATOM 929 C ALA A 58 -2.221 2.514 7.773 1.00 0.00 C ATOM 930 O ALA A 58 -2.360 1.303 7.942 1.00 0.00 O ATOM 931 CB ALA A 58 -0.210 4.014 7.854 1.00 0.00 C ATOM 0 H ALA A 58 -0.531 1.517 9.353 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.904 4.094 9.172 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.668 4.659 7.104 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.420 4.613 8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.399 3.258 7.359 1.00 0.00 H new ATOM 937 N PHE A 59 -2.844 3.194 6.808 1.00 0.00 N ATOM 938 CA PHE A 59 -3.756 2.589 5.857 1.00 0.00 C ATOM 939 C PHE A 59 -3.684 3.327 4.523 1.00 0.00 C ATOM 940 O PHE A 59 -4.569 4.120 4.200 1.00 0.00 O ATOM 941 CB PHE A 59 -5.166 2.610 6.450 1.00 0.00 C ATOM 942 CG PHE A 59 -6.159 1.674 5.793 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.103 1.373 4.422 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.159 1.096 6.589 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.028 0.486 3.853 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.087 0.218 6.017 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.017 -0.100 4.656 1.00 0.00 C ATOM 0 H PHE A 59 -2.721 4.197 6.670 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.478 1.553 5.665 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.101 2.359 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.554 3.627 6.387 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.343 1.827 3.803 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.213 1.328 7.642 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.979 0.255 2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.862 -0.217 6.630 1.00 0.00 H new ATOM 0 HZ PHE A 59 -8.723 -0.795 4.225 1.00 0.00 H new ATOM 957 N VAL A 60 -2.631 3.077 3.740 1.00 0.00 N ATOM 958 CA VAL A 60 -2.583 3.597 2.370 1.00 0.00 C ATOM 959 C VAL A 60 -3.416 2.652 1.514 1.00 0.00 C ATOM 960 O VAL A 60 -3.616 1.507 1.915 1.00 0.00 O ATOM 961 CB VAL A 60 -1.143 3.672 1.849 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.058 4.362 0.487 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.261 4.456 2.811 1.00 0.00 C ATOM 0 H VAL A 60 -1.817 2.531 4.022 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.977 4.613 2.334 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.801 2.641 1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.019 4.392 0.158 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.653 3.808 -0.239 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.442 5.379 0.570 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.756 4.496 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.649 5.469 2.917 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.257 3.965 3.784 1.00 0.00 H new ATOM 973 N ARG A 61 -3.906 3.093 0.354 1.00 0.00 N ATOM 974 CA ARG A 61 -4.685 2.225 -0.520 1.00 0.00 C ATOM 975 C ARG A 61 -4.370 2.496 -1.982 1.00 0.00 C ATOM 976 O ARG A 61 -3.851 3.558 -2.321 1.00 0.00 O ATOM 977 CB ARG A 61 -6.190 2.363 -0.216 1.00 0.00 C ATOM 978 CG ARG A 61 -7.001 3.038 -1.333 1.00 0.00 C ATOM 979 CD ARG A 61 -8.501 3.006 -1.031 1.00 0.00 C ATOM 980 NE ARG A 61 -8.831 3.846 0.125 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.080 3.391 1.353 1.00 0.00 C ATOM 982 NH1 ARG A 61 -9.087 2.091 1.630 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.326 4.259 2.325 1.00 0.00 N ATOM 0 H ARG A 61 -3.776 4.042 0.002 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.404 1.191 -0.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.604 1.372 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.312 2.936 0.703 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.674 4.071 -1.449 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.808 2.534 -2.280 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.057 3.350 -1.903 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.813 1.980 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.873 4.855 -0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.898 1.412 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.281 1.773 2.580 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.323 5.260 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.518 3.926 3.270 1.00 0.00 H new ATOM 997 N PHE A 62 -4.698 1.525 -2.837 1.00 0.00 N ATOM 998 CA PHE A 62 -4.695 1.679 -4.289 1.00 0.00 C ATOM 999 C PHE A 62 -6.043 1.238 -4.831 1.00 0.00 C ATOM 1000 O PHE A 62 -6.821 0.606 -4.117 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.579 0.856 -4.931 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.191 1.300 -4.535 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.727 1.027 -3.242 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.374 1.981 -5.448 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.441 1.420 -2.859 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.081 2.366 -5.068 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.385 2.077 -3.779 1.00 0.00 C ATOM 0 H PHE A 62 -4.978 0.593 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.516 2.726 -4.533 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.708 -0.191 -4.656 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.674 0.915 -6.015 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.364 0.511 -2.539 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.739 2.208 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.087 1.218 -1.859 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.556 2.885 -5.769 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.387 2.362 -3.493 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.310 1.567 -6.097 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.602 1.321 -6.722 1.00 0.00 C ATOM 1019 C HIS A 63 -7.471 0.829 -8.158 1.00 0.00 C ATOM 1020 O HIS A 63 -8.454 0.794 -8.894 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.439 2.595 -6.653 1.00 0.00 C ATOM 1022 CG HIS A 63 -7.935 3.700 -7.546 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -8.513 4.069 -8.762 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -6.855 4.496 -7.298 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -7.765 5.090 -9.213 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -6.767 5.369 -8.355 1.00 0.00 N ATOM 0 H HIS A 63 -5.632 2.012 -6.715 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.100 0.522 -6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -9.467 2.359 -6.927 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -8.457 2.952 -5.623 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -9.328 3.653 -9.212 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.200 4.449 -6.441 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -7.941 5.616 -10.140 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.259 0.452 -8.554 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.006 -0.153 -9.855 1.00 0.00 C ATOM 1036 C ASP A 64 -5.114 -1.373 -9.671 1.00 0.00 C ATOM 1037 O ASP A 64 -4.133 -1.326 -8.929 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.378 0.869 -10.804 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.255 0.307 -12.215 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.431 -0.616 -12.405 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.986 0.796 -13.108 1.00 0.00 O ATOM 0 H ASP A 64 -5.423 0.558 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.945 -0.475 -10.304 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.985 1.774 -10.822 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.392 1.154 -10.436 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.458 -2.471 -10.352 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.809 -3.757 -10.135 1.00 0.00 C ATOM 1048 C LYS A 65 -3.326 -3.727 -10.476 1.00 0.00 C ATOM 1049 O LYS A 65 -2.540 -4.371 -9.786 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.499 -4.836 -10.973 1.00 0.00 C ATOM 1051 CG LYS A 65 -6.957 -5.009 -10.535 1.00 0.00 C ATOM 1052 CD LYS A 65 -7.611 -6.169 -11.290 1.00 0.00 C ATOM 1053 CE LYS A 65 -7.598 -5.921 -12.798 1.00 0.00 C ATOM 1054 NZ LYS A 65 -8.250 -7.026 -13.529 1.00 0.00 N ATOM 0 H LYS A 65 -6.189 -2.488 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.899 -3.985 -9.073 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.460 -4.565 -12.028 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.967 -5.782 -10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.001 -5.196 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.510 -4.089 -10.721 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.083 -7.096 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.638 -6.296 -10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.109 -4.984 -13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.569 -5.812 -13.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.226 -6.829 -14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.746 -7.915 -13.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.238 -7.113 -13.217 1.00 0.00 H new ATOM 1068 N ARG A 66 -2.917 -2.996 -11.520 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.527 -3.058 -11.954 1.00 0.00 C ATOM 1070 C ARG A 66 -0.609 -2.412 -10.920 1.00 0.00 C ATOM 1071 O ARG A 66 0.471 -2.927 -10.634 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.402 -2.420 -13.347 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.247 -0.898 -13.303 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.598 -0.278 -14.654 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.055 -0.154 -14.792 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.695 0.177 -15.911 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.028 0.382 -17.047 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.016 0.309 -15.897 1.00 0.00 N ATOM 0 H ARG A 66 -3.514 -2.373 -12.063 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.208 -4.097 -12.036 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.543 -2.851 -13.861 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.285 -2.672 -13.935 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.893 -0.484 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.223 -0.640 -13.034 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.132 0.703 -14.744 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.200 -0.895 -15.460 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.622 -0.336 -13.964 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.013 0.286 -17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.533 0.635 -17.896 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.535 0.157 -15.032 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.512 0.563 -16.751 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.047 -1.284 -10.358 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.271 -0.566 -9.363 1.00 0.00 C ATOM 1094 C ASP A 67 -0.368 -1.277 -8.019 1.00 0.00 C ATOM 1095 O ASP A 67 0.563 -1.217 -7.219 1.00 0.00 O ATOM 1096 CB ASP A 67 -0.805 0.867 -9.238 1.00 0.00 C ATOM 1097 CG ASP A 67 -0.706 1.649 -10.551 1.00 0.00 C ATOM 1098 OD1 ASP A 67 0.217 1.355 -11.342 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.559 2.541 -10.756 1.00 0.00 O ATOM 0 H ASP A 67 -1.943 -0.851 -10.582 1.00 0.00 H new ATOM 0 HA ASP A 67 0.774 -0.536 -9.670 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.846 0.836 -8.915 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.247 1.393 -8.463 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.494 -1.954 -7.767 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.702 -2.651 -6.510 1.00 0.00 C ATOM 1106 C ALA A 68 -0.886 -3.940 -6.440 1.00 0.00 C ATOM 1107 O ALA A 68 -0.355 -4.277 -5.383 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.191 -2.967 -6.377 1.00 0.00 C ATOM 0 H ALA A 68 -2.271 -2.029 -8.423 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.370 -2.013 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.369 -3.491 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.762 -2.039 -6.388 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.505 -3.597 -7.210 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.776 -4.674 -7.554 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.032 -5.923 -7.555 1.00 0.00 C ATOM 1116 C GLU A 69 1.464 -5.657 -7.436 1.00 0.00 C ATOM 1117 O GLU A 69 2.181 -6.452 -6.831 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.326 -6.733 -8.816 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.749 -7.296 -8.788 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.004 -8.168 -10.016 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -2.432 -7.606 -11.052 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -1.770 -9.396 -9.913 1.00 0.00 O ATOM 0 H GLU A 69 -1.190 -4.422 -8.452 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.353 -6.505 -6.691 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.198 -6.102 -9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.390 -7.550 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.896 -7.883 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.469 -6.478 -8.759 1.00 0.00 H new ATOM 1129 N ASP A 70 1.958 -4.548 -7.999 1.00 0.00 N ATOM 1130 CA ASP A 70 3.364 -4.205 -7.831 1.00 0.00 C ATOM 1131 C ASP A 70 3.628 -3.702 -6.412 1.00 0.00 C ATOM 1132 O ASP A 70 4.671 -4.001 -5.825 1.00 0.00 O ATOM 1133 CB ASP A 70 3.758 -3.110 -8.821 1.00 0.00 C ATOM 1134 CG ASP A 70 3.869 -3.615 -10.260 1.00 0.00 C ATOM 1135 OD1 ASP A 70 4.076 -4.833 -10.444 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.739 -2.770 -11.178 1.00 0.00 O ATOM 0 H ASP A 70 1.416 -3.891 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 70 3.956 -5.102 -8.014 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.021 -2.308 -8.779 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.713 -2.681 -8.518 1.00 0.00 H new ATOM 1141 N ALA A 71 2.685 -2.936 -5.859 1.00 0.00 N ATOM 1142 CA ALA A 71 2.854 -2.347 -4.545 1.00 0.00 C ATOM 1143 C ALA A 71 3.083 -3.418 -3.486 1.00 0.00 C ATOM 1144 O ALA A 71 3.852 -3.194 -2.559 1.00 0.00 O ATOM 1145 CB ALA A 71 1.631 -1.501 -4.206 1.00 0.00 C ATOM 0 H ALA A 71 1.797 -2.713 -6.309 1.00 0.00 H new ATOM 0 HA ALA A 71 3.738 -1.709 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.758 -1.058 -3.218 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.519 -0.710 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.741 -2.130 -4.210 1.00 0.00 H new ATOM 1151 N MET A 72 2.432 -4.580 -3.610 1.00 0.00 N ATOM 1152 CA MET A 72 2.613 -5.633 -2.617 1.00 0.00 C ATOM 1153 C MET A 72 3.795 -6.525 -2.997 1.00 0.00 C ATOM 1154 O MET A 72 4.442 -7.086 -2.116 1.00 0.00 O ATOM 1155 CB MET A 72 1.336 -6.460 -2.475 1.00 0.00 C ATOM 1156 CG MET A 72 1.108 -7.293 -3.730 1.00 0.00 C ATOM 1157 SD MET A 72 -0.464 -8.188 -3.780 1.00 0.00 S ATOM 1158 CE MET A 72 -0.190 -9.106 -5.312 1.00 0.00 C ATOM 0 H MET A 72 1.791 -4.808 -4.370 1.00 0.00 H new ATOM 0 HA MET A 72 2.828 -5.169 -1.654 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.411 -7.112 -1.605 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.484 -5.801 -2.307 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.163 -6.636 -4.598 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.921 -8.013 -3.823 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.139 -9.239 -5.831 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.498 -8.552 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.237 -10.082 -5.080 1.00 0.00 H new ATOM 1168 N ASP A 73 4.084 -6.658 -4.294 1.00 0.00 N ATOM 1169 CA ASP A 73 5.192 -7.476 -4.761 1.00 0.00 C ATOM 1170 C ASP A 73 6.537 -6.850 -4.388 1.00 0.00 C ATOM 1171 O ASP A 73 7.577 -7.487 -4.555 1.00 0.00 O ATOM 1172 CB ASP A 73 5.084 -7.659 -6.275 1.00 0.00 C ATOM 1173 CG ASP A 73 6.167 -8.586 -6.825 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.185 -9.763 -6.408 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.968 -8.107 -7.659 1.00 0.00 O ATOM 0 H ASP A 73 3.558 -6.203 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 73 5.139 -8.450 -4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.103 -8.064 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.159 -6.687 -6.763 1.00 0.00 H new ATOM 1180 N ALA A 74 6.528 -5.610 -3.882 1.00 0.00 N ATOM 1181 CA ALA A 74 7.754 -4.917 -3.525 1.00 0.00 C ATOM 1182 C ALA A 74 7.717 -4.258 -2.145 1.00 0.00 C ATOM 1183 O ALA A 74 8.745 -3.764 -1.681 1.00 0.00 O ATOM 1184 CB ALA A 74 8.003 -3.871 -4.600 1.00 0.00 C ATOM 0 H ALA A 74 5.678 -5.072 -3.713 1.00 0.00 H new ATOM 0 HA ALA A 74 8.559 -5.650 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.918 -3.324 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.106 -4.361 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.164 -3.176 -4.633 1.00 0.00 H new ATOM 1190 N MET A 75 6.557 -4.240 -1.471 1.00 0.00 N ATOM 1191 CA MET A 75 6.463 -3.726 -0.105 1.00 0.00 C ATOM 1192 C MET A 75 5.995 -4.794 0.888 1.00 0.00 C ATOM 1193 O MET A 75 6.323 -4.690 2.067 1.00 0.00 O ATOM 1194 CB MET A 75 5.488 -2.555 -0.031 1.00 0.00 C ATOM 1195 CG MET A 75 5.965 -1.291 -0.748 1.00 0.00 C ATOM 1196 SD MET A 75 6.893 -0.165 0.323 1.00 0.00 S ATOM 1197 CE MET A 75 6.719 1.368 -0.627 1.00 0.00 C ATOM 0 H MET A 75 5.673 -4.577 -1.854 1.00 0.00 H new ATOM 0 HA MET A 75 7.469 -3.405 0.166 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.535 -2.864 -0.460 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.304 -2.317 1.017 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.592 -1.576 -1.593 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.101 -0.765 -1.155 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.535 2.199 0.054 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.635 1.555 -1.188 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.883 1.274 -1.320 1.00 0.00 H new ATOM 1207 N ASP A 76 5.241 -5.814 0.463 1.00 0.00 N ATOM 1208 CA ASP A 76 4.795 -6.816 1.415 1.00 0.00 C ATOM 1209 C ASP A 76 5.980 -7.642 1.915 1.00 0.00 C ATOM 1210 O ASP A 76 6.736 -8.201 1.123 1.00 0.00 O ATOM 1211 CB ASP A 76 3.737 -7.733 0.794 1.00 0.00 C ATOM 1212 CG ASP A 76 3.193 -8.721 1.826 1.00 0.00 C ATOM 1213 OD1 ASP A 76 2.943 -8.282 2.971 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.033 -9.909 1.465 1.00 0.00 O ATOM 0 H ASP A 76 4.939 -5.959 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 76 4.343 -6.298 2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.920 -7.133 0.394 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.171 -8.279 -0.044 1.00 0.00 H new ATOM 1219 N GLY A 77 6.137 -7.713 3.238 1.00 0.00 N ATOM 1220 CA GLY A 77 7.195 -8.491 3.873 1.00 0.00 C ATOM 1221 C GLY A 77 8.544 -7.772 3.851 1.00 0.00 C ATOM 1222 O GLY A 77 9.536 -8.317 4.333 1.00 0.00 O ATOM 0 H GLY A 77 5.530 -7.229 3.899 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.916 -8.702 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.290 -9.451 3.366 1.00 0.00 H new ATOM 1226 N ALA A 78 8.590 -6.557 3.295 1.00 0.00 N ATOM 1227 CA ALA A 78 9.809 -5.763 3.222 1.00 0.00 C ATOM 1228 C ALA A 78 10.208 -5.246 4.607 1.00 0.00 C ATOM 1229 O ALA A 78 9.566 -5.557 5.610 1.00 0.00 O ATOM 1230 CB ALA A 78 9.586 -4.610 2.243 1.00 0.00 C ATOM 0 H ALA A 78 7.777 -6.100 2.883 1.00 0.00 H new ATOM 0 HA ALA A 78 10.630 -6.385 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.492 -4.007 2.179 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.346 -5.010 1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.761 -3.990 2.593 1.00 0.00 H new ATOM 1236 N VAL A 79 11.281 -4.452 4.655 1.00 0.00 N ATOM 1237 CA VAL A 79 11.823 -3.896 5.890 1.00 0.00 C ATOM 1238 C VAL A 79 12.132 -2.415 5.687 1.00 0.00 C ATOM 1239 O VAL A 79 12.593 -2.019 4.617 1.00 0.00 O ATOM 1240 CB VAL A 79 13.086 -4.669 6.297 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.752 -4.063 7.533 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.744 -6.131 6.594 1.00 0.00 C ATOM 0 H VAL A 79 11.802 -4.176 3.823 1.00 0.00 H new ATOM 0 HA VAL A 79 11.090 -3.992 6.691 1.00 0.00 H new ATOM 0 HB VAL A 79 13.780 -4.606 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.641 -4.640 7.787 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.036 -3.031 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.054 -4.085 8.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.650 -6.665 6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.022 -6.177 7.409 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.317 -6.593 5.704 1.00 0.00 H new ATOM 1252 N LEU A 80 11.879 -1.597 6.716 1.00 0.00 N ATOM 1253 CA LEU A 80 12.115 -0.161 6.650 1.00 0.00 C ATOM 1254 C LEU A 80 13.346 0.226 7.468 1.00 0.00 C ATOM 1255 O LEU A 80 14.251 0.878 6.954 1.00 0.00 O ATOM 1256 CB LEU A 80 10.856 0.532 7.187 1.00 0.00 C ATOM 1257 CG LEU A 80 10.722 2.030 6.884 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.826 2.886 7.492 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.677 2.282 5.378 1.00 0.00 C ATOM 0 H LEU A 80 11.507 -1.916 7.611 1.00 0.00 H new ATOM 0 HA LEU A 80 12.310 0.149 5.623 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.984 0.021 6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.827 0.398 8.268 1.00 0.00 H new ATOM 0 HG LEU A 80 9.784 2.329 7.351 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.660 3.932 7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.817 2.775 8.576 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.792 2.564 7.103 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.582 3.352 5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.595 1.914 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.822 1.761 4.947 1.00 0.00 H new ATOM 1271 N ASP A 81 13.379 -0.179 8.739 1.00 0.00 N ATOM 1272 CA ASP A 81 14.488 0.146 9.629 1.00 0.00 C ATOM 1273 C ASP A 81 14.898 -1.050 10.492 1.00 0.00 C ATOM 1274 O ASP A 81 15.865 -0.968 11.246 1.00 0.00 O ATOM 1275 CB ASP A 81 14.076 1.343 10.492 1.00 0.00 C ATOM 1276 CG ASP A 81 15.221 1.846 11.364 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.263 2.229 10.792 1.00 0.00 O ATOM 1278 OD2 ASP A 81 15.046 1.842 12.604 1.00 0.00 O ATOM 0 H ASP A 81 12.644 -0.736 9.174 1.00 0.00 H new ATOM 0 HA ASP A 81 15.364 0.403 9.034 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.730 2.151 9.848 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.236 1.059 11.126 1.00 0.00 H new ATOM 1283 N GLY A 82 14.170 -2.169 10.387 1.00 0.00 N ATOM 1284 CA GLY A 82 14.494 -3.379 11.132 1.00 0.00 C ATOM 1285 C GLY A 82 13.262 -4.219 11.461 1.00 0.00 C ATOM 1286 O GLY A 82 13.399 -5.334 11.964 1.00 0.00 O ATOM 0 H GLY A 82 13.349 -2.255 9.788 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.194 -3.981 10.552 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.000 -3.106 12.058 1.00 0.00 H new ATOM 1290 N ARG A 83 12.065 -3.697 11.180 1.00 0.00 N ATOM 1291 CA ARG A 83 10.818 -4.425 11.368 1.00 0.00 C ATOM 1292 C ARG A 83 10.215 -4.771 10.009 1.00 0.00 C ATOM 1293 O ARG A 83 10.887 -4.683 8.984 1.00 0.00 O ATOM 1294 CB ARG A 83 9.852 -3.621 12.244 1.00 0.00 C ATOM 1295 CG ARG A 83 9.399 -2.334 11.555 1.00 0.00 C ATOM 1296 CD ARG A 83 8.358 -1.619 12.410 1.00 0.00 C ATOM 1297 NE ARG A 83 8.879 -1.319 13.750 1.00 0.00 N ATOM 1298 CZ ARG A 83 8.142 -0.853 14.764 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.850 -0.579 14.604 1.00 0.00 N ATOM 1300 NH2 ARG A 83 8.701 -0.659 15.956 1.00 0.00 N ATOM 0 H ARG A 83 11.939 -2.753 10.814 1.00 0.00 H new ATOM 0 HA ARG A 83 11.016 -5.360 11.892 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.981 -4.232 12.481 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.336 -3.376 13.189 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.255 -1.680 11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.980 -2.565 10.576 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.056 -0.693 11.920 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.466 -2.240 12.495 1.00 0.00 H new ATOM 0 HE ARG A 83 9.872 -1.477 13.919 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.406 -0.724 13.697 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.303 -0.224 15.388 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.690 -0.866 16.095 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.140 -0.304 16.730 1.00 0.00 H new ATOM 1314 N GLU A 84 8.949 -5.162 10.001 1.00 0.00 N ATOM 1315 CA GLU A 84 8.290 -5.668 8.810 1.00 0.00 C ATOM 1316 C GLU A 84 7.360 -4.610 8.237 1.00 0.00 C ATOM 1317 O GLU A 84 6.997 -3.658 8.923 1.00 0.00 O ATOM 1318 CB GLU A 84 7.473 -6.909 9.171 1.00 0.00 C ATOM 1319 CG GLU A 84 8.396 -8.075 9.520 1.00 0.00 C ATOM 1320 CD GLU A 84 7.601 -9.324 9.889 1.00 0.00 C ATOM 1321 OE1 GLU A 84 6.601 -9.606 9.190 1.00 0.00 O ATOM 1322 OE2 GLU A 84 7.994 -9.994 10.870 1.00 0.00 O ATOM 0 H GLU A 84 8.349 -5.136 10.825 1.00 0.00 H new ATOM 0 HA GLU A 84 9.046 -5.922 8.067 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.820 -6.689 10.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.830 -7.184 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.046 -8.293 8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.041 -7.794 10.352 1.00 0.00 H new ATOM 1329 N LEU A 85 6.983 -4.792 6.975 1.00 0.00 N ATOM 1330 CA LEU A 85 6.038 -3.942 6.275 1.00 0.00 C ATOM 1331 C LEU A 85 4.980 -4.854 5.668 1.00 0.00 C ATOM 1332 O LEU A 85 5.267 -6.010 5.355 1.00 0.00 O ATOM 1333 CB LEU A 85 6.767 -3.141 5.189 1.00 0.00 C ATOM 1334 CG LEU A 85 7.845 -2.193 5.735 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.423 -1.408 4.558 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.275 -1.215 6.760 1.00 0.00 C ATOM 0 H LEU A 85 7.338 -5.556 6.400 1.00 0.00 H new ATOM 0 HA LEU A 85 5.571 -3.225 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.229 -3.835 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.036 -2.559 4.627 1.00 0.00 H new ATOM 0 HG LEU A 85 8.612 -2.784 6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.193 -0.726 4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.860 -2.100 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.629 -0.837 4.076 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.070 -0.562 7.121 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.495 -0.613 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.853 -1.771 7.597 1.00 0.00 H new ATOM 1348 N ARG A 86 3.753 -4.350 5.499 1.00 0.00 N ATOM 1349 CA ARG A 86 2.642 -5.192 5.086 1.00 0.00 C ATOM 1350 C ARG A 86 1.755 -4.475 4.081 1.00 0.00 C ATOM 1351 O ARG A 86 1.453 -3.293 4.232 1.00 0.00 O ATOM 1352 CB ARG A 86 1.834 -5.590 6.331 1.00 0.00 C ATOM 1353 CG ARG A 86 2.572 -6.646 7.164 1.00 0.00 C ATOM 1354 CD ARG A 86 2.694 -7.969 6.404 1.00 0.00 C ATOM 1355 NE ARG A 86 3.715 -8.836 6.993 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.372 -9.778 6.309 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.111 -9.999 5.023 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.301 -10.512 6.916 1.00 0.00 N ATOM 0 H ARG A 86 3.512 -3.369 5.642 1.00 0.00 H new ATOM 0 HA ARG A 86 3.031 -6.085 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.647 -4.707 6.943 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.862 -5.979 6.027 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.566 -6.279 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.040 -6.810 8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.733 -8.482 6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.943 -7.769 5.362 1.00 0.00 H new ATOM 0 HE ARG A 86 3.938 -8.715 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.400 -9.446 4.544 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.622 -10.722 4.516 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.511 -10.356 7.902 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.803 -11.231 6.396 1.00 0.00 H new ATOM 1372 N VAL A 87 1.346 -5.221 3.053 1.00 0.00 N ATOM 1373 CA VAL A 87 0.519 -4.724 1.964 1.00 0.00 C ATOM 1374 C VAL A 87 -0.296 -5.888 1.403 1.00 0.00 C ATOM 1375 O VAL A 87 0.277 -6.906 1.017 1.00 0.00 O ATOM 1376 CB VAL A 87 1.409 -4.165 0.849 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.536 -3.603 -0.271 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.325 -3.066 1.377 1.00 0.00 C ATOM 0 H VAL A 87 1.588 -6.207 2.957 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.138 -3.936 2.333 1.00 0.00 H new ATOM 0 HB VAL A 87 2.028 -4.977 0.467 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.171 -3.206 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.094 -4.396 -0.674 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.093 -2.805 0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.945 -2.688 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.722 -2.253 1.782 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.963 -3.471 2.162 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.624 -5.749 1.355 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.500 -6.782 0.819 1.00 0.00 C ATOM 1390 C GLN A 88 -3.889 -6.206 0.539 1.00 0.00 C ATOM 1391 O GLN A 88 -4.214 -5.112 0.996 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.613 -7.963 1.798 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.178 -7.573 3.170 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.182 -6.784 4.009 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.085 -7.254 4.301 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.555 -5.571 4.404 1.00 0.00 N ATOM 0 H GLN A 88 -2.116 -4.919 1.686 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.068 -7.143 -0.114 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.250 -8.730 1.357 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.627 -8.407 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.082 -6.980 3.032 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.468 -8.475 3.709 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.473 -5.210 4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.923 -5.001 4.967 1.00 0.00 H new ATOM 1405 N MET A 89 -4.710 -6.945 -0.217 1.00 0.00 N ATOM 1406 CA MET A 89 -6.040 -6.497 -0.607 1.00 0.00 C ATOM 1407 C MET A 89 -6.930 -6.279 0.617 1.00 0.00 C ATOM 1408 O MET A 89 -6.836 -7.012 1.601 1.00 0.00 O ATOM 1409 CB MET A 89 -6.667 -7.508 -1.571 1.00 0.00 C ATOM 1410 CG MET A 89 -6.026 -7.396 -2.958 1.00 0.00 C ATOM 1411 SD MET A 89 -4.269 -7.836 -3.056 1.00 0.00 S ATOM 1412 CE MET A 89 -3.912 -7.200 -4.709 1.00 0.00 C ATOM 0 H MET A 89 -4.465 -7.869 -0.572 1.00 0.00 H new ATOM 0 HA MET A 89 -5.949 -5.538 -1.117 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.536 -8.518 -1.184 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.740 -7.332 -1.645 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.580 -8.035 -3.646 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.144 -6.371 -3.310 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.956 -6.677 -4.699 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.865 -8.029 -5.415 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.700 -6.510 -5.011 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.795 -5.261 0.548 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.699 -4.915 1.639 1.00 0.00 C ATOM 1424 C ALA A 90 -9.835 -5.934 1.769 1.00 0.00 C ATOM 1425 O ALA A 90 -9.923 -6.882 0.988 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.252 -3.511 1.391 1.00 0.00 C ATOM 0 H ALA A 90 -7.884 -4.656 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.148 -4.933 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.930 -3.239 2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.429 -2.797 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.792 -3.495 0.444 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.714 -5.740 2.763 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.853 -6.626 2.999 1.00 0.00 C ATOM 1434 C ARG A 91 -13.136 -5.875 3.332 1.00 0.00 C ATOM 1435 O ARG A 91 -14.216 -6.460 3.274 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.522 -7.586 4.144 1.00 0.00 C ATOM 1437 CG ARG A 91 -11.501 -6.864 5.495 1.00 0.00 C ATOM 1438 CD ARG A 91 -10.878 -7.743 6.575 1.00 0.00 C ATOM 1439 NE ARG A 91 -10.816 -7.033 7.860 1.00 0.00 N ATOM 1440 CZ ARG A 91 -10.294 -7.550 8.976 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -9.803 -8.787 8.993 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -10.262 -6.821 10.090 1.00 0.00 N ATOM 0 H ARG A 91 -10.652 -4.964 3.423 1.00 0.00 H new ATOM 0 HA ARG A 91 -12.029 -7.170 2.071 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.259 -8.389 4.171 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.552 -8.049 3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -10.937 -5.936 5.406 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -12.517 -6.593 5.783 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -11.462 -8.656 6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.875 -8.042 6.272 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.195 -6.087 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.822 -9.355 8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.408 -9.167 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.635 -5.872 10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.864 -7.212 10.944 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.011 -4.594 3.678 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.147 -3.749 4.010 1.00 0.00 C ATOM 1458 C TYR A 92 -14.019 -2.394 3.316 1.00 0.00 C ATOM 1459 O TYR A 92 -12.994 -2.104 2.703 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.219 -3.504 5.520 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.346 -4.726 6.410 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.235 -5.762 6.095 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.567 -4.800 7.572 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.342 -6.879 6.939 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.671 -5.905 8.428 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.558 -6.953 8.111 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.659 -8.032 8.940 1.00 0.00 O ATOM 0 H TYR A 92 -12.112 -4.115 3.735 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.048 -4.262 3.676 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.323 -2.959 5.818 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.069 -2.851 5.717 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -15.839 -5.701 5.202 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.882 -4.000 7.810 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.023 -7.680 6.692 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -13.074 -5.953 9.327 1.00 0.00 H new ATOM 0 HH TYR A 92 -14.048 -7.920 9.698 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.060 -1.563 3.417 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.016 -0.190 2.935 1.00 0.00 C ATOM 1479 C GLY A 93 -14.849 0.761 4.117 1.00 0.00 C ATOM 1480 O GLY A 93 -14.190 1.790 3.987 1.00 0.00 O ATOM 0 H GLY A 93 -15.952 -1.827 3.835 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.190 -0.066 2.235 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.931 0.045 2.392 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.437 0.411 5.265 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.286 1.093 6.531 1.00 0.00 C ATOM 1486 C ARG A 94 -15.570 0.079 7.640 1.00 0.00 C ATOM 1487 O ARG A 94 -16.416 -0.801 7.472 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.285 2.245 6.665 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.973 3.384 5.702 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.818 4.601 6.070 1.00 0.00 C ATOM 1491 NE ARG A 94 -16.474 5.772 5.253 1.00 0.00 N ATOM 1492 CZ ARG A 94 -15.428 6.568 5.489 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -14.596 6.321 6.490 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.212 7.629 4.714 1.00 0.00 N ATOM 0 H ARG A 94 -16.058 -0.395 5.328 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.278 1.502 6.598 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.293 1.875 6.475 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.271 2.621 7.688 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.913 3.635 5.749 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.183 3.077 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.874 4.364 5.938 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.674 4.838 7.124 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.071 5.991 4.456 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -14.750 5.513 7.094 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.802 6.939 6.657 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.845 7.833 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.413 8.238 4.894 1.00 0.00 H new ATOM 1508 N PRO A 95 -14.866 0.205 8.765 1.00 0.00 N ATOM 1509 CA PRO A 95 -15.048 -0.588 9.965 1.00 0.00 C ATOM 1510 C PRO A 95 -16.443 -0.352 10.552 1.00 0.00 C ATOM 1511 O PRO A 95 -16.790 0.776 10.892 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.939 -0.122 10.914 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.593 1.284 10.423 1.00 0.00 C ATOM 1514 CD PRO A 95 -13.798 1.153 8.927 1.00 0.00 C ATOM 0 HA PRO A 95 -14.983 -1.660 9.778 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.280 -0.110 11.949 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.074 -0.783 10.871 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -14.245 2.041 10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.569 1.563 10.672 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.056 2.114 8.481 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -12.889 0.807 8.436 1.00 0.00 H new ATOM 1522 N PRO A 96 -17.254 -1.411 10.675 1.00 0.00 N ATOM 1523 CA PRO A 96 -18.620 -1.339 11.166 1.00 0.00 C ATOM 1524 C PRO A 96 -18.700 -1.277 12.693 1.00 0.00 C ATOM 1525 O PRO A 96 -19.796 -1.202 13.247 1.00 0.00 O ATOM 1526 CB PRO A 96 -19.257 -2.636 10.685 1.00 0.00 C ATOM 1527 CG PRO A 96 -18.101 -3.630 10.726 1.00 0.00 C ATOM 1528 CD PRO A 96 -16.907 -2.771 10.315 1.00 0.00 C ATOM 0 HA PRO A 96 -19.112 -0.436 10.805 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -20.077 -2.946 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -19.665 -2.535 9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -17.969 -4.058 11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -18.257 -4.462 10.039 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -16.000 -3.092 10.828 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -16.715 -2.855 9.245 1.00 0.00 H new ATOM 1536 N ASP A 97 -17.553 -1.313 13.373 1.00 0.00 N ATOM 1537 CA ASP A 97 -17.493 -1.408 14.826 1.00 0.00 C ATOM 1538 C ASP A 97 -16.409 -0.508 15.428 1.00 0.00 C ATOM 1539 O ASP A 97 -15.809 -0.850 16.447 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.288 -2.878 15.213 1.00 0.00 C ATOM 1541 CG ASP A 97 -17.473 -3.119 16.710 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -18.472 -2.601 17.261 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -16.615 -3.818 17.294 1.00 0.00 O ATOM 0 H ASP A 97 -16.637 -1.277 12.926 1.00 0.00 H new ATOM 0 HA ASP A 97 -18.435 -1.048 15.240 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -17.992 -3.498 14.658 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.287 -3.192 14.919 1.00 0.00 H new ATOM 1548 N SER A 98 -16.147 0.648 14.805 1.00 0.00 N ATOM 1549 CA SER A 98 -15.141 1.587 15.303 1.00 0.00 C ATOM 1550 C SER A 98 -15.693 3.002 15.449 1.00 0.00 C ATOM 1551 O SER A 98 -15.110 3.811 16.166 1.00 0.00 O ATOM 1552 CB SER A 98 -13.932 1.605 14.369 1.00 0.00 C ATOM 1553 OG SER A 98 -13.331 0.328 14.334 1.00 0.00 O ATOM 0 H SER A 98 -16.620 0.953 13.954 1.00 0.00 H new ATOM 0 HA SER A 98 -14.843 1.243 16.293 1.00 0.00 H new ATOM 0 HB2 SER A 98 -14.241 1.898 13.366 1.00 0.00 H new ATOM 0 HB3 SER A 98 -13.210 2.347 14.710 1.00 0.00 H new ATOM 0 HG SER A 98 -12.674 0.296 13.608 1.00 0.00 H new ATOM 1559 N HIS A 99 -16.809 3.314 14.783 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.420 4.633 14.860 1.00 0.00 C ATOM 1561 C HIS A 99 -18.866 4.560 14.365 1.00 0.00 C ATOM 1562 O HIS A 99 -19.170 3.772 13.470 1.00 0.00 O ATOM 1563 CB HIS A 99 -16.594 5.593 14.003 1.00 0.00 C ATOM 1564 CG HIS A 99 -17.172 6.978 13.936 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -17.501 7.657 12.761 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -17.466 7.768 15.011 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -17.985 8.844 13.163 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -17.979 8.935 14.504 1.00 0.00 N ATOM 0 H HIS A 99 -17.308 2.659 14.180 1.00 0.00 H new ATOM 0 HA HIS A 99 -17.436 4.991 15.889 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -15.582 5.648 14.404 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -16.515 5.191 12.993 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.323 7.523 16.053 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -18.332 9.621 12.498 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.300 9.734 15.051 1.00 0.00 H new ATOM 1576 N HIS A 100 -19.753 5.373 14.949 1.00 0.00 N ATOM 1577 CA HIS A 100 -21.177 5.337 14.635 1.00 0.00 C ATOM 1578 C HIS A 100 -21.863 6.700 14.782 1.00 0.00 C ATOM 1579 O HIS A 100 -23.073 6.793 14.583 1.00 0.00 O ATOM 1580 CB HIS A 100 -21.869 4.340 15.567 1.00 0.00 C ATOM 1581 CG HIS A 100 -21.280 2.957 15.529 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -20.438 2.420 16.507 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.485 2.030 14.548 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -20.162 1.174 16.086 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -20.772 0.915 14.914 1.00 0.00 N ATOM 0 H HIS A 100 -19.501 6.070 15.649 1.00 0.00 H new ATOM 0 HA HIS A 100 -21.264 5.039 13.590 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -21.818 4.717 16.588 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -22.924 4.282 15.301 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.088 2.150 13.660 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -19.534 0.474 16.617 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -20.714 0.042 14.389 1.00 0.00 H new ATOM 1593 N SER A 101 -21.117 7.755 15.128 1.00 0.00 N ATOM 1594 CA SER A 101 -21.693 9.070 15.391 1.00 0.00 C ATOM 1595 C SER A 101 -20.751 10.179 14.936 1.00 0.00 C ATOM 1596 O SER A 101 -20.939 10.655 13.793 1.00 0.00 O ATOM 1597 CB SER A 101 -21.992 9.221 16.883 1.00 0.00 C ATOM 1598 OG SER A 101 -22.917 8.239 17.297 1.00 0.00 O ATOM 1599 OXT SER A 101 -19.851 10.544 15.724 1.00 0.00 O ATOM 0 H SER A 101 -20.103 7.718 15.232 1.00 0.00 H new ATOM 0 HA SER A 101 -22.621 9.155 14.826 1.00 0.00 H new ATOM 0 HB2 SER A 101 -21.070 9.128 17.457 1.00 0.00 H new ATOM 0 HB3 SER A 101 -22.392 10.215 17.082 1.00 0.00 H new ATOM 0 HG SER A 101 -23.100 8.344 18.254 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -4.710 -6.652 14.973 1.00 0.00 O ATOM 1607 C5' U B 102 -4.206 -6.230 13.722 1.00 0.00 C ATOM 1608 C4' U B 102 -4.131 -4.708 13.672 1.00 0.00 C ATOM 1609 O4' U B 102 -3.041 -4.268 14.452 1.00 0.00 O ATOM 1610 C3' U B 102 -3.844 -4.206 12.264 1.00 0.00 C ATOM 1611 O3' U B 102 -5.020 -4.126 11.485 1.00 0.00 O ATOM 1612 C2' U B 102 -3.241 -2.831 12.562 1.00 0.00 C ATOM 1613 O2' U B 102 -4.255 -1.848 12.630 1.00 0.00 O ATOM 1614 C1' U B 102 -2.653 -2.998 13.969 1.00 0.00 C ATOM 1615 N1 U B 102 -1.177 -2.875 13.985 1.00 0.00 N ATOM 1616 C2 U B 102 -0.397 -3.735 13.217 1.00 0.00 C ATOM 1617 O2 U B 102 -0.866 -4.630 12.514 1.00 0.00 O ATOM 1618 N3 U B 102 0.974 -3.532 13.279 1.00 0.00 N ATOM 1619 C4 U B 102 1.620 -2.563 14.022 1.00 0.00 C ATOM 1620 O4 U B 102 2.847 -2.462 13.991 1.00 0.00 O ATOM 1621 C5 U B 102 0.734 -1.730 14.799 1.00 0.00 C ATOM 1622 C6 U B 102 -0.605 -1.909 14.758 1.00 0.00 C ATOM 0 H5' U B 102 -4.848 -6.596 12.921 1.00 0.00 H new ATOM 0 H5'' U B 102 -3.216 -6.656 13.558 1.00 0.00 H new ATOM 0 H4' U B 102 -5.090 -4.333 14.029 1.00 0.00 H new ATOM 0 H3' U B 102 -3.194 -4.854 11.675 1.00 0.00 H new ATOM 0 H2' U B 102 -2.523 -2.523 11.802 1.00 0.00 H new ATOM 0 HO2' U B 102 -3.918 -1.004 12.263 1.00 0.00 H new ATOM 0 HO5' U B 102 -4.756 -7.631 14.994 1.00 0.00 H new ATOM 0 H1' U B 102 -3.035 -2.200 14.606 1.00 0.00 H new ATOM 0 H3 U B 102 1.560 -4.156 12.724 1.00 0.00 H new ATOM 0 H5 U B 102 1.147 -0.951 15.423 1.00 0.00 H new ATOM 0 H6 U B 102 -1.239 -1.269 15.354 1.00 0.00 H new ATOM 1634 P C B 103 -4.941 -3.896 9.899 1.00 0.00 P ATOM 1635 OP1 C B 103 -4.767 -5.213 9.244 1.00 0.00 O ATOM 1636 OP2 C B 103 -3.973 -2.813 9.618 1.00 0.00 O ATOM 1637 O5' C B 103 -6.411 -3.350 9.534 1.00 0.00 O ATOM 1638 C5' C B 103 -6.711 -1.975 9.667 1.00 0.00 C ATOM 1639 C4' C B 103 -8.167 -1.676 9.308 1.00 0.00 C ATOM 1640 O4' C B 103 -8.437 -2.052 7.971 1.00 0.00 O ATOM 1641 C3' C B 103 -9.142 -2.415 10.221 1.00 0.00 C ATOM 1642 O3' C B 103 -10.263 -1.601 10.516 1.00 0.00 O ATOM 1643 C2' C B 103 -9.540 -3.625 9.385 1.00 0.00 C ATOM 1644 O2' C B 103 -10.878 -4.011 9.624 1.00 0.00 O ATOM 1645 C1' C B 103 -9.333 -3.149 7.943 1.00 0.00 C ATOM 1646 N1 C B 103 -8.787 -4.199 7.045 1.00 0.00 N ATOM 1647 C2 C B 103 -9.156 -4.153 5.708 1.00 0.00 C ATOM 1648 O2 C B 103 -9.926 -3.286 5.298 1.00 0.00 O ATOM 1649 N3 C B 103 -8.661 -5.091 4.857 1.00 0.00 N ATOM 1650 C4 C B 103 -7.843 -6.046 5.298 1.00 0.00 C ATOM 1651 N4 C B 103 -7.376 -6.944 4.432 1.00 0.00 N ATOM 1652 C5 C B 103 -7.462 -6.122 6.668 1.00 0.00 C ATOM 1653 C6 C B 103 -7.949 -5.183 7.500 1.00 0.00 C ATOM 0 H5' C B 103 -6.051 -1.395 9.022 1.00 0.00 H new ATOM 0 H5'' C B 103 -6.516 -1.658 10.691 1.00 0.00 H new ATOM 0 H4' C B 103 -8.306 -0.602 9.435 1.00 0.00 H new ATOM 0 H3' C B 103 -8.716 -2.687 11.187 1.00 0.00 H new ATOM 0 H2' C B 103 -8.953 -4.512 9.623 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.369 -3.262 10.022 1.00 0.00 H new ATOM 0 H1' C B 103 -10.308 -2.875 7.541 1.00 0.00 H new ATOM 0 H41 C B 103 -6.749 -7.682 4.751 1.00 0.00 H new ATOM 0 H42 C B 103 -7.646 -6.893 3.450 1.00 0.00 H new ATOM 0 H5 C B 103 -6.807 -6.903 7.026 1.00 0.00 H new ATOM 0 H6 C B 103 -7.675 -5.205 8.544 1.00 0.00 H new ATOM 1665 P C B 104 -10.101 -0.312 11.470 1.00 0.00 P ATOM 1666 OP1 C B 104 -8.737 -0.328 12.042 1.00 0.00 O ATOM 1667 OP2 C B 104 -11.269 -0.257 12.378 1.00 0.00 O ATOM 1668 O5' C B 104 -10.195 0.937 10.460 1.00 0.00 O ATOM 1669 C5' C B 104 -10.033 2.243 10.970 1.00 0.00 C ATOM 1670 C4' C B 104 -10.123 3.332 9.900 1.00 0.00 C ATOM 1671 O4' C B 104 -9.304 3.018 8.790 1.00 0.00 O ATOM 1672 C3' C B 104 -11.519 3.583 9.345 1.00 0.00 C ATOM 1673 O3' C B 104 -12.375 4.329 10.195 1.00 0.00 O ATOM 1674 C2' C B 104 -11.171 4.315 8.061 1.00 0.00 C ATOM 1675 O2' C B 104 -10.935 5.684 8.312 1.00 0.00 O ATOM 1676 C1' C B 104 -9.865 3.646 7.650 1.00 0.00 C ATOM 1677 N1 C B 104 -10.188 2.638 6.616 1.00 0.00 N ATOM 1678 C2 C B 104 -9.851 2.912 5.300 1.00 0.00 C ATOM 1679 O2 C B 104 -9.198 3.915 5.016 1.00 0.00 O ATOM 1680 N3 C B 104 -10.253 2.052 4.326 1.00 0.00 N ATOM 1681 C4 C B 104 -10.913 0.936 4.644 1.00 0.00 C ATOM 1682 N4 C B 104 -11.290 0.129 3.658 1.00 0.00 N ATOM 1683 C5 C B 104 -11.209 0.595 6.000 1.00 0.00 C ATOM 1684 C6 C B 104 -10.828 1.482 6.945 1.00 0.00 C ATOM 0 H5' C B 104 -9.066 2.313 11.467 1.00 0.00 H new ATOM 0 H5'' C B 104 -10.795 2.426 11.728 1.00 0.00 H new ATOM 0 H4' C B 104 -9.797 4.230 10.425 1.00 0.00 H new ATOM 0 H3' C B 104 -12.104 2.672 9.218 1.00 0.00 H new ATOM 0 H2' C B 104 -11.961 4.267 7.312 1.00 0.00 H new ATOM 0 HO2' C B 104 -9.970 5.843 8.375 1.00 0.00 H new ATOM 0 H1' C B 104 -9.150 4.367 7.255 1.00 0.00 H new ATOM 0 H41 C B 104 -11.796 -0.731 3.868 1.00 0.00 H new ATOM 0 H42 C B 104 -11.073 0.370 2.691 1.00 0.00 H new ATOM 0 H5 C B 104 -11.712 -0.326 6.256 1.00 0.00 H new ATOM 0 H6 C B 104 -11.035 1.270 7.983 1.00 0.00 H new ATOM 1696 P A B 105 -13.850 4.786 9.710 1.00 0.00 P ATOM 1697 OP1 A B 105 -14.821 4.384 10.752 1.00 0.00 O ATOM 1698 OP2 A B 105 -14.060 4.338 8.314 1.00 0.00 O ATOM 1699 O5' A B 105 -13.784 6.397 9.671 1.00 0.00 O ATOM 1700 C5' A B 105 -14.621 7.179 10.501 1.00 0.00 C ATOM 1701 C4' A B 105 -14.002 7.438 11.879 1.00 0.00 C ATOM 1702 O4' A B 105 -13.726 6.240 12.592 1.00 0.00 O ATOM 1703 C3' A B 105 -12.699 8.249 11.780 1.00 0.00 C ATOM 1704 O3' A B 105 -12.859 9.326 12.695 1.00 0.00 O ATOM 1705 C2' A B 105 -11.675 7.196 12.208 1.00 0.00 C ATOM 1706 O2' A B 105 -10.469 7.698 12.740 1.00 0.00 O ATOM 1707 C1' A B 105 -12.499 6.462 13.252 1.00 0.00 C ATOM 1708 N9 A B 105 -11.830 5.265 13.788 1.00 0.00 N ATOM 1709 C8 A B 105 -11.006 4.401 13.136 1.00 0.00 C ATOM 1710 N7 A B 105 -10.509 3.451 13.879 1.00 0.00 N ATOM 1711 C5 A B 105 -11.053 3.713 15.133 1.00 0.00 C ATOM 1712 C6 A B 105 -10.923 3.086 16.389 1.00 0.00 C ATOM 1713 N6 A B 105 -10.178 1.998 16.602 1.00 0.00 N ATOM 1714 N1 A B 105 -11.586 3.604 17.430 1.00 0.00 N ATOM 1715 C2 A B 105 -12.333 4.684 17.239 1.00 0.00 C ATOM 1716 N3 A B 105 -12.543 5.364 16.123 1.00 0.00 N ATOM 1717 C4 A B 105 -11.866 4.813 15.089 1.00 0.00 C ATOM 0 H5' A B 105 -15.579 6.674 10.625 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.824 8.132 10.012 1.00 0.00 H new ATOM 0 H4' A B 105 -14.754 8.009 12.423 1.00 0.00 H new ATOM 0 H3' A B 105 -12.418 8.692 10.825 1.00 0.00 H new ATOM 0 H2' A B 105 -11.297 6.601 11.376 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.645 8.538 13.213 1.00 0.00 H new ATOM 0 H1' A B 105 -12.647 7.028 14.172 1.00 0.00 H new ATOM 0 H8 A B 105 -10.781 4.494 12.084 1.00 0.00 H new ATOM 0 H61 A B 105 -10.125 1.591 17.536 1.00 0.00 H new ATOM 0 H62 A B 105 -9.662 1.574 15.831 1.00 0.00 H new ATOM 0 H2 A B 105 -12.840 5.060 18.115 1.00 0.00 H new ATOM 1729 P G B 106 -11.887 10.613 12.710 1.00 0.00 P ATOM 1730 OP1 G B 106 -10.518 10.185 13.077 1.00 0.00 O ATOM 1731 OP2 G B 106 -12.562 11.648 13.525 1.00 0.00 O ATOM 1732 O5' G B 106 -11.863 11.133 11.189 1.00 0.00 O ATOM 1733 C5' G B 106 -11.172 12.324 10.860 1.00 0.00 C ATOM 1734 C4' G B 106 -11.250 12.625 9.364 1.00 0.00 C ATOM 1735 O4' G B 106 -10.471 11.723 8.595 1.00 0.00 O ATOM 1736 C3' G B 106 -12.665 12.531 8.814 1.00 0.00 C ATOM 1737 O3' G B 106 -13.458 13.658 9.135 1.00 0.00 O ATOM 1738 C2' G B 106 -12.361 12.417 7.324 1.00 0.00 C ATOM 1739 O2' G B 106 -12.042 13.681 6.781 1.00 0.00 O ATOM 1740 C1' G B 106 -11.092 11.563 7.326 1.00 0.00 C ATOM 1741 N9 G B 106 -11.416 10.141 7.107 1.00 0.00 N ATOM 1742 C8 G B 106 -12.382 9.347 7.679 1.00 0.00 C ATOM 1743 N7 G B 106 -12.433 8.139 7.188 1.00 0.00 N ATOM 1744 C5 G B 106 -11.397 8.115 6.254 1.00 0.00 C ATOM 1745 C6 G B 106 -10.955 7.073 5.381 1.00 0.00 C ATOM 1746 O6 G B 106 -11.411 5.939 5.252 1.00 0.00 O ATOM 1747 N1 G B 106 -9.869 7.464 4.613 1.00 0.00 N ATOM 1748 C2 G B 106 -9.301 8.714 4.648 1.00 0.00 C ATOM 1749 N2 G B 106 -8.272 8.929 3.838 1.00 0.00 N ATOM 1750 N3 G B 106 -9.721 9.704 5.437 1.00 0.00 N ATOM 1751 C4 G B 106 -10.768 9.330 6.215 1.00 0.00 C ATOM 0 H5' G B 106 -10.128 12.234 11.160 1.00 0.00 H new ATOM 0 H5'' G B 106 -11.594 13.157 11.422 1.00 0.00 H new ATOM 0 H4' G B 106 -10.874 13.644 9.278 1.00 0.00 H new ATOM 0 H3' G B 106 -13.260 11.713 9.220 1.00 0.00 H new ATOM 0 H2' G B 106 -13.194 12.017 6.746 1.00 0.00 H new ATOM 0 HO2' G B 106 -11.849 13.587 5.825 1.00 0.00 H new ATOM 0 H1' G B 106 -10.429 11.881 6.522 1.00 0.00 H new ATOM 0 H8 G B 106 -13.039 9.692 8.464 1.00 0.00 H new ATOM 0 H1 G B 106 -9.464 6.776 3.978 1.00 0.00 H new ATOM 0 H21 G B 106 -7.815 9.841 3.826 1.00 0.00 H new ATOM 0 H22 G B 106 -7.939 8.183 3.228 1.00 0.00 H new ATOM 1763 P U B 107 -15.045 13.653 8.881 1.00 0.00 P ATOM 1764 OP1 U B 107 -15.630 14.772 9.653 1.00 0.00 O ATOM 1765 OP2 U B 107 -15.544 12.277 9.103 1.00 0.00 O ATOM 1766 O5' U B 107 -15.206 13.982 7.312 1.00 0.00 O ATOM 1767 C5' U B 107 -15.019 15.291 6.813 1.00 0.00 C ATOM 1768 C4' U B 107 -15.696 15.411 5.447 1.00 0.00 C ATOM 1769 O4' U B 107 -15.489 16.709 4.911 1.00 0.00 O ATOM 1770 C3' U B 107 -15.105 14.470 4.404 1.00 0.00 C ATOM 1771 O3' U B 107 -16.042 14.341 3.353 1.00 0.00 O ATOM 1772 C2' U B 107 -13.879 15.252 3.968 1.00 0.00 C ATOM 1773 O2' U B 107 -13.483 14.911 2.656 1.00 0.00 O ATOM 1774 C1' U B 107 -14.327 16.708 4.090 1.00 0.00 C ATOM 1775 N1 U B 107 -13.198 17.534 4.596 1.00 0.00 N ATOM 1776 C2 U B 107 -13.424 18.531 5.545 1.00 0.00 C ATOM 1777 O2 U B 107 -14.535 18.806 5.994 1.00 0.00 O ATOM 1778 N3 U B 107 -12.306 19.231 5.978 1.00 0.00 N ATOM 1779 C4 U B 107 -11.008 19.042 5.542 1.00 0.00 C ATOM 1780 O4 U B 107 -10.089 19.724 5.992 1.00 0.00 O ATOM 1781 C5 U B 107 -10.867 18.008 4.546 1.00 0.00 C ATOM 1782 C6 U B 107 -11.937 17.303 4.109 1.00 0.00 C ATOM 0 H5' U B 107 -13.955 15.511 6.725 1.00 0.00 H new ATOM 0 H5'' U B 107 -15.439 16.020 7.506 1.00 0.00 H new ATOM 0 H4' U B 107 -16.745 15.176 5.628 1.00 0.00 H new ATOM 0 H3' U B 107 -14.869 13.460 4.740 1.00 0.00 H new ATOM 0 H2' U B 107 -12.997 15.041 4.572 1.00 0.00 H new ATOM 0 HO2' U B 107 -13.207 15.720 2.177 1.00 0.00 H new ATOM 0 HO3' U B 107 -16.335 15.231 3.065 1.00 0.00 H new ATOM 0 H1' U B 107 -14.595 17.160 3.135 1.00 0.00 H new ATOM 0 H3 U B 107 -12.456 19.952 6.684 1.00 0.00 H new ATOM 0 H5 U B 107 -9.889 17.792 4.141 1.00 0.00 H new ATOM 0 H6 U B 107 -11.794 16.540 3.358 1.00 0.00 H new TER 1794 U B 107