USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 869 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 19 GLN : amide:sc= -0.702 K(o=-2,f=-0.72) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.3 K(o=-2,f=-3.1!) USER MOD Set 2.1: A 18 SER OG : rot -78:sc= 0.834 USER MOD Set 2.2: A 40 TYR OH : rot 5:sc= 0.375 USER MOD Set 2.3: A 71 THR OG1 : rot 114:sc= -0.368 USER MOD Set 2.4: A 74 ASN : amide:sc= 0.00547 K(o=0.85,f=-0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= -0.0411 (180deg=-0.183) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.751 K(o=-0.75,f=-3.7!) USER MOD Single : A 20 SER OG : rot 67:sc= 1.22 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 36 GLN : amide:sc= -0.0236 K(o=-0.024,f=-0.67) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 43 SER OG : rot 77:sc= 0.763 USER MOD Single : A 46 THR OG1 : rot 73:sc= 0.995 USER MOD Single : A 48 MET CE :methyl -115:sc= -0.631 (180deg=-0.759) USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0.264 (180deg=0.0433) USER MOD Single : A 51 GLN : amide:sc=-2.78e-05 K(o=-2.8e-05,f=-0.82) USER MOD Single : A 52 THR OG1 : rot 170:sc= -0.205 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0961 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.69 K(o=0.69,f=-2.7!) USER MOD Single : A 63 MET CE :methyl -177:sc= -0.25 (180deg=-0.277) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0137) USER MOD Single : A 76 GLN : amide:sc= -0.772 K(o=-0.77,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -131:sc= 0.547 (180deg=-0.496) USER MOD Single : A 95 GLN : amide:sc= -1.18 K(o=-1.2,f=-1.9) USER MOD Single : A 96 SER OG : rot 180:sc= 0.183 USER MOD Single : A 97 THR OG1 : rot 130:sc= 0.0903 USER MOD Single : A 99 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 100 LYS NZ :NH3+ -172:sc= -0.0139 (180deg=-0.14) USER MOD Single : A 101 SER OG : rot -141:sc= 0.514 USER MOD Single : A 103 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.6!) USER MOD Single : A 104 ASN : amide:sc= -0.016 K(o=-0.016,f=-2.1) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -147:sc= -0.142 (180deg=-0.563) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.334 3.440 21.520 1.00 33.53 N ATOM 2 CA MET A 1 1.472 2.707 20.237 1.00 43.12 C ATOM 3 C MET A 1 0.657 3.418 19.116 1.00 12.14 C ATOM 4 O MET A 1 0.399 2.834 18.067 1.00 34.23 O ATOM 5 CB MET A 1 1.037 1.214 20.456 1.00 54.10 C ATOM 6 CG MET A 1 1.357 0.239 19.304 1.00 21.13 C ATOM 7 SD MET A 1 0.775 -1.447 19.601 1.00 31.33 S ATOM 8 CE MET A 1 1.127 -2.222 18.017 1.00 4.24 C ATOM 0 H1 MET A 1 1.768 2.885 22.285 1.00 33.53 H new ATOM 0 H2 MET A 1 1.811 4.361 21.447 1.00 33.53 H new ATOM 0 H3 MET A 1 0.326 3.588 21.729 1.00 33.53 H new ATOM 0 HA MET A 1 2.511 2.707 19.906 1.00 43.12 H new ATOM 0 HB2 MET A 1 1.519 0.845 21.362 1.00 54.10 H new ATOM 0 HB3 MET A 1 -0.038 1.192 20.635 1.00 54.10 H new ATOM 0 HG2 MET A 1 0.905 0.614 18.386 1.00 21.13 H new ATOM 0 HG3 MET A 1 2.435 0.220 19.144 1.00 21.13 H new ATOM 0 HE1 MET A 1 0.821 -3.268 18.048 1.00 4.24 H new ATOM 0 HE2 MET A 1 0.577 -1.706 17.230 1.00 4.24 H new ATOM 0 HE3 MET A 1 2.196 -2.162 17.812 1.00 4.24 H new ATOM 20 N THR A 2 0.333 4.726 19.322 1.00 13.31 N ATOM 21 CA THR A 2 -0.582 5.505 18.442 1.00 25.51 C ATOM 22 C THR A 2 -0.131 5.498 16.964 1.00 4.42 C ATOM 23 O THR A 2 -0.880 5.050 16.090 1.00 33.25 O ATOM 24 CB THR A 2 -0.720 6.993 18.935 1.00 33.03 C ATOM 25 OG1 THR A 2 0.567 7.625 18.973 1.00 22.13 O ATOM 26 CG2 THR A 2 -1.359 7.087 20.332 1.00 42.31 C ATOM 0 H THR A 2 0.700 5.269 20.104 1.00 13.31 H new ATOM 0 HA THR A 2 -1.551 5.010 18.504 1.00 25.51 H new ATOM 0 HB THR A 2 -1.372 7.501 18.224 1.00 33.03 H new ATOM 0 HG1 THR A 2 0.468 8.551 19.279 1.00 22.13 H new ATOM 0 HG21 THR A 2 -1.433 8.133 20.629 1.00 42.31 H new ATOM 0 HG22 THR A 2 -2.355 6.646 20.307 1.00 42.31 H new ATOM 0 HG23 THR A 2 -0.742 6.549 21.051 1.00 42.31 H new ATOM 34 N SER A 3 1.119 5.946 16.717 1.00 34.43 N ATOM 35 CA SER A 3 1.683 6.062 15.356 1.00 2.40 C ATOM 36 C SER A 3 1.837 4.680 14.689 1.00 1.11 C ATOM 37 O SER A 3 1.734 4.569 13.473 1.00 61.14 O ATOM 38 CB SER A 3 3.046 6.796 15.393 1.00 52.12 C ATOM 39 OG SER A 3 3.582 6.990 14.089 1.00 23.13 O ATOM 0 H SER A 3 1.763 6.236 17.453 1.00 34.43 H new ATOM 0 HA SER A 3 0.984 6.647 14.758 1.00 2.40 H new ATOM 0 HB2 SER A 3 2.924 7.762 15.883 1.00 52.12 H new ATOM 0 HB3 SER A 3 3.751 6.221 15.993 1.00 52.12 H new ATOM 0 HG SER A 3 4.441 7.457 14.155 1.00 23.13 H new ATOM 45 N THR A 4 2.080 3.637 15.510 1.00 22.23 N ATOM 46 CA THR A 4 2.232 2.254 15.031 1.00 11.12 C ATOM 47 C THR A 4 0.880 1.667 14.585 1.00 64.20 C ATOM 48 O THR A 4 0.799 1.025 13.538 1.00 33.23 O ATOM 49 CB THR A 4 2.879 1.353 16.131 1.00 70.31 C ATOM 50 OG1 THR A 4 4.094 1.960 16.610 1.00 23.32 O ATOM 51 CG2 THR A 4 3.191 -0.062 15.610 1.00 0.41 C ATOM 0 H THR A 4 2.176 3.733 16.521 1.00 22.23 H new ATOM 0 HA THR A 4 2.895 2.275 14.166 1.00 11.12 H new ATOM 0 HB THR A 4 2.157 1.262 16.942 1.00 70.31 H new ATOM 0 HG1 THR A 4 4.494 1.391 17.301 1.00 23.32 H new ATOM 0 HG21 THR A 4 3.640 -0.653 16.408 1.00 0.41 H new ATOM 0 HG22 THR A 4 2.269 -0.540 15.279 1.00 0.41 H new ATOM 0 HG23 THR A 4 3.886 0.004 14.773 1.00 0.41 H new ATOM 59 N VAL A 5 -0.179 1.914 15.378 1.00 13.22 N ATOM 60 CA VAL A 5 -1.538 1.431 15.073 1.00 30.22 C ATOM 61 C VAL A 5 -2.023 2.079 13.771 1.00 13.45 C ATOM 62 O VAL A 5 -2.516 1.384 12.888 1.00 43.14 O ATOM 63 CB VAL A 5 -2.542 1.716 16.254 1.00 62.14 C ATOM 64 CG1 VAL A 5 -4.001 1.374 15.868 1.00 23.53 C ATOM 65 CG2 VAL A 5 -2.122 0.957 17.537 1.00 30.31 C ATOM 0 H VAL A 5 -0.117 2.451 16.243 1.00 13.22 H new ATOM 0 HA VAL A 5 -1.501 0.349 14.949 1.00 30.22 H new ATOM 0 HB VAL A 5 -2.500 2.786 16.458 1.00 62.14 H new ATOM 0 HG11 VAL A 5 -4.659 1.585 16.711 1.00 23.53 H new ATOM 0 HG12 VAL A 5 -4.302 1.978 15.012 1.00 23.53 H new ATOM 0 HG13 VAL A 5 -4.071 0.317 15.609 1.00 23.53 H new ATOM 0 HG21 VAL A 5 -2.832 1.172 18.336 1.00 30.31 H new ATOM 0 HG22 VAL A 5 -2.112 -0.115 17.339 1.00 30.31 H new ATOM 0 HG23 VAL A 5 -1.126 1.279 17.841 1.00 30.31 H new ATOM 75 N GLU A 6 -1.814 3.404 13.659 1.00 15.32 N ATOM 76 CA GLU A 6 -2.102 4.168 12.431 1.00 51.50 C ATOM 77 C GLU A 6 -1.338 3.576 11.232 1.00 14.31 C ATOM 78 O GLU A 6 -1.940 3.234 10.225 1.00 74.51 O ATOM 79 CB GLU A 6 -1.721 5.665 12.613 1.00 0.12 C ATOM 80 CG GLU A 6 -2.598 6.440 13.618 1.00 54.24 C ATOM 81 CD GLU A 6 -4.059 6.614 13.145 1.00 42.41 C ATOM 82 OE1 GLU A 6 -4.329 7.541 12.343 1.00 22.01 O ATOM 83 OE2 GLU A 6 -4.940 5.822 13.547 1.00 41.50 O ATOM 0 H GLU A 6 -1.441 3.975 14.417 1.00 15.32 H new ATOM 0 HA GLU A 6 -3.172 4.099 12.235 1.00 51.50 H new ATOM 0 HB2 GLU A 6 -0.682 5.724 12.938 1.00 0.12 H new ATOM 0 HB3 GLU A 6 -1.780 6.160 11.644 1.00 0.12 H new ATOM 0 HG2 GLU A 6 -2.593 5.916 14.574 1.00 54.24 H new ATOM 0 HG3 GLU A 6 -2.159 7.423 13.790 1.00 54.24 H new ATOM 90 N PHE A 7 -0.016 3.401 11.414 1.00 2.44 N ATOM 91 CA PHE A 7 0.922 2.976 10.349 1.00 51.34 C ATOM 92 C PHE A 7 0.510 1.616 9.741 1.00 72.13 C ATOM 93 O PHE A 7 0.334 1.509 8.522 1.00 4.35 O ATOM 94 CB PHE A 7 2.360 2.904 10.935 1.00 73.24 C ATOM 95 CG PHE A 7 3.493 2.814 9.915 1.00 24.01 C ATOM 96 CD1 PHE A 7 3.790 3.906 9.100 1.00 54.14 C ATOM 97 CD2 PHE A 7 4.291 1.668 9.799 1.00 73.34 C ATOM 98 CE1 PHE A 7 4.838 3.862 8.203 1.00 61.34 C ATOM 99 CE2 PHE A 7 5.338 1.625 8.897 1.00 34.01 C ATOM 100 CZ PHE A 7 5.608 2.725 8.101 1.00 3.51 C ATOM 0 H PHE A 7 0.440 3.552 12.314 1.00 2.44 H new ATOM 0 HA PHE A 7 0.893 3.709 9.543 1.00 51.34 H new ATOM 0 HB2 PHE A 7 2.524 3.786 11.554 1.00 73.24 H new ATOM 0 HB3 PHE A 7 2.420 2.037 11.593 1.00 73.24 H new ATOM 0 HD1 PHE A 7 3.190 4.801 9.172 1.00 54.14 H new ATOM 0 HD2 PHE A 7 4.086 0.809 10.421 1.00 73.34 H new ATOM 0 HE1 PHE A 7 5.054 4.719 7.582 1.00 61.34 H new ATOM 0 HE2 PHE A 7 5.944 0.735 8.814 1.00 34.01 H new ATOM 0 HZ PHE A 7 6.426 2.691 7.397 1.00 3.51 H new ATOM 110 N ILE A 8 0.333 0.604 10.618 1.00 60.04 N ATOM 111 CA ILE A 8 -0.086 -0.757 10.221 1.00 33.04 C ATOM 112 C ILE A 8 -1.481 -0.713 9.563 1.00 20.24 C ATOM 113 O ILE A 8 -1.680 -1.306 8.514 1.00 44.11 O ATOM 114 CB ILE A 8 -0.129 -1.752 11.449 1.00 32.03 C ATOM 115 CG1 ILE A 8 1.250 -1.827 12.175 1.00 53.14 C ATOM 116 CG2 ILE A 8 -0.591 -3.169 11.015 1.00 61.15 C ATOM 117 CD1 ILE A 8 1.240 -2.651 13.458 1.00 33.41 C ATOM 0 H ILE A 8 0.477 0.708 11.622 1.00 60.04 H new ATOM 0 HA ILE A 8 0.656 -1.123 9.512 1.00 33.04 H new ATOM 0 HB ILE A 8 -0.861 -1.357 12.154 1.00 32.03 H new ATOM 0 HG12 ILE A 8 1.985 -2.251 11.491 1.00 53.14 H new ATOM 0 HG13 ILE A 8 1.579 -0.815 12.410 1.00 53.14 H new ATOM 0 HG21 ILE A 8 -0.609 -3.828 11.883 1.00 61.15 H new ATOM 0 HG22 ILE A 8 -1.590 -3.110 10.584 1.00 61.15 H new ATOM 0 HG23 ILE A 8 0.102 -3.566 10.273 1.00 61.15 H new ATOM 0 HD11 ILE A 8 2.237 -2.651 13.898 1.00 33.41 H new ATOM 0 HD12 ILE A 8 0.532 -2.217 14.164 1.00 33.41 H new ATOM 0 HD13 ILE A 8 0.944 -3.675 13.230 1.00 33.41 H new ATOM 129 N ASN A 9 -2.410 0.036 10.191 1.00 74.24 N ATOM 130 CA ASN A 9 -3.820 0.164 9.734 1.00 31.31 C ATOM 131 C ASN A 9 -3.916 0.796 8.333 1.00 30.42 C ATOM 132 O ASN A 9 -4.822 0.468 7.554 1.00 11.11 O ATOM 133 CB ASN A 9 -4.629 0.992 10.764 1.00 23.30 C ATOM 134 CG ASN A 9 -6.066 1.294 10.337 1.00 73.52 C ATOM 135 OD1 ASN A 9 -6.349 2.351 9.768 1.00 72.42 O ATOM 136 ND2 ASN A 9 -6.973 0.362 10.582 1.00 4.51 N ATOM 0 H ASN A 9 -2.208 0.574 11.034 1.00 74.24 H new ATOM 0 HA ASN A 9 -4.244 -0.838 9.662 1.00 31.31 H new ATOM 0 HB2 ASN A 9 -4.649 0.453 11.711 1.00 23.30 H new ATOM 0 HB3 ASN A 9 -4.110 1.933 10.944 1.00 23.30 H new ATOM 0 HD21 ASN A 9 -7.942 0.506 10.298 1.00 4.51 H new ATOM 0 HD22 ASN A 9 -6.703 -0.500 11.055 1.00 4.51 H new ATOM 143 N ARG A 10 -2.981 1.701 8.035 1.00 14.11 N ATOM 144 CA ARG A 10 -2.911 2.377 6.735 1.00 62.32 C ATOM 145 C ARG A 10 -2.290 1.447 5.694 1.00 13.23 C ATOM 146 O ARG A 10 -2.678 1.486 4.544 1.00 51.55 O ATOM 147 CB ARG A 10 -2.116 3.698 6.846 1.00 44.23 C ATOM 148 CG ARG A 10 -2.793 4.765 7.729 1.00 54.20 C ATOM 149 CD ARG A 10 -1.916 6.007 7.960 1.00 14.04 C ATOM 150 NE ARG A 10 -2.483 6.870 9.012 1.00 31.15 N ATOM 151 CZ ARG A 10 -2.007 8.075 9.374 1.00 30.22 C ATOM 152 NH1 ARG A 10 -0.936 8.605 8.775 1.00 74.31 N ATOM 153 NH2 ARG A 10 -2.600 8.738 10.353 1.00 12.51 N ATOM 0 H ARG A 10 -2.251 1.987 8.687 1.00 14.11 H new ATOM 0 HA ARG A 10 -3.923 2.626 6.414 1.00 62.32 H new ATOM 0 HB2 ARG A 10 -1.127 3.482 7.249 1.00 44.23 H new ATOM 0 HB3 ARG A 10 -1.970 4.107 5.846 1.00 44.23 H new ATOM 0 HG2 ARG A 10 -3.730 5.071 7.263 1.00 54.20 H new ATOM 0 HG3 ARG A 10 -3.046 4.323 8.693 1.00 54.20 H new ATOM 0 HD2 ARG A 10 -0.910 5.698 8.242 1.00 14.04 H new ATOM 0 HD3 ARG A 10 -1.827 6.571 7.031 1.00 14.04 H new ATOM 0 HE ARG A 10 -3.305 6.525 9.507 1.00 31.15 H new ATOM 0 HH11 ARG A 10 -0.464 8.094 8.029 1.00 74.31 H new ATOM 0 HH12 ARG A 10 -0.591 9.520 9.064 1.00 74.31 H new ATOM 0 HH21 ARG A 10 -3.409 8.335 10.825 1.00 12.51 H new ATOM 0 HH22 ARG A 10 -2.248 9.652 10.636 1.00 12.51 H new ATOM 167 N TRP A 11 -1.326 0.610 6.111 1.00 53.15 N ATOM 168 CA TRP A 11 -0.775 -0.452 5.236 1.00 5.25 C ATOM 169 C TRP A 11 -1.828 -1.529 4.943 1.00 61.33 C ATOM 170 O TRP A 11 -1.853 -2.090 3.840 1.00 11.14 O ATOM 171 CB TRP A 11 0.504 -1.085 5.837 1.00 10.42 C ATOM 172 CG TRP A 11 1.728 -0.218 5.678 1.00 10.51 C ATOM 173 CD1 TRP A 11 2.502 0.310 6.665 1.00 22.41 C ATOM 174 CD2 TRP A 11 2.299 0.237 4.438 1.00 42.40 C ATOM 175 NE1 TRP A 11 3.532 1.025 6.117 1.00 53.41 N ATOM 176 CE2 TRP A 11 3.427 1.001 4.759 1.00 42.22 C ATOM 177 CE3 TRP A 11 1.964 0.062 3.087 1.00 74.22 C ATOM 178 CZ2 TRP A 11 4.230 1.594 3.791 1.00 2.25 C ATOM 179 CZ3 TRP A 11 2.758 0.651 2.128 1.00 64.20 C ATOM 180 CH2 TRP A 11 3.883 1.409 2.486 1.00 54.34 C ATOM 0 H TRP A 11 -0.910 0.643 7.042 1.00 53.15 H new ATOM 0 HA TRP A 11 -0.497 0.020 4.293 1.00 5.25 H new ATOM 0 HB2 TRP A 11 0.341 -1.281 6.897 1.00 10.42 H new ATOM 0 HB3 TRP A 11 0.684 -2.048 5.359 1.00 10.42 H new ATOM 0 HD1 TRP A 11 2.329 0.183 7.724 1.00 22.41 H new ATOM 0 HE1 TRP A 11 4.264 1.502 6.643 1.00 53.41 H new ATOM 0 HE3 TRP A 11 1.101 -0.523 2.805 1.00 74.22 H new ATOM 0 HZ2 TRP A 11 5.096 2.179 4.063 1.00 2.25 H new ATOM 0 HZ3 TRP A 11 2.511 0.527 1.084 1.00 64.20 H new ATOM 0 HH2 TRP A 11 4.487 1.856 1.710 1.00 54.34 H new ATOM 191 N GLN A 12 -2.701 -1.786 5.937 1.00 62.34 N ATOM 192 CA GLN A 12 -3.869 -2.654 5.769 1.00 1.54 C ATOM 193 C GLN A 12 -4.774 -2.041 4.698 1.00 32.21 C ATOM 194 O GLN A 12 -5.147 -2.712 3.752 1.00 44.34 O ATOM 195 CB GLN A 12 -4.665 -2.810 7.099 1.00 42.34 C ATOM 196 CG GLN A 12 -3.926 -3.551 8.228 1.00 73.41 C ATOM 197 CD GLN A 12 -4.786 -3.744 9.479 1.00 23.22 C ATOM 198 OE1 GLN A 12 -4.773 -2.928 10.399 1.00 73.24 O ATOM 199 NE2 GLN A 12 -5.558 -4.822 9.517 1.00 42.13 N ATOM 0 H GLN A 12 -2.611 -1.395 6.875 1.00 62.34 H new ATOM 0 HA GLN A 12 -3.530 -3.646 5.471 1.00 1.54 H new ATOM 0 HB2 GLN A 12 -4.939 -1.818 7.457 1.00 42.34 H new ATOM 0 HB3 GLN A 12 -5.594 -3.340 6.887 1.00 42.34 H new ATOM 0 HG2 GLN A 12 -3.601 -4.525 7.864 1.00 73.41 H new ATOM 0 HG3 GLN A 12 -3.028 -2.994 8.494 1.00 73.41 H new ATOM 0 HE21 GLN A 12 -5.550 -5.483 8.740 1.00 42.13 H new ATOM 0 HE22 GLN A 12 -6.160 -4.990 10.323 1.00 42.13 H new ATOM 208 N ARG A 13 -5.031 -0.731 4.854 1.00 23.55 N ATOM 209 CA ARG A 13 -5.946 0.025 3.989 1.00 43.31 C ATOM 210 C ARG A 13 -5.449 0.049 2.531 1.00 54.43 C ATOM 211 O ARG A 13 -6.208 -0.258 1.632 1.00 55.14 O ATOM 212 CB ARG A 13 -6.125 1.468 4.532 1.00 4.15 C ATOM 213 CG ARG A 13 -7.182 2.299 3.775 1.00 54.33 C ATOM 214 CD ARG A 13 -7.346 3.724 4.324 1.00 52.34 C ATOM 215 NE ARG A 13 -8.336 4.501 3.555 1.00 21.03 N ATOM 216 CZ ARG A 13 -8.674 5.776 3.805 1.00 33.44 C ATOM 217 NH1 ARG A 13 -8.112 6.444 4.812 1.00 74.33 N ATOM 218 NH2 ARG A 13 -9.575 6.381 3.043 1.00 3.34 N ATOM 0 H ARG A 13 -4.606 -0.166 5.589 1.00 23.55 H new ATOM 0 HA ARG A 13 -6.914 -0.477 3.998 1.00 43.31 H new ATOM 0 HB2 ARG A 13 -6.404 1.417 5.584 1.00 4.15 H new ATOM 0 HB3 ARG A 13 -5.167 1.985 4.481 1.00 4.15 H new ATOM 0 HG2 ARG A 13 -6.905 2.353 2.722 1.00 54.33 H new ATOM 0 HG3 ARG A 13 -8.142 1.785 3.826 1.00 54.33 H new ATOM 0 HD2 ARG A 13 -7.654 3.677 5.369 1.00 52.34 H new ATOM 0 HD3 ARG A 13 -6.384 4.236 4.298 1.00 52.34 H new ATOM 0 HE ARG A 13 -8.799 4.035 2.775 1.00 21.03 H new ATOM 0 HH11 ARG A 13 -7.417 5.987 5.402 1.00 74.33 H new ATOM 0 HH12 ARG A 13 -8.377 7.412 4.992 1.00 74.33 H new ATOM 0 HH21 ARG A 13 -10.009 5.878 2.269 1.00 3.34 H new ATOM 0 HH22 ARG A 13 -9.834 7.350 3.231 1.00 3.34 H new ATOM 232 N ILE A 14 -4.159 0.378 2.332 1.00 3.21 N ATOM 233 CA ILE A 14 -3.532 0.461 0.995 1.00 40.34 C ATOM 234 C ILE A 14 -3.567 -0.930 0.315 1.00 32.13 C ATOM 235 O ILE A 14 -3.934 -1.041 -0.859 1.00 50.04 O ATOM 236 CB ILE A 14 -2.048 1.019 1.089 1.00 61.41 C ATOM 237 CG1 ILE A 14 -2.018 2.458 1.695 1.00 1.32 C ATOM 238 CG2 ILE A 14 -1.329 1.022 -0.275 1.00 50.34 C ATOM 239 CD1 ILE A 14 -0.621 3.000 1.977 1.00 24.13 C ATOM 0 H ILE A 14 -3.518 0.595 3.095 1.00 3.21 H new ATOM 0 HA ILE A 14 -4.100 1.163 0.385 1.00 40.34 H new ATOM 0 HB ILE A 14 -1.513 0.338 1.751 1.00 61.41 H new ATOM 0 HG12 ILE A 14 -2.525 3.137 1.010 1.00 1.32 H new ATOM 0 HG13 ILE A 14 -2.588 2.459 2.624 1.00 1.32 H new ATOM 0 HG21 ILE A 14 -0.319 1.413 -0.153 1.00 50.34 H new ATOM 0 HG22 ILE A 14 -1.280 0.004 -0.663 1.00 50.34 H new ATOM 0 HG23 ILE A 14 -1.879 1.651 -0.975 1.00 50.34 H new ATOM 0 HD11 ILE A 14 -0.698 4.003 2.396 1.00 24.13 H new ATOM 0 HD12 ILE A 14 -0.114 2.348 2.688 1.00 24.13 H new ATOM 0 HD13 ILE A 14 -0.051 3.037 1.049 1.00 24.13 H new ATOM 251 N ALA A 15 -3.248 -1.983 1.105 1.00 64.51 N ATOM 252 CA ALA A 15 -3.298 -3.391 0.646 1.00 61.24 C ATOM 253 C ALA A 15 -4.717 -3.801 0.213 1.00 73.32 C ATOM 254 O ALA A 15 -4.903 -4.407 -0.841 1.00 64.22 O ATOM 255 CB ALA A 15 -2.798 -4.320 1.755 1.00 3.51 C ATOM 0 H ALA A 15 -2.950 -1.880 2.075 1.00 64.51 H new ATOM 0 HA ALA A 15 -2.649 -3.480 -0.225 1.00 61.24 H new ATOM 0 HB1 ALA A 15 -2.838 -5.353 1.410 1.00 3.51 H new ATOM 0 HB2 ALA A 15 -1.770 -4.062 2.010 1.00 3.51 H new ATOM 0 HB3 ALA A 15 -3.429 -4.207 2.636 1.00 3.51 H new ATOM 261 N LEU A 16 -5.698 -3.409 1.035 1.00 73.40 N ATOM 262 CA LEU A 16 -7.123 -3.789 0.861 1.00 12.13 C ATOM 263 C LEU A 16 -7.766 -3.004 -0.291 1.00 64.14 C ATOM 264 O LEU A 16 -8.605 -3.542 -1.005 1.00 72.14 O ATOM 265 CB LEU A 16 -7.929 -3.548 2.177 1.00 11.21 C ATOM 266 CG LEU A 16 -7.619 -4.496 3.381 1.00 72.24 C ATOM 267 CD1 LEU A 16 -8.369 -4.043 4.655 1.00 73.34 C ATOM 268 CD2 LEU A 16 -7.926 -5.963 3.033 1.00 60.02 C ATOM 0 H LEU A 16 -5.534 -2.815 1.848 1.00 73.40 H new ATOM 0 HA LEU A 16 -7.151 -4.852 0.620 1.00 12.13 H new ATOM 0 HB2 LEU A 16 -7.753 -2.522 2.499 1.00 11.21 H new ATOM 0 HB3 LEU A 16 -8.991 -3.631 1.944 1.00 11.21 H new ATOM 0 HG LEU A 16 -6.551 -4.431 3.589 1.00 72.24 H new ATOM 0 HD11 LEU A 16 -8.134 -4.721 5.476 1.00 73.34 H new ATOM 0 HD12 LEU A 16 -8.059 -3.032 4.919 1.00 73.34 H new ATOM 0 HD13 LEU A 16 -9.443 -4.056 4.469 1.00 73.34 H new ATOM 0 HD21 LEU A 16 -7.700 -6.596 3.891 1.00 60.02 H new ATOM 0 HD22 LEU A 16 -8.981 -6.063 2.777 1.00 60.02 H new ATOM 0 HD23 LEU A 16 -7.315 -6.271 2.184 1.00 60.02 H new ATOM 280 N LEU A 17 -7.359 -1.733 -0.454 1.00 44.13 N ATOM 281 CA LEU A 17 -7.919 -0.838 -1.484 1.00 64.53 C ATOM 282 C LEU A 17 -7.428 -1.269 -2.864 1.00 1.21 C ATOM 283 O LEU A 17 -8.227 -1.397 -3.770 1.00 21.22 O ATOM 284 CB LEU A 17 -7.567 0.658 -1.215 1.00 60.20 C ATOM 285 CG LEU A 17 -8.287 1.344 -0.011 1.00 74.21 C ATOM 286 CD1 LEU A 17 -7.795 2.796 0.176 1.00 43.52 C ATOM 287 CD2 LEU A 17 -9.819 1.277 -0.166 1.00 62.02 C ATOM 0 H LEU A 17 -6.637 -1.298 0.120 1.00 44.13 H new ATOM 0 HA LEU A 17 -9.005 -0.920 -1.445 1.00 64.53 H new ATOM 0 HB2 LEU A 17 -6.491 0.730 -1.054 1.00 60.20 H new ATOM 0 HB3 LEU A 17 -7.794 1.228 -2.116 1.00 60.20 H new ATOM 0 HG LEU A 17 -8.029 0.793 0.893 1.00 74.21 H new ATOM 0 HD11 LEU A 17 -8.313 3.250 1.021 1.00 43.52 H new ATOM 0 HD12 LEU A 17 -6.722 2.795 0.366 1.00 43.52 H new ATOM 0 HD13 LEU A 17 -8.003 3.370 -0.727 1.00 43.52 H new ATOM 0 HD21 LEU A 17 -10.293 1.763 0.687 1.00 62.02 H new ATOM 0 HD22 LEU A 17 -10.114 1.786 -1.083 1.00 62.02 H new ATOM 0 HD23 LEU A 17 -10.135 0.235 -0.212 1.00 62.02 H new ATOM 299 N SER A 18 -6.112 -1.516 -2.993 1.00 64.41 N ATOM 300 CA SER A 18 -5.502 -2.004 -4.250 1.00 71.31 C ATOM 301 C SER A 18 -6.011 -3.415 -4.602 1.00 2.01 C ATOM 302 O SER A 18 -6.169 -3.745 -5.779 1.00 72.31 O ATOM 303 CB SER A 18 -3.975 -2.025 -4.119 1.00 3.03 C ATOM 304 OG SER A 18 -3.581 -2.875 -3.055 1.00 41.22 O ATOM 0 H SER A 18 -5.442 -1.385 -2.235 1.00 64.41 H new ATOM 0 HA SER A 18 -5.790 -1.324 -5.051 1.00 71.31 H new ATOM 0 HB2 SER A 18 -3.528 -2.369 -5.052 1.00 3.03 H new ATOM 0 HB3 SER A 18 -3.605 -1.015 -3.942 1.00 3.03 H new ATOM 0 HG SER A 18 -3.720 -2.415 -2.201 1.00 41.22 H new ATOM 310 N GLN A 19 -6.228 -4.243 -3.554 1.00 71.45 N ATOM 311 CA GLN A 19 -6.815 -5.589 -3.691 1.00 44.21 C ATOM 312 C GLN A 19 -8.229 -5.492 -4.261 1.00 52.05 C ATOM 313 O GLN A 19 -8.591 -6.233 -5.177 1.00 74.12 O ATOM 314 CB GLN A 19 -6.849 -6.311 -2.321 1.00 32.32 C ATOM 315 CG GLN A 19 -7.283 -7.785 -2.377 1.00 12.52 C ATOM 316 CD GLN A 19 -6.304 -8.649 -3.164 1.00 62.11 C ATOM 317 OE1 GLN A 19 -6.445 -8.833 -4.375 1.00 54.31 O ATOM 318 NE2 GLN A 19 -5.292 -9.175 -2.485 1.00 63.24 N ATOM 0 H GLN A 19 -6.000 -3.994 -2.592 1.00 71.45 H new ATOM 0 HA GLN A 19 -6.193 -6.166 -4.375 1.00 44.21 H new ATOM 0 HB2 GLN A 19 -5.857 -6.256 -1.873 1.00 32.32 H new ATOM 0 HB3 GLN A 19 -7.528 -5.772 -1.660 1.00 32.32 H new ATOM 0 HG2 GLN A 19 -7.372 -8.174 -1.363 1.00 12.52 H new ATOM 0 HG3 GLN A 19 -8.271 -7.853 -2.832 1.00 12.52 H new ATOM 0 HE21 GLN A 19 -5.205 -9.003 -1.483 1.00 63.24 H new ATOM 0 HE22 GLN A 19 -4.601 -9.752 -2.965 1.00 63.24 H new ATOM 327 N SER A 20 -9.002 -4.550 -3.699 1.00 75.24 N ATOM 328 CA SER A 20 -10.338 -4.231 -4.181 1.00 14.04 C ATOM 329 C SER A 20 -10.264 -3.793 -5.643 1.00 1.33 C ATOM 330 O SER A 20 -10.884 -4.399 -6.475 1.00 71.30 O ATOM 331 CB SER A 20 -10.987 -3.125 -3.322 1.00 71.12 C ATOM 332 OG SER A 20 -11.175 -3.551 -1.979 1.00 74.41 O ATOM 0 H SER A 20 -8.710 -3.992 -2.897 1.00 75.24 H new ATOM 0 HA SER A 20 -10.959 -5.123 -4.102 1.00 14.04 H new ATOM 0 HB2 SER A 20 -10.358 -2.235 -3.338 1.00 71.12 H new ATOM 0 HB3 SER A 20 -11.948 -2.844 -3.754 1.00 71.12 H new ATOM 0 HG SER A 20 -10.303 -3.680 -1.552 1.00 74.41 H new ATOM 338 N LEU A 21 -9.402 -2.807 -5.934 1.00 74.43 N ATOM 339 CA LEU A 21 -9.268 -2.208 -7.273 1.00 23.12 C ATOM 340 C LEU A 21 -8.809 -3.249 -8.308 1.00 12.44 C ATOM 341 O LEU A 21 -9.129 -3.121 -9.481 1.00 64.41 O ATOM 342 CB LEU A 21 -8.289 -0.992 -7.258 1.00 54.24 C ATOM 343 CG LEU A 21 -8.687 0.217 -6.358 1.00 52.31 C ATOM 344 CD1 LEU A 21 -7.731 1.416 -6.557 1.00 43.51 C ATOM 345 CD2 LEU A 21 -10.162 0.599 -6.564 1.00 21.04 C ATOM 0 H LEU A 21 -8.773 -2.399 -5.242 1.00 74.43 H new ATOM 0 HA LEU A 21 -10.255 -1.848 -7.564 1.00 23.12 H new ATOM 0 HB2 LEU A 21 -7.310 -1.347 -6.937 1.00 54.24 H new ATOM 0 HB3 LEU A 21 -8.178 -0.632 -8.281 1.00 54.24 H new ATOM 0 HG LEU A 21 -8.581 -0.090 -5.318 1.00 52.31 H new ATOM 0 HD11 LEU A 21 -8.041 2.239 -5.913 1.00 43.51 H new ATOM 0 HD12 LEU A 21 -6.715 1.117 -6.301 1.00 43.51 H new ATOM 0 HD13 LEU A 21 -7.763 1.738 -7.598 1.00 43.51 H new ATOM 0 HD21 LEU A 21 -10.412 1.445 -5.924 1.00 21.04 H new ATOM 0 HD22 LEU A 21 -10.325 0.872 -7.606 1.00 21.04 H new ATOM 0 HD23 LEU A 21 -10.797 -0.249 -6.308 1.00 21.04 H new ATOM 357 N LEU A 22 -8.073 -4.282 -7.846 1.00 53.21 N ATOM 358 CA LEU A 22 -7.623 -5.391 -8.703 1.00 41.20 C ATOM 359 C LEU A 22 -8.820 -6.264 -9.098 1.00 72.22 C ATOM 360 O LEU A 22 -9.075 -6.479 -10.292 1.00 74.12 O ATOM 361 CB LEU A 22 -6.531 -6.237 -7.994 1.00 60.33 C ATOM 362 CG LEU A 22 -5.993 -7.466 -8.794 1.00 44.45 C ATOM 363 CD1 LEU A 22 -5.394 -7.042 -10.149 1.00 4.24 C ATOM 364 CD2 LEU A 22 -4.982 -8.273 -7.957 1.00 43.14 C ATOM 0 H LEU A 22 -7.777 -4.368 -6.874 1.00 53.21 H new ATOM 0 HA LEU A 22 -7.180 -4.973 -9.607 1.00 41.20 H new ATOM 0 HB2 LEU A 22 -5.690 -5.585 -7.758 1.00 60.33 H new ATOM 0 HB3 LEU A 22 -6.934 -6.593 -7.046 1.00 60.33 H new ATOM 0 HG LEU A 22 -6.841 -8.117 -9.007 1.00 44.45 H new ATOM 0 HD11 LEU A 22 -5.030 -7.923 -10.678 1.00 4.24 H new ATOM 0 HD12 LEU A 22 -6.161 -6.551 -10.748 1.00 4.24 H new ATOM 0 HD13 LEU A 22 -4.567 -6.352 -9.981 1.00 4.24 H new ATOM 0 HD21 LEU A 22 -4.624 -9.122 -8.539 1.00 43.14 H new ATOM 0 HD22 LEU A 22 -4.139 -7.635 -7.690 1.00 43.14 H new ATOM 0 HD23 LEU A 22 -5.466 -8.633 -7.049 1.00 43.14 H new ATOM 376 N GLU A 23 -9.560 -6.727 -8.079 1.00 74.44 N ATOM 377 CA GLU A 23 -10.748 -7.568 -8.266 1.00 11.25 C ATOM 378 C GLU A 23 -11.797 -6.828 -9.126 1.00 51.35 C ATOM 379 O GLU A 23 -12.229 -7.338 -10.145 1.00 33.13 O ATOM 380 CB GLU A 23 -11.321 -7.960 -6.884 1.00 31.22 C ATOM 381 CG GLU A 23 -10.365 -8.809 -6.020 1.00 5.23 C ATOM 382 CD GLU A 23 -10.980 -9.197 -4.665 1.00 72.34 C ATOM 383 OE1 GLU A 23 -10.754 -8.476 -3.661 1.00 74.12 O ATOM 384 OE2 GLU A 23 -11.726 -10.205 -4.608 1.00 72.41 O ATOM 0 H GLU A 23 -9.349 -6.527 -7.101 1.00 74.44 H new ATOM 0 HA GLU A 23 -10.474 -8.480 -8.796 1.00 11.25 H new ATOM 0 HB2 GLU A 23 -11.576 -7.052 -6.338 1.00 31.22 H new ATOM 0 HB3 GLU A 23 -12.248 -8.514 -7.032 1.00 31.22 H new ATOM 0 HG2 GLU A 23 -10.095 -9.714 -6.565 1.00 5.23 H new ATOM 0 HG3 GLU A 23 -9.443 -8.252 -5.850 1.00 5.23 H new ATOM 391 N LEU A 24 -12.128 -5.601 -8.698 1.00 65.40 N ATOM 392 CA LEU A 24 -13.050 -4.672 -9.387 1.00 32.22 C ATOM 393 C LEU A 24 -12.648 -4.437 -10.859 1.00 72.01 C ATOM 394 O LEU A 24 -13.507 -4.422 -11.730 1.00 44.43 O ATOM 395 CB LEU A 24 -13.109 -3.311 -8.632 1.00 75.11 C ATOM 396 CG LEU A 24 -13.637 -3.343 -7.166 1.00 71.22 C ATOM 397 CD1 LEU A 24 -13.500 -1.959 -6.495 1.00 71.44 C ATOM 398 CD2 LEU A 24 -15.076 -3.876 -7.092 1.00 23.45 C ATOM 0 H LEU A 24 -11.751 -5.210 -7.834 1.00 65.40 H new ATOM 0 HA LEU A 24 -14.036 -5.136 -9.384 1.00 32.22 H new ATOM 0 HB2 LEU A 24 -12.106 -2.884 -8.623 1.00 75.11 H new ATOM 0 HB3 LEU A 24 -13.739 -2.631 -9.205 1.00 75.11 H new ATOM 0 HG LEU A 24 -13.014 -4.040 -6.606 1.00 71.22 H new ATOM 0 HD11 LEU A 24 -13.876 -2.011 -5.473 1.00 71.44 H new ATOM 0 HD12 LEU A 24 -12.451 -1.664 -6.481 1.00 71.44 H new ATOM 0 HD13 LEU A 24 -14.076 -1.224 -7.057 1.00 71.44 H new ATOM 0 HD21 LEU A 24 -15.408 -3.883 -6.054 1.00 23.45 H new ATOM 0 HD22 LEU A 24 -15.733 -3.234 -7.679 1.00 23.45 H new ATOM 0 HD23 LEU A 24 -15.109 -4.890 -7.491 1.00 23.45 H new ATOM 410 N ALA A 25 -11.335 -4.261 -11.115 1.00 74.02 N ATOM 411 CA ALA A 25 -10.796 -4.092 -12.487 1.00 11.24 C ATOM 412 C ALA A 25 -11.150 -5.299 -13.367 1.00 35.33 C ATOM 413 O ALA A 25 -11.646 -5.148 -14.488 1.00 14.24 O ATOM 414 CB ALA A 25 -9.275 -3.909 -12.445 1.00 13.35 C ATOM 0 H ALA A 25 -10.622 -4.232 -10.386 1.00 74.02 H new ATOM 0 HA ALA A 25 -11.251 -3.201 -12.919 1.00 11.24 H new ATOM 0 HB1 ALA A 25 -8.895 -3.786 -13.459 1.00 13.35 H new ATOM 0 HB2 ALA A 25 -9.031 -3.024 -11.857 1.00 13.35 H new ATOM 0 HB3 ALA A 25 -8.815 -4.786 -11.989 1.00 13.35 H new ATOM 420 N GLN A 26 -10.909 -6.494 -12.812 1.00 23.32 N ATOM 421 CA GLN A 26 -11.205 -7.773 -13.482 1.00 23.44 C ATOM 422 C GLN A 26 -12.737 -7.971 -13.661 1.00 65.21 C ATOM 423 O GLN A 26 -13.182 -8.603 -14.622 1.00 33.13 O ATOM 424 CB GLN A 26 -10.593 -8.935 -12.655 1.00 65.35 C ATOM 425 CG GLN A 26 -9.059 -8.842 -12.456 1.00 12.53 C ATOM 426 CD GLN A 26 -8.509 -9.865 -11.453 1.00 73.33 C ATOM 427 OE1 GLN A 26 -9.201 -10.276 -10.520 1.00 41.43 O ATOM 428 NE2 GLN A 26 -7.260 -10.275 -11.631 1.00 23.13 N ATOM 0 H GLN A 26 -10.502 -6.604 -11.883 1.00 23.32 H new ATOM 0 HA GLN A 26 -10.760 -7.764 -14.477 1.00 23.44 H new ATOM 0 HB2 GLN A 26 -11.073 -8.960 -11.677 1.00 65.35 H new ATOM 0 HB3 GLN A 26 -10.826 -9.878 -13.149 1.00 65.35 H new ATOM 0 HG2 GLN A 26 -8.566 -8.987 -13.418 1.00 12.53 H new ATOM 0 HG3 GLN A 26 -8.805 -7.838 -12.115 1.00 12.53 H new ATOM 0 HE21 GLN A 26 -6.712 -9.916 -12.413 1.00 23.13 H new ATOM 0 HE22 GLN A 26 -6.848 -10.949 -10.986 1.00 23.13 H new ATOM 437 N ARG A 27 -13.524 -7.404 -12.722 1.00 75.45 N ATOM 438 CA ARG A 27 -15.006 -7.454 -12.746 1.00 1.14 C ATOM 439 C ARG A 27 -15.589 -6.426 -13.751 1.00 43.12 C ATOM 440 O ARG A 27 -16.755 -6.529 -14.141 1.00 73.13 O ATOM 441 CB ARG A 27 -15.578 -7.174 -11.321 1.00 23.31 C ATOM 442 CG ARG A 27 -15.171 -8.188 -10.220 1.00 61.04 C ATOM 443 CD ARG A 27 -15.567 -7.717 -8.802 1.00 73.11 C ATOM 444 NE ARG A 27 -14.940 -8.531 -7.741 1.00 23.42 N ATOM 445 CZ ARG A 27 -15.054 -8.306 -6.412 1.00 52.43 C ATOM 446 NH1 ARG A 27 -15.781 -7.291 -5.941 1.00 31.10 N ATOM 447 NH2 ARG A 27 -14.424 -9.099 -5.554 1.00 70.24 N ATOM 0 H ARG A 27 -13.150 -6.896 -11.921 1.00 75.45 H new ATOM 0 HA ARG A 27 -15.299 -8.453 -13.067 1.00 1.14 H new ATOM 0 HB2 ARG A 27 -15.257 -6.180 -11.010 1.00 23.31 H new ATOM 0 HB3 ARG A 27 -16.666 -7.152 -11.384 1.00 23.31 H new ATOM 0 HG2 ARG A 27 -15.643 -9.149 -10.424 1.00 61.04 H new ATOM 0 HG3 ARG A 27 -14.093 -8.347 -10.258 1.00 61.04 H new ATOM 0 HD2 ARG A 27 -15.277 -6.674 -8.675 1.00 73.11 H new ATOM 0 HD3 ARG A 27 -16.651 -7.762 -8.697 1.00 73.11 H new ATOM 0 HE ARG A 27 -14.375 -9.328 -8.034 1.00 23.42 H new ATOM 0 HH11 ARG A 27 -16.264 -6.667 -6.587 1.00 31.10 H new ATOM 0 HH12 ARG A 27 -15.854 -7.139 -4.935 1.00 31.10 H new ATOM 0 HH21 ARG A 27 -13.857 -9.874 -5.898 1.00 70.24 H new ATOM 0 HH22 ARG A 27 -14.507 -8.933 -4.551 1.00 70.24 H new ATOM 461 N GLY A 28 -14.768 -5.434 -14.146 1.00 1.00 N ATOM 462 CA GLY A 28 -15.191 -4.362 -15.067 1.00 2.15 C ATOM 463 C GLY A 28 -15.723 -3.120 -14.355 1.00 51.13 C ATOM 464 O GLY A 28 -16.263 -2.216 -14.997 1.00 0.54 O ATOM 0 H GLY A 28 -13.799 -5.353 -13.838 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -14.345 -4.078 -15.693 1.00 2.15 H new ATOM 0 HA3 GLY A 28 -15.964 -4.749 -15.731 1.00 2.15 H new ATOM 468 N GLU A 29 -15.563 -3.078 -13.028 1.00 51.32 N ATOM 469 CA GLU A 29 -15.974 -1.946 -12.174 1.00 13.31 C ATOM 470 C GLU A 29 -14.900 -0.828 -12.178 1.00 5.52 C ATOM 471 O GLU A 29 -14.453 -0.368 -11.119 1.00 42.51 O ATOM 472 CB GLU A 29 -16.235 -2.470 -10.729 1.00 71.14 C ATOM 473 CG GLU A 29 -17.132 -3.724 -10.635 1.00 72.21 C ATOM 474 CD GLU A 29 -18.571 -3.501 -11.132 1.00 31.04 C ATOM 475 OE1 GLU A 29 -18.815 -3.592 -12.350 1.00 11.12 O ATOM 476 OE2 GLU A 29 -19.467 -3.239 -10.304 1.00 11.01 O ATOM 0 H GLU A 29 -15.137 -3.841 -12.503 1.00 51.32 H new ATOM 0 HA GLU A 29 -16.892 -1.510 -12.569 1.00 13.31 H new ATOM 0 HB2 GLU A 29 -15.276 -2.694 -10.262 1.00 71.14 H new ATOM 0 HB3 GLU A 29 -16.694 -1.670 -10.147 1.00 71.14 H new ATOM 0 HG2 GLU A 29 -16.678 -4.527 -11.215 1.00 72.21 H new ATOM 0 HG3 GLU A 29 -17.164 -4.059 -9.598 1.00 72.21 H new ATOM 483 N TRP A 30 -14.523 -0.372 -13.392 1.00 73.11 N ATOM 484 CA TRP A 30 -13.457 0.637 -13.602 1.00 44.23 C ATOM 485 C TRP A 30 -13.824 1.993 -12.972 1.00 61.22 C ATOM 486 O TRP A 30 -12.940 2.747 -12.559 1.00 0.21 O ATOM 487 CB TRP A 30 -13.170 0.806 -15.119 1.00 51.32 C ATOM 488 CG TRP A 30 -12.759 -0.482 -15.809 1.00 3.11 C ATOM 489 CD1 TRP A 30 -13.536 -1.277 -16.607 1.00 41.44 C ATOM 490 CD2 TRP A 30 -11.471 -1.124 -15.747 1.00 34.44 C ATOM 491 NE1 TRP A 30 -12.821 -2.369 -17.027 1.00 54.31 N ATOM 492 CE2 TRP A 30 -11.552 -2.294 -16.523 1.00 70.00 C ATOM 493 CE3 TRP A 30 -10.258 -0.820 -15.118 1.00 22.32 C ATOM 494 CZ2 TRP A 30 -10.477 -3.163 -16.681 1.00 62.22 C ATOM 495 CZ3 TRP A 30 -9.193 -1.686 -15.275 1.00 41.25 C ATOM 496 CH2 TRP A 30 -9.309 -2.841 -16.055 1.00 33.04 C ATOM 0 H TRP A 30 -14.951 -0.694 -14.260 1.00 73.11 H new ATOM 0 HA TRP A 30 -12.556 0.277 -13.105 1.00 44.23 H new ATOM 0 HB2 TRP A 30 -14.061 1.201 -15.607 1.00 51.32 H new ATOM 0 HB3 TRP A 30 -12.381 1.546 -15.250 1.00 51.32 H new ATOM 0 HD1 TRP A 30 -14.564 -1.074 -16.868 1.00 41.44 H new ATOM 0 HE1 TRP A 30 -13.178 -3.118 -17.620 1.00 54.31 H new ATOM 0 HE3 TRP A 30 -10.157 0.074 -14.521 1.00 22.32 H new ATOM 0 HZ2 TRP A 30 -10.564 -4.059 -17.277 1.00 62.22 H new ATOM 0 HZ3 TRP A 30 -8.255 -1.467 -14.787 1.00 41.25 H new ATOM 0 HH2 TRP A 30 -8.455 -3.492 -16.164 1.00 33.04 H new ATOM 507 N ASP A 31 -15.142 2.268 -12.899 1.00 21.41 N ATOM 508 CA ASP A 31 -15.691 3.463 -12.230 1.00 2.40 C ATOM 509 C ASP A 31 -15.161 3.567 -10.791 1.00 4.41 C ATOM 510 O ASP A 31 -14.686 4.614 -10.380 1.00 42.34 O ATOM 511 CB ASP A 31 -17.244 3.411 -12.199 1.00 34.22 C ATOM 512 CG ASP A 31 -17.904 3.455 -13.591 1.00 14.42 C ATOM 513 OD1 ASP A 31 -18.485 4.503 -13.966 1.00 53.42 O ATOM 514 OD2 ASP A 31 -17.845 2.437 -14.317 1.00 35.25 O ATOM 0 H ASP A 31 -15.858 1.665 -13.304 1.00 21.41 H new ATOM 0 HA ASP A 31 -15.373 4.338 -12.797 1.00 2.40 H new ATOM 0 HB2 ASP A 31 -17.556 2.499 -11.690 1.00 34.22 H new ATOM 0 HB3 ASP A 31 -17.613 4.249 -11.607 1.00 34.22 H new ATOM 519 N LEU A 32 -15.203 2.428 -10.074 1.00 30.24 N ATOM 520 CA LEU A 32 -14.809 2.349 -8.657 1.00 74.22 C ATOM 521 C LEU A 32 -13.289 2.592 -8.480 1.00 22.30 C ATOM 522 O LEU A 32 -12.865 3.087 -7.444 1.00 73.53 O ATOM 523 CB LEU A 32 -15.239 0.981 -8.054 1.00 32.43 C ATOM 524 CG LEU A 32 -16.759 0.620 -8.160 1.00 42.14 C ATOM 525 CD1 LEU A 32 -17.062 -0.712 -7.453 1.00 11.51 C ATOM 526 CD2 LEU A 32 -17.660 1.745 -7.622 1.00 34.12 C ATOM 0 H LEU A 32 -15.511 1.537 -10.462 1.00 30.24 H new ATOM 0 HA LEU A 32 -15.326 3.140 -8.113 1.00 74.22 H new ATOM 0 HB2 LEU A 32 -14.666 0.195 -8.547 1.00 32.43 H new ATOM 0 HB3 LEU A 32 -14.957 0.968 -7.001 1.00 32.43 H new ATOM 0 HG LEU A 32 -16.986 0.504 -9.220 1.00 42.14 H new ATOM 0 HD11 LEU A 32 -18.125 -0.938 -7.542 1.00 11.51 H new ATOM 0 HD12 LEU A 32 -16.481 -1.510 -7.916 1.00 11.51 H new ATOM 0 HD13 LEU A 32 -16.795 -0.633 -6.399 1.00 11.51 H new ATOM 0 HD21 LEU A 32 -18.705 1.450 -7.716 1.00 34.12 H new ATOM 0 HD22 LEU A 32 -17.427 1.927 -6.573 1.00 34.12 H new ATOM 0 HD23 LEU A 32 -17.487 2.656 -8.196 1.00 34.12 H new ATOM 538 N LEU A 33 -12.485 2.256 -9.516 1.00 53.45 N ATOM 539 CA LEU A 33 -11.031 2.562 -9.548 1.00 72.42 C ATOM 540 C LEU A 33 -10.812 4.082 -9.672 1.00 24.12 C ATOM 541 O LEU A 33 -9.965 4.664 -8.980 1.00 51.22 O ATOM 542 CB LEU A 33 -10.298 1.818 -10.715 1.00 15.32 C ATOM 543 CG LEU A 33 -9.996 0.293 -10.509 1.00 1.41 C ATOM 544 CD1 LEU A 33 -11.271 -0.564 -10.467 1.00 23.32 C ATOM 545 CD2 LEU A 33 -9.001 -0.219 -11.574 1.00 21.23 C ATOM 0 H LEU A 33 -12.820 1.769 -10.347 1.00 53.45 H new ATOM 0 HA LEU A 33 -10.602 2.206 -8.611 1.00 72.42 H new ATOM 0 HB2 LEU A 33 -10.901 1.925 -11.617 1.00 15.32 H new ATOM 0 HB3 LEU A 33 -9.353 2.328 -10.901 1.00 15.32 H new ATOM 0 HG LEU A 33 -9.529 0.190 -9.529 1.00 1.41 H new ATOM 0 HD11 LEU A 33 -11.002 -1.610 -10.323 1.00 23.32 H new ATOM 0 HD12 LEU A 33 -11.904 -0.235 -9.643 1.00 23.32 H new ATOM 0 HD13 LEU A 33 -11.813 -0.455 -11.406 1.00 23.32 H new ATOM 0 HD21 LEU A 33 -8.807 -1.279 -11.411 1.00 21.23 H new ATOM 0 HD22 LEU A 33 -9.426 -0.077 -12.567 1.00 21.23 H new ATOM 0 HD23 LEU A 33 -8.067 0.337 -11.496 1.00 21.23 H new ATOM 557 N LEU A 34 -11.601 4.705 -10.561 1.00 11.23 N ATOM 558 CA LEU A 34 -11.559 6.161 -10.805 1.00 14.31 C ATOM 559 C LEU A 34 -11.990 6.957 -9.546 1.00 73.02 C ATOM 560 O LEU A 34 -11.429 8.012 -9.251 1.00 14.34 O ATOM 561 CB LEU A 34 -12.463 6.506 -12.023 1.00 35.44 C ATOM 562 CG LEU A 34 -12.128 5.762 -13.356 1.00 13.14 C ATOM 563 CD1 LEU A 34 -13.128 6.120 -14.475 1.00 31.14 C ATOM 564 CD2 LEU A 34 -10.675 6.014 -13.792 1.00 35.32 C ATOM 0 H LEU A 34 -12.288 4.215 -11.134 1.00 11.23 H new ATOM 0 HA LEU A 34 -10.533 6.451 -11.030 1.00 14.31 H new ATOM 0 HB2 LEU A 34 -13.497 6.286 -11.757 1.00 35.44 H new ATOM 0 HB3 LEU A 34 -12.402 7.579 -12.204 1.00 35.44 H new ATOM 0 HG LEU A 34 -12.229 4.694 -13.165 1.00 13.14 H new ATOM 0 HD11 LEU A 34 -12.862 5.583 -15.386 1.00 31.14 H new ATOM 0 HD12 LEU A 34 -14.135 5.837 -14.168 1.00 31.14 H new ATOM 0 HD13 LEU A 34 -13.095 7.193 -14.663 1.00 31.14 H new ATOM 0 HD21 LEU A 34 -10.477 5.482 -14.722 1.00 35.32 H new ATOM 0 HD22 LEU A 34 -10.521 7.082 -13.945 1.00 35.32 H new ATOM 0 HD23 LEU A 34 -9.996 5.657 -13.018 1.00 35.32 H new ATOM 576 N GLN A 35 -12.982 6.417 -8.808 1.00 51.41 N ATOM 577 CA GLN A 35 -13.479 7.019 -7.549 1.00 4.34 C ATOM 578 C GLN A 35 -12.419 6.894 -6.443 1.00 64.12 C ATOM 579 O GLN A 35 -12.045 7.886 -5.801 1.00 72.12 O ATOM 580 CB GLN A 35 -14.797 6.326 -7.097 1.00 14.13 C ATOM 581 CG GLN A 35 -15.939 6.395 -8.129 1.00 12.10 C ATOM 582 CD GLN A 35 -17.241 5.739 -7.661 1.00 33.14 C ATOM 583 OE1 GLN A 35 -17.238 4.830 -6.831 1.00 64.51 O ATOM 584 NE2 GLN A 35 -18.362 6.172 -8.219 1.00 71.34 N ATOM 0 H GLN A 35 -13.461 5.554 -9.065 1.00 51.41 H new ATOM 0 HA GLN A 35 -13.681 8.075 -7.730 1.00 4.34 H new ATOM 0 HB2 GLN A 35 -14.586 5.280 -6.876 1.00 14.13 H new ATOM 0 HB3 GLN A 35 -15.135 6.786 -6.168 1.00 14.13 H new ATOM 0 HG2 GLN A 35 -16.136 7.440 -8.368 1.00 12.10 H new ATOM 0 HG3 GLN A 35 -15.612 5.913 -9.050 1.00 12.10 H new ATOM 0 HE21 GLN A 35 -18.332 6.927 -8.904 1.00 71.34 H new ATOM 0 HE22 GLN A 35 -19.255 5.750 -7.964 1.00 71.34 H new ATOM 593 N GLN A 36 -11.926 5.654 -6.257 1.00 45.11 N ATOM 594 CA GLN A 36 -10.937 5.312 -5.215 1.00 73.42 C ATOM 595 C GLN A 36 -9.541 5.880 -5.504 1.00 31.13 C ATOM 596 O GLN A 36 -8.699 5.840 -4.622 1.00 21.13 O ATOM 597 CB GLN A 36 -10.844 3.773 -5.012 1.00 14.24 C ATOM 598 CG GLN A 36 -12.031 3.128 -4.263 1.00 33.45 C ATOM 599 CD GLN A 36 -12.153 3.564 -2.799 1.00 32.45 C ATOM 600 OE1 GLN A 36 -11.159 3.872 -2.135 1.00 53.12 O ATOM 601 NE2 GLN A 36 -13.373 3.589 -2.280 1.00 31.42 N ATOM 0 H GLN A 36 -12.204 4.856 -6.829 1.00 45.11 H new ATOM 0 HA GLN A 36 -11.297 5.778 -4.298 1.00 73.42 H new ATOM 0 HB2 GLN A 36 -10.754 3.300 -5.990 1.00 14.24 H new ATOM 0 HB3 GLN A 36 -9.928 3.551 -4.465 1.00 14.24 H new ATOM 0 HG2 GLN A 36 -12.955 3.377 -4.784 1.00 33.45 H new ATOM 0 HG3 GLN A 36 -11.926 2.044 -4.301 1.00 33.45 H new ATOM 0 HE21 GLN A 36 -14.176 3.329 -2.853 1.00 31.42 H new ATOM 0 HE22 GLN A 36 -13.508 3.868 -1.308 1.00 31.42 H new ATOM 610 N GLU A 37 -9.283 6.344 -6.747 1.00 33.21 N ATOM 611 CA GLU A 37 -8.011 7.027 -7.101 1.00 35.00 C ATOM 612 C GLU A 37 -7.617 8.073 -6.033 1.00 73.12 C ATOM 613 O GLU A 37 -6.504 8.032 -5.499 1.00 61.12 O ATOM 614 CB GLU A 37 -8.117 7.721 -8.483 1.00 71.33 C ATOM 615 CG GLU A 37 -6.857 8.524 -8.878 1.00 11.43 C ATOM 616 CD GLU A 37 -7.008 9.339 -10.172 1.00 35.30 C ATOM 617 OE1 GLU A 37 -7.716 10.369 -10.156 1.00 41.02 O ATOM 618 OE2 GLU A 37 -6.403 8.974 -11.202 1.00 45.14 O ATOM 0 H GLU A 37 -9.937 6.259 -7.525 1.00 33.21 H new ATOM 0 HA GLU A 37 -7.238 6.259 -7.144 1.00 35.00 H new ATOM 0 HB2 GLU A 37 -8.308 6.965 -9.245 1.00 71.33 H new ATOM 0 HB3 GLU A 37 -8.976 8.392 -8.477 1.00 71.33 H new ATOM 0 HG2 GLU A 37 -6.602 9.201 -8.063 1.00 11.43 H new ATOM 0 HG3 GLU A 37 -6.021 7.834 -8.992 1.00 11.43 H new ATOM 625 N VAL A 38 -8.576 8.958 -5.702 1.00 20.21 N ATOM 626 CA VAL A 38 -8.373 10.034 -4.722 1.00 55.13 C ATOM 627 C VAL A 38 -8.031 9.451 -3.332 1.00 3.40 C ATOM 628 O VAL A 38 -6.987 9.759 -2.779 1.00 60.44 O ATOM 629 CB VAL A 38 -9.637 10.975 -4.629 1.00 55.14 C ATOM 630 CG1 VAL A 38 -9.444 12.097 -3.585 1.00 72.51 C ATOM 631 CG2 VAL A 38 -9.990 11.567 -6.012 1.00 43.21 C ATOM 0 H VAL A 38 -9.512 8.945 -6.108 1.00 20.21 H new ATOM 0 HA VAL A 38 -7.531 10.636 -5.064 1.00 55.13 H new ATOM 0 HB VAL A 38 -10.473 10.360 -4.296 1.00 55.14 H new ATOM 0 HG11 VAL A 38 -10.337 12.722 -3.553 1.00 72.51 H new ATOM 0 HG12 VAL A 38 -9.275 11.655 -2.603 1.00 72.51 H new ATOM 0 HG13 VAL A 38 -8.584 12.707 -3.861 1.00 72.51 H new ATOM 0 HG21 VAL A 38 -10.864 12.211 -5.920 1.00 43.21 H new ATOM 0 HG22 VAL A 38 -9.147 12.150 -6.384 1.00 43.21 H new ATOM 0 HG23 VAL A 38 -10.208 10.758 -6.709 1.00 43.21 H new ATOM 641 N SER A 39 -8.895 8.557 -2.830 1.00 2.40 N ATOM 642 CA SER A 39 -8.798 8.008 -1.463 1.00 32.10 C ATOM 643 C SER A 39 -7.526 7.144 -1.259 1.00 43.54 C ATOM 644 O SER A 39 -6.760 7.370 -0.322 1.00 71.44 O ATOM 645 CB SER A 39 -10.070 7.193 -1.166 1.00 35.30 C ATOM 646 OG SER A 39 -11.237 7.979 -1.375 1.00 51.01 O ATOM 0 H SER A 39 -9.685 8.191 -3.360 1.00 2.40 H new ATOM 0 HA SER A 39 -8.714 8.839 -0.763 1.00 32.10 H new ATOM 0 HB2 SER A 39 -10.100 6.312 -1.807 1.00 35.30 H new ATOM 0 HB3 SER A 39 -10.046 6.837 -0.136 1.00 35.30 H new ATOM 0 HG SER A 39 -12.033 7.441 -1.182 1.00 51.01 H new ATOM 652 N TYR A 40 -7.329 6.172 -2.162 1.00 52.32 N ATOM 653 CA TYR A 40 -6.196 5.223 -2.146 1.00 63.13 C ATOM 654 C TYR A 40 -4.842 5.944 -2.258 1.00 4.13 C ATOM 655 O TYR A 40 -3.938 5.716 -1.440 1.00 15.12 O ATOM 656 CB TYR A 40 -6.380 4.193 -3.302 1.00 71.34 C ATOM 657 CG TYR A 40 -5.178 3.276 -3.595 1.00 41.21 C ATOM 658 CD1 TYR A 40 -4.731 2.337 -2.667 1.00 55.44 C ATOM 659 CD2 TYR A 40 -4.500 3.341 -4.819 1.00 52.13 C ATOM 660 CE1 TYR A 40 -3.654 1.515 -2.940 1.00 12.32 C ATOM 661 CE2 TYR A 40 -3.420 2.520 -5.093 1.00 34.14 C ATOM 662 CZ TYR A 40 -3.004 1.605 -4.153 1.00 43.11 C ATOM 663 OH TYR A 40 -1.925 0.779 -4.422 1.00 11.01 O ATOM 0 H TYR A 40 -7.966 6.017 -2.944 1.00 52.32 H new ATOM 0 HA TYR A 40 -6.191 4.701 -1.189 1.00 63.13 H new ATOM 0 HB2 TYR A 40 -7.240 3.566 -3.068 1.00 71.34 H new ATOM 0 HB3 TYR A 40 -6.623 4.740 -4.213 1.00 71.34 H new ATOM 0 HD1 TYR A 40 -5.236 2.250 -1.716 1.00 55.44 H new ATOM 0 HD2 TYR A 40 -4.828 4.048 -5.566 1.00 52.13 H new ATOM 0 HE1 TYR A 40 -3.321 0.801 -2.202 1.00 12.32 H new ATOM 0 HE2 TYR A 40 -2.906 2.597 -6.040 1.00 34.14 H new ATOM 0 HH TYR A 40 -1.805 0.146 -3.683 1.00 11.01 H new ATOM 673 N LEU A 41 -4.714 6.815 -3.270 1.00 54.00 N ATOM 674 CA LEU A 41 -3.440 7.484 -3.560 1.00 54.23 C ATOM 675 C LEU A 41 -3.173 8.649 -2.580 1.00 75.32 C ATOM 676 O LEU A 41 -2.014 8.983 -2.336 1.00 54.23 O ATOM 677 CB LEU A 41 -3.393 7.888 -5.059 1.00 20.45 C ATOM 678 CG LEU A 41 -3.370 6.665 -6.050 1.00 32.52 C ATOM 679 CD1 LEU A 41 -3.682 7.066 -7.501 1.00 2.03 C ATOM 680 CD2 LEU A 41 -2.030 5.905 -5.961 1.00 33.20 C ATOM 0 H LEU A 41 -5.475 7.071 -3.899 1.00 54.00 H new ATOM 0 HA LEU A 41 -2.615 6.791 -3.394 1.00 54.23 H new ATOM 0 HB2 LEU A 41 -4.260 8.509 -5.285 1.00 20.45 H new ATOM 0 HB3 LEU A 41 -2.508 8.500 -5.232 1.00 20.45 H new ATOM 0 HG LEU A 41 -4.170 5.995 -5.735 1.00 32.52 H new ATOM 0 HD11 LEU A 41 -3.652 6.182 -8.137 1.00 2.03 H new ATOM 0 HD12 LEU A 41 -4.675 7.514 -7.549 1.00 2.03 H new ATOM 0 HD13 LEU A 41 -2.941 7.787 -7.846 1.00 2.03 H new ATOM 0 HD21 LEU A 41 -2.041 5.065 -6.656 1.00 33.20 H new ATOM 0 HD22 LEU A 41 -1.212 6.578 -6.218 1.00 33.20 H new ATOM 0 HD23 LEU A 41 -1.889 5.534 -4.946 1.00 33.20 H new ATOM 692 N GLN A 42 -4.238 9.211 -1.965 1.00 33.22 N ATOM 693 CA GLN A 42 -4.082 10.158 -0.833 1.00 61.01 C ATOM 694 C GLN A 42 -3.496 9.414 0.380 1.00 25.42 C ATOM 695 O GLN A 42 -2.575 9.909 1.025 1.00 65.45 O ATOM 696 CB GLN A 42 -5.436 10.812 -0.447 1.00 23.21 C ATOM 697 CG GLN A 42 -5.356 11.830 0.705 1.00 50.23 C ATOM 698 CD GLN A 42 -6.719 12.408 1.118 1.00 3.43 C ATOM 699 OE1 GLN A 42 -7.639 12.528 0.310 1.00 4.21 O ATOM 700 NE2 GLN A 42 -6.844 12.775 2.386 1.00 64.33 N ATOM 0 H GLN A 42 -5.206 9.029 -2.229 1.00 33.22 H new ATOM 0 HA GLN A 42 -3.405 10.953 -1.144 1.00 61.01 H new ATOM 0 HB2 GLN A 42 -5.846 11.310 -1.325 1.00 23.21 H new ATOM 0 HB3 GLN A 42 -6.138 10.025 -0.170 1.00 23.21 H new ATOM 0 HG2 GLN A 42 -4.898 11.350 1.570 1.00 50.23 H new ATOM 0 HG3 GLN A 42 -4.699 12.648 0.409 1.00 50.23 H new ATOM 0 HE21 GLN A 42 -6.061 12.661 3.029 1.00 64.33 H new ATOM 0 HE22 GLN A 42 -7.723 13.171 2.718 1.00 64.33 H new ATOM 709 N SER A 43 -4.035 8.209 0.653 1.00 52.43 N ATOM 710 CA SER A 43 -3.586 7.356 1.771 1.00 21.42 C ATOM 711 C SER A 43 -2.102 6.966 1.626 1.00 3.24 C ATOM 712 O SER A 43 -1.346 7.029 2.602 1.00 54.51 O ATOM 713 CB SER A 43 -4.468 6.088 1.882 1.00 24.22 C ATOM 714 OG SER A 43 -5.807 6.416 2.222 1.00 71.33 O ATOM 0 H SER A 43 -4.793 7.801 0.106 1.00 52.43 H new ATOM 0 HA SER A 43 -3.691 7.937 2.687 1.00 21.42 H new ATOM 0 HB2 SER A 43 -4.453 5.549 0.935 1.00 24.22 H new ATOM 0 HB3 SER A 43 -4.053 5.419 2.636 1.00 24.22 H new ATOM 0 HG SER A 43 -6.269 6.766 1.432 1.00 71.33 H new ATOM 720 N ILE A 44 -1.690 6.592 0.398 1.00 31.24 N ATOM 721 CA ILE A 44 -0.305 6.156 0.131 1.00 32.23 C ATOM 722 C ILE A 44 0.674 7.351 0.261 1.00 11.22 C ATOM 723 O ILE A 44 1.750 7.202 0.850 1.00 30.42 O ATOM 724 CB ILE A 44 -0.175 5.402 -1.257 1.00 54.44 C ATOM 725 CG1 ILE A 44 1.093 4.496 -1.312 1.00 33.02 C ATOM 726 CG2 ILE A 44 -0.183 6.366 -2.458 1.00 13.31 C ATOM 727 CD1 ILE A 44 1.164 3.602 -2.550 1.00 4.22 C ATOM 0 H ILE A 44 -2.295 6.583 -0.423 1.00 31.24 H new ATOM 0 HA ILE A 44 -0.026 5.424 0.889 1.00 32.23 H new ATOM 0 HB ILE A 44 -1.059 4.768 -1.331 1.00 54.44 H new ATOM 0 HG12 ILE A 44 1.980 5.128 -1.281 1.00 33.02 H new ATOM 0 HG13 ILE A 44 1.118 3.868 -0.421 1.00 33.02 H new ATOM 0 HG21 ILE A 44 -0.091 5.796 -3.383 1.00 13.31 H new ATOM 0 HG22 ILE A 44 -1.118 6.927 -2.468 1.00 13.31 H new ATOM 0 HG23 ILE A 44 0.654 7.059 -2.374 1.00 13.31 H new ATOM 0 HD11 ILE A 44 2.074 3.003 -2.515 1.00 4.22 H new ATOM 0 HD12 ILE A 44 0.296 2.943 -2.573 1.00 4.22 H new ATOM 0 HD13 ILE A 44 1.172 4.222 -3.446 1.00 4.22 H new ATOM 739 N GLU A 45 0.262 8.543 -0.243 1.00 12.41 N ATOM 740 CA GLU A 45 1.021 9.804 -0.053 1.00 5.05 C ATOM 741 C GLU A 45 1.190 10.122 1.455 1.00 62.05 C ATOM 742 O GLU A 45 2.277 10.499 1.890 1.00 25.11 O ATOM 743 CB GLU A 45 0.306 10.979 -0.774 1.00 24.11 C ATOM 744 CG GLU A 45 0.356 10.947 -2.318 1.00 31.00 C ATOM 745 CD GLU A 45 1.714 11.359 -2.918 1.00 21.21 C ATOM 746 OE1 GLU A 45 1.932 12.572 -3.117 1.00 1.44 O ATOM 747 OE2 GLU A 45 2.563 10.486 -3.199 1.00 4.21 O ATOM 0 H GLU A 45 -0.594 8.656 -0.785 1.00 12.41 H new ATOM 0 HA GLU A 45 2.011 9.675 -0.490 1.00 5.05 H new ATOM 0 HB2 GLU A 45 -0.739 10.990 -0.463 1.00 24.11 H new ATOM 0 HB3 GLU A 45 0.750 11.914 -0.434 1.00 24.11 H new ATOM 0 HG2 GLU A 45 0.113 9.940 -2.657 1.00 31.00 H new ATOM 0 HG3 GLU A 45 -0.416 11.610 -2.709 1.00 31.00 H new ATOM 754 N THR A 46 0.096 9.923 2.229 1.00 10.52 N ATOM 755 CA THR A 46 0.057 10.181 3.686 1.00 34.42 C ATOM 756 C THR A 46 1.059 9.287 4.448 1.00 1.33 C ATOM 757 O THR A 46 1.773 9.767 5.328 1.00 51.53 O ATOM 758 CB THR A 46 -1.395 9.998 4.259 1.00 41.32 C ATOM 759 OG1 THR A 46 -2.282 10.938 3.631 1.00 35.24 O ATOM 760 CG2 THR A 46 -1.479 10.193 5.792 1.00 0.40 C ATOM 0 H THR A 46 -0.788 9.577 1.856 1.00 10.52 H new ATOM 0 HA THR A 46 0.354 11.219 3.837 1.00 34.42 H new ATOM 0 HB THR A 46 -1.684 8.970 4.042 1.00 41.32 H new ATOM 0 HG1 THR A 46 -2.447 10.664 2.705 1.00 35.24 H new ATOM 0 HG21 THR A 46 -2.509 10.053 6.121 1.00 0.40 H new ATOM 0 HG22 THR A 46 -0.837 9.464 6.287 1.00 0.40 H new ATOM 0 HG23 THR A 46 -1.150 11.200 6.049 1.00 0.40 H new ATOM 768 N VAL A 47 1.128 7.996 4.090 1.00 3.35 N ATOM 769 CA VAL A 47 2.066 7.048 4.730 1.00 44.31 C ATOM 770 C VAL A 47 3.532 7.395 4.374 1.00 23.31 C ATOM 771 O VAL A 47 4.405 7.378 5.248 1.00 54.24 O ATOM 772 CB VAL A 47 1.738 5.560 4.343 1.00 13.52 C ATOM 773 CG1 VAL A 47 2.705 4.564 5.022 1.00 32.12 C ATOM 774 CG2 VAL A 47 0.275 5.223 4.686 1.00 63.03 C ATOM 0 H VAL A 47 0.548 7.580 3.362 1.00 3.35 H new ATOM 0 HA VAL A 47 1.942 7.145 5.809 1.00 44.31 H new ATOM 0 HB VAL A 47 1.875 5.461 3.266 1.00 13.52 H new ATOM 0 HG11 VAL A 47 2.445 3.547 4.729 1.00 32.12 H new ATOM 0 HG12 VAL A 47 3.727 4.781 4.712 1.00 32.12 H new ATOM 0 HG13 VAL A 47 2.626 4.661 6.105 1.00 32.12 H new ATOM 0 HG21 VAL A 47 0.066 4.189 4.411 1.00 63.03 H new ATOM 0 HG22 VAL A 47 0.113 5.354 5.756 1.00 63.03 H new ATOM 0 HG23 VAL A 47 -0.390 5.887 4.134 1.00 63.03 H new ATOM 784 N MET A 48 3.776 7.744 3.096 1.00 1.03 N ATOM 785 CA MET A 48 5.136 8.051 2.588 1.00 5.14 C ATOM 786 C MET A 48 5.703 9.370 3.172 1.00 40.03 C ATOM 787 O MET A 48 6.915 9.477 3.406 1.00 42.54 O ATOM 788 CB MET A 48 5.150 8.080 1.030 1.00 11.32 C ATOM 789 CG MET A 48 4.949 6.706 0.372 1.00 12.31 C ATOM 790 SD MET A 48 5.101 6.736 -1.435 1.00 11.35 S ATOM 791 CE MET A 48 3.628 7.618 -1.951 1.00 13.41 C ATOM 0 H MET A 48 3.046 7.822 2.388 1.00 1.03 H new ATOM 0 HA MET A 48 5.791 7.249 2.928 1.00 5.14 H new ATOM 0 HB2 MET A 48 4.367 8.754 0.683 1.00 11.32 H new ATOM 0 HB3 MET A 48 6.100 8.496 0.694 1.00 11.32 H new ATOM 0 HG2 MET A 48 5.681 6.008 0.778 1.00 12.31 H new ATOM 0 HG3 MET A 48 3.963 6.326 0.639 1.00 12.31 H new ATOM 0 HE1 MET A 48 2.985 6.949 -2.523 1.00 13.41 H new ATOM 0 HE2 MET A 48 3.091 7.974 -1.072 1.00 13.41 H new ATOM 0 HE3 MET A 48 3.912 8.468 -2.572 1.00 13.41 H new ATOM 801 N GLU A 49 4.826 10.362 3.406 1.00 42.35 N ATOM 802 CA GLU A 49 5.240 11.673 3.973 1.00 31.11 C ATOM 803 C GLU A 49 5.363 11.607 5.512 1.00 5.44 C ATOM 804 O GLU A 49 6.074 12.419 6.118 1.00 15.20 O ATOM 805 CB GLU A 49 4.246 12.791 3.564 1.00 62.04 C ATOM 806 CG GLU A 49 2.844 12.638 4.168 1.00 72.21 C ATOM 807 CD GLU A 49 1.866 13.755 3.789 1.00 3.02 C ATOM 808 OE1 GLU A 49 1.889 14.817 4.446 1.00 4.34 O ATOM 809 OE2 GLU A 49 1.059 13.571 2.854 1.00 13.12 O ATOM 0 H GLU A 49 3.827 10.289 3.214 1.00 42.35 H new ATOM 0 HA GLU A 49 6.221 11.911 3.563 1.00 31.11 H new ATOM 0 HB2 GLU A 49 4.656 13.755 3.866 1.00 62.04 H new ATOM 0 HB3 GLU A 49 4.162 12.807 2.477 1.00 62.04 H new ATOM 0 HG2 GLU A 49 2.427 11.683 3.849 1.00 72.21 H new ATOM 0 HG3 GLU A 49 2.932 12.601 5.254 1.00 72.21 H new ATOM 816 N LYS A 50 4.644 10.655 6.141 1.00 35.23 N ATOM 817 CA LYS A 50 4.698 10.442 7.604 1.00 23.53 C ATOM 818 C LYS A 50 5.896 9.556 7.967 1.00 11.31 C ATOM 819 O LYS A 50 6.249 8.629 7.232 1.00 15.10 O ATOM 820 CB LYS A 50 3.362 9.835 8.150 1.00 13.45 C ATOM 821 CG LYS A 50 2.340 10.881 8.672 1.00 75.51 C ATOM 822 CD LYS A 50 1.962 11.936 7.614 1.00 22.13 C ATOM 823 CE LYS A 50 1.059 13.051 8.149 1.00 75.44 C ATOM 824 NZ LYS A 50 0.676 14.012 7.073 1.00 74.12 N ATOM 0 H LYS A 50 4.014 10.016 5.655 1.00 35.23 H new ATOM 0 HA LYS A 50 4.826 11.414 8.081 1.00 23.53 H new ATOM 0 HB2 LYS A 50 2.893 9.253 7.357 1.00 13.45 H new ATOM 0 HB3 LYS A 50 3.597 9.142 8.958 1.00 13.45 H new ATOM 0 HG2 LYS A 50 1.438 10.366 9.001 1.00 75.51 H new ATOM 0 HG3 LYS A 50 2.757 11.383 9.545 1.00 75.51 H new ATOM 0 HD2 LYS A 50 2.874 12.380 7.215 1.00 22.13 H new ATOM 0 HD3 LYS A 50 1.459 11.440 6.784 1.00 22.13 H new ATOM 0 HE2 LYS A 50 0.160 12.614 8.585 1.00 75.44 H new ATOM 0 HE3 LYS A 50 1.574 13.585 8.948 1.00 75.44 H new ATOM 0 HZ1 LYS A 50 0.464 14.939 7.495 1.00 74.12 H new ATOM 0 HZ2 LYS A 50 1.462 14.110 6.399 1.00 74.12 H new ATOM 0 HZ3 LYS A 50 -0.165 13.658 6.575 1.00 74.12 H new ATOM 838 N GLN A 51 6.506 9.873 9.116 1.00 63.51 N ATOM 839 CA GLN A 51 7.684 9.172 9.638 1.00 4.42 C ATOM 840 C GLN A 51 7.287 7.796 10.209 1.00 72.32 C ATOM 841 O GLN A 51 6.270 7.681 10.909 1.00 63.34 O ATOM 842 CB GLN A 51 8.332 10.040 10.747 1.00 12.25 C ATOM 843 CG GLN A 51 9.616 9.466 11.390 1.00 51.10 C ATOM 844 CD GLN A 51 10.055 10.239 12.642 1.00 61.42 C ATOM 845 OE1 GLN A 51 9.223 10.763 13.387 1.00 34.31 O ATOM 846 NE2 GLN A 51 11.356 10.332 12.868 1.00 65.22 N ATOM 0 H GLN A 51 6.190 10.634 9.717 1.00 63.51 H new ATOM 0 HA GLN A 51 8.396 9.011 8.829 1.00 4.42 H new ATOM 0 HB2 GLN A 51 8.566 11.018 10.326 1.00 12.25 H new ATOM 0 HB3 GLN A 51 7.595 10.199 11.534 1.00 12.25 H new ATOM 0 HG2 GLN A 51 9.448 8.422 11.654 1.00 51.10 H new ATOM 0 HG3 GLN A 51 10.422 9.484 10.657 1.00 51.10 H new ATOM 0 HE21 GLN A 51 12.017 9.887 12.232 1.00 65.22 H new ATOM 0 HE22 GLN A 51 11.697 10.849 13.678 1.00 65.22 H new ATOM 855 N THR A 52 8.106 6.777 9.910 1.00 22.33 N ATOM 856 CA THR A 52 7.934 5.420 10.444 1.00 40.52 C ATOM 857 C THR A 52 8.085 5.424 11.998 1.00 13.10 C ATOM 858 O THR A 52 9.012 6.061 12.515 1.00 51.51 O ATOM 859 CB THR A 52 8.999 4.465 9.802 1.00 62.24 C ATOM 860 OG1 THR A 52 9.011 4.634 8.370 1.00 52.13 O ATOM 861 CG2 THR A 52 8.733 2.990 10.133 1.00 52.25 C ATOM 0 H THR A 52 8.909 6.872 9.288 1.00 22.33 H new ATOM 0 HA THR A 52 6.934 5.064 10.195 1.00 40.52 H new ATOM 0 HB THR A 52 9.967 4.734 10.224 1.00 62.24 H new ATOM 0 HG1 THR A 52 9.781 4.160 7.991 1.00 52.13 H new ATOM 0 HG21 THR A 52 9.497 2.369 9.666 1.00 52.25 H new ATOM 0 HG22 THR A 52 8.761 2.849 11.213 1.00 52.25 H new ATOM 0 HG23 THR A 52 7.752 2.704 9.755 1.00 52.25 H new ATOM 869 N PRO A 53 7.153 4.764 12.768 1.00 63.11 N ATOM 870 CA PRO A 53 7.256 4.672 14.251 1.00 21.11 C ATOM 871 C PRO A 53 8.424 3.751 14.709 1.00 43.42 C ATOM 872 O PRO A 53 8.869 2.886 13.941 1.00 11.44 O ATOM 873 CB PRO A 53 5.882 4.081 14.655 1.00 31.11 C ATOM 874 CG PRO A 53 5.449 3.295 13.461 1.00 53.34 C ATOM 875 CD PRO A 53 5.927 4.089 12.269 1.00 4.33 C ATOM 0 HA PRO A 53 7.473 5.634 14.716 1.00 21.11 H new ATOM 0 HB2 PRO A 53 5.966 3.448 15.538 1.00 31.11 H new ATOM 0 HB3 PRO A 53 5.166 4.867 14.894 1.00 31.11 H new ATOM 0 HG2 PRO A 53 5.884 2.296 13.469 1.00 53.34 H new ATOM 0 HG3 PRO A 53 4.366 3.171 13.443 1.00 53.34 H new ATOM 0 HD2 PRO A 53 6.143 3.443 11.418 1.00 4.33 H new ATOM 0 HD3 PRO A 53 5.178 4.810 11.941 1.00 4.33 H new ATOM 883 N PRO A 54 8.957 3.941 15.961 1.00 2.34 N ATOM 884 CA PRO A 54 10.005 3.060 16.530 1.00 0.04 C ATOM 885 C PRO A 54 9.528 1.611 16.753 1.00 42.22 C ATOM 886 O PRO A 54 10.227 0.665 16.379 1.00 53.14 O ATOM 887 CB PRO A 54 10.385 3.756 17.866 1.00 71.22 C ATOM 888 CG PRO A 54 9.199 4.602 18.213 1.00 40.13 C ATOM 889 CD PRO A 54 8.630 5.058 16.889 1.00 52.33 C ATOM 0 HA PRO A 54 10.850 2.948 15.850 1.00 0.04 H new ATOM 0 HB2 PRO A 54 10.590 3.025 18.648 1.00 71.22 H new ATOM 0 HB3 PRO A 54 11.283 4.363 17.753 1.00 71.22 H new ATOM 0 HG2 PRO A 54 8.463 4.033 18.782 1.00 40.13 H new ATOM 0 HG3 PRO A 54 9.490 5.453 18.829 1.00 40.13 H new ATOM 0 HD2 PRO A 54 7.555 5.225 16.951 1.00 52.33 H new ATOM 0 HD3 PRO A 54 9.080 5.995 16.561 1.00 52.33 H new ATOM 897 N GLY A 55 8.341 1.468 17.373 1.00 12.35 N ATOM 898 CA GLY A 55 7.801 0.167 17.774 1.00 71.31 C ATOM 899 C GLY A 55 7.433 -0.730 16.598 1.00 13.45 C ATOM 900 O GLY A 55 6.282 -0.763 16.166 1.00 71.32 O ATOM 0 H GLY A 55 7.735 2.254 17.607 1.00 12.35 H new ATOM 0 HA2 GLY A 55 8.535 -0.346 18.395 1.00 71.31 H new ATOM 0 HA3 GLY A 55 6.916 0.325 18.391 1.00 71.31 H new ATOM 904 N ILE A 56 8.446 -1.431 16.065 1.00 31.32 N ATOM 905 CA ILE A 56 8.289 -2.426 14.997 1.00 13.04 C ATOM 906 C ILE A 56 8.897 -3.752 15.475 1.00 42.13 C ATOM 907 O ILE A 56 10.121 -3.892 15.541 1.00 72.34 O ATOM 908 CB ILE A 56 8.993 -1.971 13.656 1.00 51.41 C ATOM 909 CG1 ILE A 56 8.480 -0.573 13.201 1.00 42.24 C ATOM 910 CG2 ILE A 56 8.798 -3.020 12.529 1.00 65.13 C ATOM 911 CD1 ILE A 56 9.167 -0.024 11.963 1.00 51.31 C ATOM 0 H ILE A 56 9.413 -1.319 16.371 1.00 31.32 H new ATOM 0 HA ILE A 56 7.226 -2.540 14.783 1.00 13.04 H new ATOM 0 HB ILE A 56 10.061 -1.893 13.858 1.00 51.41 H new ATOM 0 HG12 ILE A 56 7.409 -0.638 13.009 1.00 42.24 H new ATOM 0 HG13 ILE A 56 8.615 0.134 14.020 1.00 42.24 H new ATOM 0 HG21 ILE A 56 9.294 -2.676 11.622 1.00 65.13 H new ATOM 0 HG22 ILE A 56 9.229 -3.972 12.839 1.00 65.13 H new ATOM 0 HG23 ILE A 56 7.734 -3.150 12.333 1.00 65.13 H new ATOM 0 HD11 ILE A 56 8.748 0.952 11.717 1.00 51.31 H new ATOM 0 HD12 ILE A 56 10.235 0.077 12.154 1.00 51.31 H new ATOM 0 HD13 ILE A 56 9.011 -0.706 11.128 1.00 51.31 H new ATOM 923 N THR A 57 8.035 -4.694 15.869 1.00 14.02 N ATOM 924 CA THR A 57 8.436 -6.081 16.162 1.00 43.43 C ATOM 925 C THR A 57 8.489 -6.883 14.847 1.00 53.23 C ATOM 926 O THR A 57 8.222 -6.326 13.775 1.00 25.24 O ATOM 927 CB THR A 57 7.428 -6.732 17.160 1.00 41.44 C ATOM 928 OG1 THR A 57 6.114 -6.747 16.583 1.00 62.34 O ATOM 929 CG2 THR A 57 7.386 -5.974 18.504 1.00 50.44 C ATOM 0 H THR A 57 7.038 -4.520 15.995 1.00 14.02 H new ATOM 0 HA THR A 57 9.424 -6.085 16.623 1.00 43.43 H new ATOM 0 HB THR A 57 7.765 -7.750 17.354 1.00 41.44 H new ATOM 0 HG1 THR A 57 5.485 -7.158 17.212 1.00 62.34 H new ATOM 0 HG21 THR A 57 6.673 -6.457 19.172 1.00 50.44 H new ATOM 0 HG22 THR A 57 8.376 -5.986 18.960 1.00 50.44 H new ATOM 0 HG23 THR A 57 7.079 -4.943 18.331 1.00 50.44 H new ATOM 937 N ARG A 58 8.818 -8.187 14.921 1.00 4.41 N ATOM 938 CA ARG A 58 8.838 -9.051 13.730 1.00 63.05 C ATOM 939 C ARG A 58 7.403 -9.275 13.217 1.00 71.42 C ATOM 940 O ARG A 58 7.181 -9.315 12.015 1.00 13.34 O ATOM 941 CB ARG A 58 9.551 -10.402 14.018 1.00 72.22 C ATOM 942 CG ARG A 58 9.718 -11.322 12.781 1.00 71.12 C ATOM 943 CD ARG A 58 10.495 -10.647 11.633 1.00 74.31 C ATOM 944 NE ARG A 58 10.465 -11.431 10.387 1.00 33.15 N ATOM 945 CZ ARG A 58 11.045 -11.052 9.232 1.00 64.12 C ATOM 946 NH1 ARG A 58 11.708 -9.899 9.148 1.00 3.20 N ATOM 947 NH2 ARG A 58 10.974 -11.847 8.166 1.00 31.22 N ATOM 0 H ARG A 58 9.072 -8.661 15.788 1.00 4.41 H new ATOM 0 HA ARG A 58 9.411 -8.548 12.951 1.00 63.05 H new ATOM 0 HB2 ARG A 58 10.536 -10.196 14.436 1.00 72.22 H new ATOM 0 HB3 ARG A 58 8.987 -10.940 14.780 1.00 72.22 H new ATOM 0 HG2 ARG A 58 10.238 -12.232 13.079 1.00 71.12 H new ATOM 0 HG3 ARG A 58 8.734 -11.620 12.421 1.00 71.12 H new ATOM 0 HD2 ARG A 58 10.073 -9.659 11.446 1.00 74.31 H new ATOM 0 HD3 ARG A 58 11.531 -10.499 11.939 1.00 74.31 H new ATOM 0 HE ARG A 58 9.971 -12.323 10.399 1.00 33.15 H new ATOM 0 HH11 ARG A 58 11.781 -9.292 9.964 1.00 3.20 H new ATOM 0 HH12 ARG A 58 12.143 -9.624 8.267 1.00 3.20 H new ATOM 0 HH21 ARG A 58 10.482 -12.738 8.226 1.00 31.22 H new ATOM 0 HH22 ARG A 58 11.412 -11.564 7.289 1.00 31.22 H new ATOM 961 N SER A 59 6.437 -9.367 14.152 1.00 64.23 N ATOM 962 CA SER A 59 5.006 -9.506 13.824 1.00 63.32 C ATOM 963 C SER A 59 4.512 -8.291 13.006 1.00 61.35 C ATOM 964 O SER A 59 3.877 -8.447 11.956 1.00 4.33 O ATOM 965 CB SER A 59 4.198 -9.663 15.124 1.00 71.34 C ATOM 966 OG SER A 59 4.671 -10.766 15.886 1.00 44.23 O ATOM 0 H SER A 59 6.627 -9.347 15.154 1.00 64.23 H new ATOM 0 HA SER A 59 4.862 -10.395 13.209 1.00 63.32 H new ATOM 0 HB2 SER A 59 4.271 -8.750 15.715 1.00 71.34 H new ATOM 0 HB3 SER A 59 3.144 -9.805 14.887 1.00 71.34 H new ATOM 0 HG SER A 59 4.144 -10.845 16.708 1.00 44.23 H new ATOM 972 N ILE A 60 4.861 -7.090 13.501 1.00 13.51 N ATOM 973 CA ILE A 60 4.558 -5.810 12.833 1.00 13.02 C ATOM 974 C ILE A 60 5.248 -5.746 11.455 1.00 52.32 C ATOM 975 O ILE A 60 4.632 -5.356 10.469 1.00 54.10 O ATOM 976 CB ILE A 60 4.986 -4.595 13.748 1.00 74.31 C ATOM 977 CG1 ILE A 60 4.137 -4.597 15.059 1.00 0.32 C ATOM 978 CG2 ILE A 60 4.881 -3.235 13.014 1.00 23.52 C ATOM 979 CD1 ILE A 60 4.518 -3.546 16.089 1.00 61.43 C ATOM 0 H ILE A 60 5.364 -6.979 14.381 1.00 13.51 H new ATOM 0 HA ILE A 60 3.482 -5.743 12.672 1.00 13.02 H new ATOM 0 HB ILE A 60 6.038 -4.723 14.003 1.00 74.31 H new ATOM 0 HG12 ILE A 60 3.089 -4.456 14.793 1.00 0.32 H new ATOM 0 HG13 ILE A 60 4.219 -5.580 15.522 1.00 0.32 H new ATOM 0 HG21 ILE A 60 5.186 -2.434 13.687 1.00 23.52 H new ATOM 0 HG22 ILE A 60 5.532 -3.242 12.140 1.00 23.52 H new ATOM 0 HG23 ILE A 60 3.851 -3.071 12.698 1.00 23.52 H new ATOM 0 HD11 ILE A 60 3.867 -3.636 16.958 1.00 61.43 H new ATOM 0 HD12 ILE A 60 5.554 -3.695 16.394 1.00 61.43 H new ATOM 0 HD13 ILE A 60 4.407 -2.553 15.654 1.00 61.43 H new ATOM 991 N GLN A 61 6.512 -6.190 11.407 1.00 25.11 N ATOM 992 CA GLN A 61 7.343 -6.169 10.187 1.00 41.25 C ATOM 993 C GLN A 61 6.777 -7.107 9.097 1.00 34.21 C ATOM 994 O GLN A 61 6.822 -6.778 7.912 1.00 3.42 O ATOM 995 CB GLN A 61 8.802 -6.544 10.561 1.00 52.15 C ATOM 996 CG GLN A 61 9.812 -6.522 9.399 1.00 21.52 C ATOM 997 CD GLN A 61 11.257 -6.789 9.845 1.00 12.44 C ATOM 998 OE1 GLN A 61 11.507 -7.481 10.835 1.00 0.42 O ATOM 999 NE2 GLN A 61 12.217 -6.289 9.088 1.00 44.44 N ATOM 0 H GLN A 61 6.993 -6.578 12.218 1.00 25.11 H new ATOM 0 HA GLN A 61 7.330 -5.164 9.765 1.00 41.25 H new ATOM 0 HB2 GLN A 61 9.148 -5.857 11.333 1.00 52.15 H new ATOM 0 HB3 GLN A 61 8.801 -7.542 10.999 1.00 52.15 H new ATOM 0 HG2 GLN A 61 9.523 -7.270 8.661 1.00 21.52 H new ATOM 0 HG3 GLN A 61 9.765 -5.552 8.904 1.00 21.52 H new ATOM 0 HE21 GLN A 61 11.981 -5.720 8.275 1.00 44.44 H new ATOM 0 HE22 GLN A 61 13.194 -6.472 9.316 1.00 44.44 H new ATOM 1008 N ASP A 62 6.221 -8.255 9.515 1.00 5.33 N ATOM 1009 CA ASP A 62 5.637 -9.249 8.586 1.00 23.14 C ATOM 1010 C ASP A 62 4.267 -8.795 8.051 1.00 62.13 C ATOM 1011 O ASP A 62 3.950 -9.044 6.879 1.00 11.01 O ATOM 1012 CB ASP A 62 5.517 -10.640 9.272 1.00 1.03 C ATOM 1013 CG ASP A 62 6.866 -11.390 9.409 1.00 4.35 C ATOM 1014 OD1 ASP A 62 7.230 -11.825 10.522 1.00 62.24 O ATOM 1015 OD2 ASP A 62 7.550 -11.579 8.381 1.00 1.35 O ATOM 0 H ASP A 62 6.161 -8.524 10.497 1.00 5.33 H new ATOM 0 HA ASP A 62 6.313 -9.334 7.735 1.00 23.14 H new ATOM 0 HB2 ASP A 62 5.083 -10.509 10.263 1.00 1.03 H new ATOM 0 HB3 ASP A 62 4.825 -11.258 8.700 1.00 1.03 H new ATOM 1020 N MET A 63 3.452 -8.156 8.913 1.00 54.41 N ATOM 1021 CA MET A 63 2.139 -7.605 8.504 1.00 21.14 C ATOM 1022 C MET A 63 2.329 -6.438 7.519 1.00 5.13 C ATOM 1023 O MET A 63 1.748 -6.444 6.430 1.00 14.41 O ATOM 1024 CB MET A 63 1.310 -7.160 9.739 1.00 51.40 C ATOM 1025 CG MET A 63 0.877 -8.306 10.665 1.00 45.20 C ATOM 1026 SD MET A 63 -0.194 -7.756 12.021 1.00 2.42 S ATOM 1027 CE MET A 63 0.850 -6.602 12.925 1.00 75.45 C ATOM 0 H MET A 63 3.677 -8.007 9.897 1.00 54.41 H new ATOM 0 HA MET A 63 1.582 -8.394 7.998 1.00 21.14 H new ATOM 0 HB2 MET A 63 1.897 -6.446 10.316 1.00 51.40 H new ATOM 0 HB3 MET A 63 0.420 -6.634 9.393 1.00 51.40 H new ATOM 0 HG2 MET A 63 0.353 -9.061 10.079 1.00 45.20 H new ATOM 0 HG3 MET A 63 1.764 -8.784 11.081 1.00 45.20 H new ATOM 0 HE1 MET A 63 0.318 -6.243 13.806 1.00 75.45 H new ATOM 0 HE2 MET A 63 1.766 -7.106 13.234 1.00 75.45 H new ATOM 0 HE3 MET A 63 1.100 -5.757 12.283 1.00 75.45 H new ATOM 1037 N VAL A 64 3.179 -5.466 7.910 1.00 50.42 N ATOM 1038 CA VAL A 64 3.497 -4.284 7.089 1.00 72.23 C ATOM 1039 C VAL A 64 4.114 -4.706 5.737 1.00 71.33 C ATOM 1040 O VAL A 64 3.523 -4.423 4.700 1.00 63.13 O ATOM 1041 CB VAL A 64 4.435 -3.277 7.873 1.00 73.35 C ATOM 1042 CG1 VAL A 64 4.991 -2.161 6.961 1.00 44.12 C ATOM 1043 CG2 VAL A 64 3.688 -2.665 9.090 1.00 5.53 C ATOM 0 H VAL A 64 3.664 -5.481 8.807 1.00 50.42 H new ATOM 0 HA VAL A 64 2.567 -3.757 6.877 1.00 72.23 H new ATOM 0 HB VAL A 64 5.288 -3.852 8.234 1.00 73.35 H new ATOM 0 HG11 VAL A 64 5.628 -1.497 7.545 1.00 44.12 H new ATOM 0 HG12 VAL A 64 5.574 -2.607 6.155 1.00 44.12 H new ATOM 0 HG13 VAL A 64 4.164 -1.591 6.538 1.00 44.12 H new ATOM 0 HG21 VAL A 64 4.350 -1.976 9.615 1.00 5.53 H new ATOM 0 HG22 VAL A 64 2.806 -2.127 8.743 1.00 5.53 H new ATOM 0 HG23 VAL A 64 3.383 -3.462 9.768 1.00 5.53 H new ATOM 1053 N ALA A 65 5.256 -5.436 5.761 1.00 50.22 N ATOM 1054 CA ALA A 65 5.957 -5.868 4.521 1.00 2.51 C ATOM 1055 C ALA A 65 5.083 -6.797 3.663 1.00 51.14 C ATOM 1056 O ALA A 65 5.129 -6.726 2.438 1.00 22.43 O ATOM 1057 CB ALA A 65 7.299 -6.550 4.837 1.00 32.54 C ATOM 0 H ALA A 65 5.712 -5.739 6.622 1.00 50.22 H new ATOM 0 HA ALA A 65 6.157 -4.963 3.947 1.00 2.51 H new ATOM 0 HB1 ALA A 65 7.782 -6.852 3.907 1.00 32.54 H new ATOM 0 HB2 ALA A 65 7.944 -5.853 5.371 1.00 32.54 H new ATOM 0 HB3 ALA A 65 7.123 -7.429 5.456 1.00 32.54 H new ATOM 1063 N GLY A 66 4.282 -7.655 4.324 1.00 61.13 N ATOM 1064 CA GLY A 66 3.327 -8.517 3.624 1.00 72.42 C ATOM 1065 C GLY A 66 2.321 -7.706 2.814 1.00 53.04 C ATOM 1066 O GLY A 66 2.023 -8.031 1.660 1.00 33.24 O ATOM 0 H GLY A 66 4.282 -7.765 5.338 1.00 61.13 H new ATOM 0 HA2 GLY A 66 3.866 -9.194 2.961 1.00 72.42 H new ATOM 0 HA3 GLY A 66 2.797 -9.135 4.348 1.00 72.42 H new ATOM 1070 N TYR A 67 1.847 -6.609 3.418 1.00 23.13 N ATOM 1071 CA TYR A 67 0.871 -5.700 2.806 1.00 4.31 C ATOM 1072 C TYR A 67 1.497 -4.737 1.789 1.00 71.34 C ATOM 1073 O TYR A 67 0.812 -4.349 0.840 1.00 20.10 O ATOM 1074 CB TYR A 67 0.091 -4.933 3.904 1.00 52.14 C ATOM 1075 CG TYR A 67 -0.958 -5.782 4.645 1.00 13.32 C ATOM 1076 CD1 TYR A 67 -1.586 -6.872 4.021 1.00 53.12 C ATOM 1077 CD2 TYR A 67 -1.351 -5.474 5.938 1.00 1.13 C ATOM 1078 CE1 TYR A 67 -2.560 -7.603 4.660 1.00 0.42 C ATOM 1079 CE2 TYR A 67 -2.323 -6.213 6.581 1.00 5.43 C ATOM 1080 CZ TYR A 67 -2.924 -7.273 5.940 1.00 53.21 C ATOM 1081 OH TYR A 67 -3.896 -8.010 6.584 1.00 74.42 O ATOM 0 H TYR A 67 2.134 -6.325 4.355 1.00 23.13 H new ATOM 0 HA TYR A 67 0.173 -6.316 2.239 1.00 4.31 H new ATOM 0 HB2 TYR A 67 0.802 -4.539 4.630 1.00 52.14 H new ATOM 0 HB3 TYR A 67 -0.407 -4.077 3.449 1.00 52.14 H new ATOM 0 HD1 TYR A 67 -1.297 -7.143 3.016 1.00 53.12 H new ATOM 0 HD2 TYR A 67 -0.889 -4.643 6.450 1.00 1.13 H new ATOM 0 HE1 TYR A 67 -3.035 -8.432 4.157 1.00 0.42 H new ATOM 0 HE2 TYR A 67 -2.613 -5.959 7.590 1.00 5.43 H new ATOM 0 HH TYR A 67 -4.038 -7.649 7.484 1.00 74.42 H new ATOM 1091 N ILE A 68 2.786 -4.363 1.978 1.00 42.34 N ATOM 1092 CA ILE A 68 3.509 -3.531 0.989 1.00 43.05 C ATOM 1093 C ILE A 68 3.648 -4.336 -0.314 1.00 74.11 C ATOM 1094 O ILE A 68 3.261 -3.867 -1.380 1.00 54.40 O ATOM 1095 CB ILE A 68 4.943 -3.060 1.456 1.00 63.32 C ATOM 1096 CG1 ILE A 68 4.899 -2.303 2.818 1.00 44.54 C ATOM 1097 CG2 ILE A 68 5.611 -2.166 0.371 1.00 51.44 C ATOM 1098 CD1 ILE A 68 6.261 -1.872 3.354 1.00 73.40 C ATOM 0 H ILE A 68 3.339 -4.621 2.795 1.00 42.34 H new ATOM 0 HA ILE A 68 2.921 -2.623 0.855 1.00 43.05 H new ATOM 0 HB ILE A 68 5.542 -3.960 1.597 1.00 63.32 H new ATOM 0 HG12 ILE A 68 4.272 -1.419 2.706 1.00 44.54 H new ATOM 0 HG13 ILE A 68 4.419 -2.943 3.558 1.00 44.54 H new ATOM 0 HG21 ILE A 68 6.597 -1.853 0.714 1.00 51.44 H new ATOM 0 HG22 ILE A 68 5.711 -2.732 -0.555 1.00 51.44 H new ATOM 0 HG23 ILE A 68 4.993 -1.286 0.193 1.00 51.44 H new ATOM 0 HD11 ILE A 68 6.131 -1.354 4.304 1.00 73.40 H new ATOM 0 HD12 ILE A 68 6.888 -2.751 3.503 1.00 73.40 H new ATOM 0 HD13 ILE A 68 6.739 -1.203 2.638 1.00 73.40 H new ATOM 1110 N LYS A 69 4.166 -5.577 -0.180 1.00 71.30 N ATOM 1111 CA LYS A 69 4.280 -6.536 -1.294 1.00 45.35 C ATOM 1112 C LYS A 69 2.911 -6.758 -1.958 1.00 73.21 C ATOM 1113 O LYS A 69 2.809 -6.730 -3.187 1.00 42.31 O ATOM 1114 CB LYS A 69 4.857 -7.897 -0.803 1.00 31.12 C ATOM 1115 CG LYS A 69 4.901 -9.012 -1.883 1.00 31.45 C ATOM 1116 CD LYS A 69 5.791 -8.648 -3.099 1.00 14.03 C ATOM 1117 CE LYS A 69 5.604 -9.617 -4.285 1.00 72.20 C ATOM 1118 NZ LYS A 69 5.838 -11.038 -3.904 1.00 51.20 N ATOM 0 H LYS A 69 4.517 -5.940 0.707 1.00 71.30 H new ATOM 0 HA LYS A 69 4.966 -6.114 -2.028 1.00 45.35 H new ATOM 0 HB2 LYS A 69 5.867 -7.733 -0.428 1.00 31.12 H new ATOM 0 HB3 LYS A 69 4.258 -8.248 0.037 1.00 31.12 H new ATOM 0 HG2 LYS A 69 5.272 -9.932 -1.431 1.00 31.45 H new ATOM 0 HG3 LYS A 69 3.887 -9.213 -2.230 1.00 31.45 H new ATOM 0 HD2 LYS A 69 5.558 -7.634 -3.424 1.00 14.03 H new ATOM 0 HD3 LYS A 69 6.837 -8.653 -2.793 1.00 14.03 H new ATOM 0 HE2 LYS A 69 4.593 -9.512 -4.680 1.00 72.20 H new ATOM 0 HE3 LYS A 69 6.290 -9.342 -5.086 1.00 72.20 H new ATOM 0 HZ1 LYS A 69 5.783 -11.638 -4.752 1.00 51.20 H new ATOM 0 HZ2 LYS A 69 6.780 -11.131 -3.474 1.00 51.20 H new ATOM 0 HZ3 LYS A 69 5.114 -11.338 -3.220 1.00 51.20 H new ATOM 1132 N GLN A 70 1.866 -6.945 -1.120 1.00 72.01 N ATOM 1133 CA GLN A 70 0.512 -7.248 -1.604 1.00 42.04 C ATOM 1134 C GLN A 70 -0.024 -6.105 -2.481 1.00 52.30 C ATOM 1135 O GLN A 70 -0.524 -6.355 -3.572 1.00 75.35 O ATOM 1136 CB GLN A 70 -0.473 -7.522 -0.435 1.00 25.13 C ATOM 1137 CG GLN A 70 -1.822 -8.127 -0.894 1.00 13.31 C ATOM 1138 CD GLN A 70 -2.827 -8.373 0.234 1.00 33.34 C ATOM 1139 OE1 GLN A 70 -2.883 -7.640 1.212 1.00 4.24 O ATOM 1140 NE2 GLN A 70 -3.632 -9.420 0.102 1.00 64.13 N ATOM 0 H GLN A 70 1.941 -6.890 -0.104 1.00 72.01 H new ATOM 0 HA GLN A 70 0.584 -8.155 -2.204 1.00 42.04 H new ATOM 0 HB2 GLN A 70 -0.002 -8.202 0.275 1.00 25.13 H new ATOM 0 HB3 GLN A 70 -0.664 -6.589 0.095 1.00 25.13 H new ATOM 0 HG2 GLN A 70 -2.274 -7.459 -1.626 1.00 13.31 H new ATOM 0 HG3 GLN A 70 -1.627 -9.072 -1.402 1.00 13.31 H new ATOM 0 HE21 GLN A 70 -3.564 -10.015 -0.724 1.00 64.13 H new ATOM 0 HE22 GLN A 70 -4.319 -9.630 0.826 1.00 64.13 H new ATOM 1149 N THR A 71 0.151 -4.844 -2.022 1.00 73.43 N ATOM 1150 CA THR A 71 -0.433 -3.680 -2.704 1.00 73.12 C ATOM 1151 C THR A 71 0.390 -3.297 -3.939 1.00 70.41 C ATOM 1152 O THR A 71 -0.160 -2.755 -4.904 1.00 75.54 O ATOM 1153 CB THR A 71 -0.619 -2.455 -1.741 1.00 0.41 C ATOM 1154 OG1 THR A 71 -1.289 -1.379 -2.417 1.00 22.31 O ATOM 1155 CG2 THR A 71 0.681 -1.923 -1.131 1.00 25.14 C ATOM 0 H THR A 71 0.690 -4.614 -1.187 1.00 73.43 H new ATOM 0 HA THR A 71 -1.429 -3.972 -3.036 1.00 73.12 H new ATOM 0 HB THR A 71 -1.222 -2.835 -0.916 1.00 0.41 H new ATOM 0 HG1 THR A 71 -2.170 -1.237 -2.012 1.00 22.31 H new ATOM 0 HG21 THR A 71 0.458 -1.078 -0.480 1.00 25.14 H new ATOM 0 HG22 THR A 71 1.160 -2.712 -0.551 1.00 25.14 H new ATOM 0 HG23 THR A 71 1.351 -1.600 -1.928 1.00 25.14 H new ATOM 1163 N LEU A 72 1.700 -3.599 -3.907 1.00 13.41 N ATOM 1164 CA LEU A 72 2.590 -3.389 -5.063 1.00 74.41 C ATOM 1165 C LEU A 72 2.325 -4.432 -6.142 1.00 53.11 C ATOM 1166 O LEU A 72 2.520 -4.147 -7.310 1.00 11.44 O ATOM 1167 CB LEU A 72 4.093 -3.408 -4.651 1.00 70.44 C ATOM 1168 CG LEU A 72 4.560 -2.256 -3.706 1.00 40.44 C ATOM 1169 CD1 LEU A 72 6.100 -2.237 -3.539 1.00 23.52 C ATOM 1170 CD2 LEU A 72 4.006 -0.906 -4.189 1.00 33.02 C ATOM 0 H LEU A 72 2.167 -3.991 -3.090 1.00 13.41 H new ATOM 0 HA LEU A 72 2.370 -2.400 -5.465 1.00 74.41 H new ATOM 0 HB2 LEU A 72 4.303 -4.359 -4.162 1.00 70.44 H new ATOM 0 HB3 LEU A 72 4.698 -3.375 -5.557 1.00 70.44 H new ATOM 0 HG LEU A 72 4.151 -2.443 -2.713 1.00 40.44 H new ATOM 0 HD11 LEU A 72 6.384 -1.421 -2.874 1.00 23.52 H new ATOM 0 HD12 LEU A 72 6.432 -3.184 -3.113 1.00 23.52 H new ATOM 0 HD13 LEU A 72 6.570 -2.093 -4.512 1.00 23.52 H new ATOM 0 HD21 LEU A 72 4.341 -0.114 -3.519 1.00 33.02 H new ATOM 0 HD22 LEU A 72 4.367 -0.705 -5.198 1.00 33.02 H new ATOM 0 HD23 LEU A 72 2.917 -0.940 -4.193 1.00 33.02 H new ATOM 1182 N ASP A 73 1.881 -5.630 -5.727 1.00 74.22 N ATOM 1183 CA ASP A 73 1.555 -6.741 -6.649 1.00 60.24 C ATOM 1184 C ASP A 73 0.193 -6.506 -7.322 1.00 75.32 C ATOM 1185 O ASP A 73 0.044 -6.708 -8.541 1.00 42.30 O ATOM 1186 CB ASP A 73 1.552 -8.090 -5.884 1.00 13.33 C ATOM 1187 CG ASP A 73 1.180 -9.294 -6.774 1.00 30.12 C ATOM 1188 OD1 ASP A 73 0.095 -9.891 -6.582 1.00 22.43 O ATOM 1189 OD2 ASP A 73 1.975 -9.639 -7.675 1.00 31.22 O ATOM 0 H ASP A 73 1.737 -5.860 -4.744 1.00 74.22 H new ATOM 0 HA ASP A 73 2.319 -6.779 -7.425 1.00 60.24 H new ATOM 0 HB2 ASP A 73 2.539 -8.257 -5.452 1.00 13.33 H new ATOM 0 HB3 ASP A 73 0.847 -8.028 -5.055 1.00 13.33 H new ATOM 1194 N ASN A 74 -0.787 -6.067 -6.513 1.00 0.33 N ATOM 1195 CA ASN A 74 -2.134 -5.716 -6.991 1.00 42.04 C ATOM 1196 C ASN A 74 -2.037 -4.588 -8.027 1.00 11.24 C ATOM 1197 O ASN A 74 -2.575 -4.688 -9.132 1.00 44.41 O ATOM 1198 CB ASN A 74 -3.046 -5.270 -5.810 1.00 65.50 C ATOM 1199 CG ASN A 74 -3.278 -6.350 -4.744 1.00 52.35 C ATOM 1200 OD1 ASN A 74 -3.264 -7.548 -5.026 1.00 1.35 O ATOM 1201 ND2 ASN A 74 -3.505 -5.925 -3.500 1.00 54.31 N ATOM 0 H ASN A 74 -0.666 -5.946 -5.507 1.00 0.33 H new ATOM 0 HA ASN A 74 -2.577 -6.599 -7.451 1.00 42.04 H new ATOM 0 HB2 ASN A 74 -2.601 -4.396 -5.334 1.00 65.50 H new ATOM 0 HB3 ASN A 74 -4.011 -4.958 -6.210 1.00 65.50 H new ATOM 0 HD21 ASN A 74 -3.673 -6.599 -2.753 1.00 54.31 H new ATOM 0 HD22 ASN A 74 -3.511 -4.926 -3.296 1.00 54.31 H new ATOM 1208 N GLU A 75 -1.294 -3.536 -7.654 1.00 64.42 N ATOM 1209 CA GLU A 75 -1.076 -2.365 -8.510 1.00 21.44 C ATOM 1210 C GLU A 75 -0.076 -2.676 -9.655 1.00 63.13 C ATOM 1211 O GLU A 75 -0.087 -2.000 -10.675 1.00 1.43 O ATOM 1212 CB GLU A 75 -0.585 -1.174 -7.654 1.00 23.42 C ATOM 1213 CG GLU A 75 -0.546 0.158 -8.413 1.00 25.41 C ATOM 1214 CD GLU A 75 0.246 1.261 -7.712 1.00 63.52 C ATOM 1215 OE1 GLU A 75 1.459 1.058 -7.505 1.00 34.00 O ATOM 1216 OE2 GLU A 75 -0.320 2.355 -7.451 1.00 41.14 O ATOM 0 H GLU A 75 -0.828 -3.475 -6.749 1.00 64.42 H new ATOM 0 HA GLU A 75 -2.025 -2.098 -8.976 1.00 21.44 H new ATOM 0 HB2 GLU A 75 -1.237 -1.069 -6.787 1.00 23.42 H new ATOM 0 HB3 GLU A 75 0.413 -1.396 -7.277 1.00 23.42 H new ATOM 0 HG2 GLU A 75 -0.114 -0.012 -9.399 1.00 25.41 H new ATOM 0 HG3 GLU A 75 -1.568 0.504 -8.568 1.00 25.41 H new ATOM 1223 N GLN A 76 0.784 -3.698 -9.467 1.00 22.13 N ATOM 1224 CA GLN A 76 1.678 -4.210 -10.540 1.00 14.23 C ATOM 1225 C GLN A 76 0.825 -4.676 -11.722 1.00 2.12 C ATOM 1226 O GLN A 76 1.073 -4.301 -12.863 1.00 20.34 O ATOM 1227 CB GLN A 76 2.548 -5.382 -10.011 1.00 72.42 C ATOM 1228 CG GLN A 76 3.516 -6.030 -11.012 1.00 10.22 C ATOM 1229 CD GLN A 76 4.295 -7.226 -10.425 1.00 21.23 C ATOM 1230 OE1 GLN A 76 5.442 -7.478 -10.802 1.00 3.34 O ATOM 1231 NE2 GLN A 76 3.665 -7.996 -9.537 1.00 30.53 N ATOM 0 H GLN A 76 0.882 -4.191 -8.579 1.00 22.13 H new ATOM 0 HA GLN A 76 2.346 -3.411 -10.863 1.00 14.23 H new ATOM 0 HB2 GLN A 76 3.128 -5.019 -9.163 1.00 72.42 H new ATOM 0 HB3 GLN A 76 1.881 -6.157 -9.632 1.00 72.42 H new ATOM 0 HG2 GLN A 76 2.955 -6.365 -11.884 1.00 10.22 H new ATOM 0 HG3 GLN A 76 4.226 -5.279 -11.358 1.00 10.22 H new ATOM 0 HE21 GLN A 76 2.716 -7.764 -9.243 1.00 30.53 H new ATOM 0 HE22 GLN A 76 4.132 -8.817 -9.152 1.00 30.53 H new ATOM 1240 N LEU A 77 -0.208 -5.473 -11.402 1.00 33.35 N ATOM 1241 CA LEU A 77 -1.172 -5.977 -12.394 1.00 13.31 C ATOM 1242 C LEU A 77 -2.034 -4.828 -12.970 1.00 1.33 C ATOM 1243 O LEU A 77 -2.246 -4.760 -14.182 1.00 54.13 O ATOM 1244 CB LEU A 77 -2.067 -7.063 -11.746 1.00 34.22 C ATOM 1245 CG LEU A 77 -1.321 -8.284 -11.126 1.00 50.23 C ATOM 1246 CD1 LEU A 77 -2.309 -9.256 -10.456 1.00 72.22 C ATOM 1247 CD2 LEU A 77 -0.442 -8.998 -12.169 1.00 4.51 C ATOM 0 H LEU A 77 -0.398 -5.786 -10.450 1.00 33.35 H new ATOM 0 HA LEU A 77 -0.619 -6.419 -13.223 1.00 13.31 H new ATOM 0 HB2 LEU A 77 -2.666 -6.594 -10.965 1.00 34.22 H new ATOM 0 HB3 LEU A 77 -2.761 -7.432 -12.501 1.00 34.22 H new ATOM 0 HG LEU A 77 -0.655 -7.906 -10.350 1.00 50.23 H new ATOM 0 HD11 LEU A 77 -1.761 -10.098 -10.033 1.00 72.22 H new ATOM 0 HD12 LEU A 77 -2.848 -8.738 -9.663 1.00 72.22 H new ATOM 0 HD13 LEU A 77 -3.019 -9.622 -11.198 1.00 72.22 H new ATOM 0 HD21 LEU A 77 0.063 -9.844 -11.702 1.00 4.51 H new ATOM 0 HD22 LEU A 77 -1.067 -9.355 -12.988 1.00 4.51 H new ATOM 0 HD23 LEU A 77 0.301 -8.301 -12.557 1.00 4.51 H new ATOM 1259 N LEU A 78 -2.506 -3.927 -12.078 1.00 21.01 N ATOM 1260 CA LEU A 78 -3.376 -2.783 -12.455 1.00 10.13 C ATOM 1261 C LEU A 78 -2.685 -1.815 -13.415 1.00 43.54 C ATOM 1262 O LEU A 78 -3.182 -1.585 -14.502 1.00 63.54 O ATOM 1263 CB LEU A 78 -3.875 -2.031 -11.185 1.00 64.34 C ATOM 1264 CG LEU A 78 -4.926 -2.795 -10.340 1.00 34.33 C ATOM 1265 CD1 LEU A 78 -5.355 -1.992 -9.101 1.00 43.23 C ATOM 1266 CD2 LEU A 78 -6.131 -3.167 -11.213 1.00 74.32 C ATOM 0 H LEU A 78 -2.297 -3.970 -11.081 1.00 21.01 H new ATOM 0 HA LEU A 78 -4.235 -3.197 -12.983 1.00 10.13 H new ATOM 0 HB2 LEU A 78 -3.016 -1.808 -10.553 1.00 64.34 H new ATOM 0 HB3 LEU A 78 -4.302 -1.076 -11.491 1.00 64.34 H new ATOM 0 HG LEU A 78 -4.467 -3.713 -9.973 1.00 34.33 H new ATOM 0 HD11 LEU A 78 -6.092 -2.562 -8.535 1.00 43.23 H new ATOM 0 HD12 LEU A 78 -4.485 -1.800 -8.473 1.00 43.23 H new ATOM 0 HD13 LEU A 78 -5.792 -1.044 -9.415 1.00 43.23 H new ATOM 0 HD21 LEU A 78 -6.864 -3.704 -10.611 1.00 74.32 H new ATOM 0 HD22 LEU A 78 -6.584 -2.260 -11.614 1.00 74.32 H new ATOM 0 HD23 LEU A 78 -5.802 -3.802 -12.036 1.00 74.32 H new ATOM 1278 N LYS A 79 -1.548 -1.251 -12.997 1.00 23.13 N ATOM 1279 CA LYS A 79 -0.738 -0.354 -13.837 1.00 4.25 C ATOM 1280 C LYS A 79 -0.172 -1.118 -15.065 1.00 54.31 C ATOM 1281 O LYS A 79 -0.066 -0.558 -16.150 1.00 72.24 O ATOM 1282 CB LYS A 79 0.407 0.286 -12.996 1.00 23.24 C ATOM 1283 CG LYS A 79 -0.045 1.225 -11.839 1.00 34.12 C ATOM 1284 CD LYS A 79 -0.859 2.454 -12.311 1.00 44.51 C ATOM 1285 CE LYS A 79 -0.984 3.555 -11.233 1.00 2.04 C ATOM 1286 NZ LYS A 79 -1.655 3.095 -9.982 1.00 42.13 N ATOM 0 H LYS A 79 -1.160 -1.402 -12.066 1.00 23.13 H new ATOM 0 HA LYS A 79 -1.376 0.448 -14.208 1.00 4.25 H new ATOM 0 HB2 LYS A 79 1.013 -0.515 -12.573 1.00 23.24 H new ATOM 0 HB3 LYS A 79 1.052 0.853 -13.667 1.00 23.24 H new ATOM 0 HG2 LYS A 79 -0.647 0.652 -11.133 1.00 34.12 H new ATOM 0 HG3 LYS A 79 0.837 1.571 -11.299 1.00 34.12 H new ATOM 0 HD2 LYS A 79 -0.386 2.876 -13.198 1.00 44.51 H new ATOM 0 HD3 LYS A 79 -1.857 2.129 -12.606 1.00 44.51 H new ATOM 0 HE2 LYS A 79 0.011 3.924 -10.986 1.00 2.04 H new ATOM 0 HE3 LYS A 79 -1.542 4.395 -11.647 1.00 2.04 H new ATOM 0 HZ1 LYS A 79 -2.397 3.773 -9.716 1.00 42.13 H new ATOM 0 HZ2 LYS A 79 -2.081 2.160 -10.141 1.00 42.13 H new ATOM 0 HZ3 LYS A 79 -0.955 3.031 -9.216 1.00 42.13 H new ATOM 1300 N GLY A 80 0.156 -2.410 -14.875 1.00 31.55 N ATOM 1301 CA GLY A 80 0.609 -3.278 -15.973 1.00 72.20 C ATOM 1302 C GLY A 80 -0.450 -3.467 -17.058 1.00 31.11 C ATOM 1303 O GLY A 80 -0.126 -3.724 -18.222 1.00 21.42 O ATOM 0 H GLY A 80 0.115 -2.875 -13.968 1.00 31.55 H new ATOM 0 HA2 GLY A 80 1.507 -2.851 -16.420 1.00 72.20 H new ATOM 0 HA3 GLY A 80 0.886 -4.252 -15.569 1.00 72.20 H new ATOM 1307 N LEU A 81 -1.728 -3.372 -16.657 1.00 31.34 N ATOM 1308 CA LEU A 81 -2.882 -3.425 -17.572 1.00 72.45 C ATOM 1309 C LEU A 81 -3.172 -2.013 -18.128 1.00 1.23 C ATOM 1310 O LEU A 81 -3.335 -1.832 -19.337 1.00 30.42 O ATOM 1311 CB LEU A 81 -4.107 -4.033 -16.800 1.00 43.42 C ATOM 1312 CG LEU A 81 -5.413 -4.394 -17.608 1.00 11.54 C ATOM 1313 CD1 LEU A 81 -6.263 -5.436 -16.839 1.00 4.15 C ATOM 1314 CD2 LEU A 81 -6.270 -3.148 -17.925 1.00 54.45 C ATOM 0 H LEU A 81 -1.993 -3.255 -15.679 1.00 31.34 H new ATOM 0 HA LEU A 81 -2.672 -4.065 -18.429 1.00 72.45 H new ATOM 0 HB2 LEU A 81 -3.766 -4.941 -16.302 1.00 43.42 H new ATOM 0 HB3 LEU A 81 -4.387 -3.327 -16.018 1.00 43.42 H new ATOM 0 HG LEU A 81 -5.088 -4.822 -18.556 1.00 11.54 H new ATOM 0 HD11 LEU A 81 -7.159 -5.671 -17.414 1.00 4.15 H new ATOM 0 HD12 LEU A 81 -5.679 -6.344 -16.691 1.00 4.15 H new ATOM 0 HD13 LEU A 81 -6.550 -5.027 -15.870 1.00 4.15 H new ATOM 0 HD21 LEU A 81 -7.157 -3.449 -18.482 1.00 54.45 H new ATOM 0 HD22 LEU A 81 -6.571 -2.667 -16.994 1.00 54.45 H new ATOM 0 HD23 LEU A 81 -5.687 -2.448 -18.523 1.00 54.45 H new ATOM 1326 N LEU A 82 -3.199 -1.023 -17.221 1.00 53.40 N ATOM 1327 CA LEU A 82 -3.736 0.326 -17.496 1.00 10.35 C ATOM 1328 C LEU A 82 -2.645 1.234 -18.092 1.00 2.12 C ATOM 1329 O LEU A 82 -2.693 1.584 -19.276 1.00 52.42 O ATOM 1330 CB LEU A 82 -4.313 0.935 -16.167 1.00 14.21 C ATOM 1331 CG LEU A 82 -5.672 0.341 -15.654 1.00 51.13 C ATOM 1332 CD1 LEU A 82 -5.931 0.715 -14.175 1.00 31.52 C ATOM 1333 CD2 LEU A 82 -6.844 0.800 -16.542 1.00 12.11 C ATOM 0 H LEU A 82 -2.848 -1.134 -16.270 1.00 53.40 H new ATOM 0 HA LEU A 82 -4.539 0.253 -18.230 1.00 10.35 H new ATOM 0 HB2 LEU A 82 -3.568 0.808 -15.382 1.00 14.21 H new ATOM 0 HB3 LEU A 82 -4.443 2.007 -16.312 1.00 14.21 H new ATOM 0 HG LEU A 82 -5.598 -0.745 -15.716 1.00 51.13 H new ATOM 0 HD11 LEU A 82 -6.880 0.287 -13.852 1.00 31.52 H new ATOM 0 HD12 LEU A 82 -5.126 0.322 -13.554 1.00 31.52 H new ATOM 0 HD13 LEU A 82 -5.969 1.800 -14.075 1.00 31.52 H new ATOM 0 HD21 LEU A 82 -7.774 0.375 -16.165 1.00 12.11 H new ATOM 0 HD22 LEU A 82 -6.909 1.888 -16.525 1.00 12.11 H new ATOM 0 HD23 LEU A 82 -6.679 0.463 -17.565 1.00 12.11 H new ATOM 1490 N LEU A 92 -0.509 11.579 -7.677 1.00 71.22 N ATOM 1491 CA LEU A 92 0.753 11.537 -6.885 1.00 32.45 C ATOM 1492 C LEU A 92 1.644 12.759 -7.204 1.00 43.25 C ATOM 1493 O LEU A 92 1.212 13.668 -7.919 1.00 32.33 O ATOM 1494 CB LEU A 92 1.504 10.207 -7.176 1.00 14.24 C ATOM 1495 CG LEU A 92 0.760 8.894 -6.786 1.00 13.13 C ATOM 1496 CD1 LEU A 92 1.567 7.661 -7.195 1.00 22.12 C ATOM 1497 CD2 LEU A 92 0.408 8.851 -5.293 1.00 61.24 C ATOM 0 HA LEU A 92 0.509 11.579 -5.824 1.00 32.45 H new ATOM 0 HB2 LEU A 92 1.731 10.168 -8.241 1.00 14.24 H new ATOM 0 HB3 LEU A 92 2.457 10.230 -6.648 1.00 14.24 H new ATOM 0 HG LEU A 92 -0.180 8.884 -7.338 1.00 13.13 H new ATOM 0 HD11 LEU A 92 1.024 6.760 -6.911 1.00 22.12 H new ATOM 0 HD12 LEU A 92 1.719 7.667 -8.274 1.00 22.12 H new ATOM 0 HD13 LEU A 92 2.534 7.676 -6.692 1.00 22.12 H new ATOM 0 HD21 LEU A 92 -0.109 7.918 -5.068 1.00 61.24 H new ATOM 0 HD22 LEU A 92 1.322 8.911 -4.702 1.00 61.24 H new ATOM 0 HD23 LEU A 92 -0.239 9.693 -5.047 1.00 61.24 H new ATOM 1509 N ILE A 93 2.887 12.764 -6.655 1.00 75.41 N ATOM 1510 CA ILE A 93 3.865 13.864 -6.827 1.00 20.22 C ATOM 1511 C ILE A 93 4.204 14.103 -8.319 1.00 23.41 C ATOM 1512 O ILE A 93 3.753 15.090 -8.912 1.00 63.35 O ATOM 1513 CB ILE A 93 5.189 13.576 -6.002 1.00 41.31 C ATOM 1514 CG1 ILE A 93 4.850 13.332 -4.500 1.00 62.14 C ATOM 1515 CG2 ILE A 93 6.225 14.719 -6.153 1.00 74.21 C ATOM 1516 CD1 ILE A 93 6.034 12.985 -3.606 1.00 72.23 C ATOM 0 H ILE A 93 3.238 12.000 -6.078 1.00 75.41 H new ATOM 0 HA ILE A 93 3.401 14.772 -6.441 1.00 20.22 H new ATOM 0 HB ILE A 93 5.643 12.674 -6.411 1.00 41.31 H new ATOM 0 HG12 ILE A 93 4.369 14.227 -4.105 1.00 62.14 H new ATOM 0 HG13 ILE A 93 4.121 12.524 -4.437 1.00 62.14 H new ATOM 0 HG21 ILE A 93 7.116 14.481 -5.572 1.00 74.21 H new ATOM 0 HG22 ILE A 93 6.495 14.829 -7.203 1.00 74.21 H new ATOM 0 HG23 ILE A 93 5.793 15.652 -5.790 1.00 74.21 H new ATOM 0 HD11 ILE A 93 5.687 12.836 -2.584 1.00 72.23 H new ATOM 0 HD12 ILE A 93 6.506 12.071 -3.966 1.00 72.23 H new ATOM 0 HD13 ILE A 93 6.758 13.800 -3.628 1.00 72.23 H new ATOM 1528 N GLY A 94 4.957 13.165 -8.924 1.00 12.34 N ATOM 1529 CA GLY A 94 5.463 13.323 -10.295 1.00 15.32 C ATOM 1530 C GLY A 94 5.379 12.026 -11.090 1.00 44.01 C ATOM 1531 O GLY A 94 4.291 11.457 -11.237 1.00 42.14 O ATOM 0 H GLY A 94 5.228 12.287 -8.480 1.00 12.34 H new ATOM 0 HA2 GLY A 94 4.891 14.098 -10.805 1.00 15.32 H new ATOM 0 HA3 GLY A 94 6.499 13.661 -10.262 1.00 15.32 H new ATOM 1535 N GLN A 95 6.520 11.561 -11.619 1.00 73.21 N ATOM 1536 CA GLN A 95 6.604 10.275 -12.341 1.00 31.54 C ATOM 1537 C GLN A 95 6.896 9.134 -11.347 1.00 73.20 C ATOM 1538 O GLN A 95 7.579 9.359 -10.339 1.00 22.30 O ATOM 1539 CB GLN A 95 7.667 10.325 -13.479 1.00 73.33 C ATOM 1540 CG GLN A 95 9.148 10.400 -13.047 1.00 34.44 C ATOM 1541 CD GLN A 95 9.538 11.702 -12.344 1.00 54.21 C ATOM 1542 OE1 GLN A 95 9.484 11.808 -11.114 1.00 72.20 O ATOM 1543 NE2 GLN A 95 9.908 12.705 -13.120 1.00 1.24 N ATOM 0 H GLN A 95 7.408 12.060 -11.561 1.00 73.21 H new ATOM 0 HA GLN A 95 5.642 10.083 -12.817 1.00 31.54 H new ATOM 0 HB2 GLN A 95 7.539 9.440 -14.102 1.00 73.33 H new ATOM 0 HB3 GLN A 95 7.452 11.190 -14.107 1.00 73.33 H new ATOM 0 HG2 GLN A 95 9.362 9.564 -12.381 1.00 34.44 H new ATOM 0 HG3 GLN A 95 9.777 10.275 -13.928 1.00 34.44 H new ATOM 0 HE21 GLN A 95 9.941 12.582 -14.132 1.00 1.24 H new ATOM 0 HE22 GLN A 95 10.161 13.603 -12.707 1.00 1.24 H new ATOM 1552 N SER A 96 6.370 7.926 -11.660 1.00 62.51 N ATOM 1553 CA SER A 96 6.438 6.706 -10.819 1.00 11.53 C ATOM 1554 C SER A 96 5.937 6.970 -9.367 1.00 51.41 C ATOM 1555 O SER A 96 4.792 6.645 -9.048 1.00 5.22 O ATOM 1556 CB SER A 96 7.847 6.033 -10.852 1.00 63.13 C ATOM 1557 OG SER A 96 8.882 6.908 -10.436 1.00 32.51 O ATOM 0 H SER A 96 5.870 7.768 -12.535 1.00 62.51 H new ATOM 0 HA SER A 96 5.750 5.985 -11.261 1.00 11.53 H new ATOM 0 HB2 SER A 96 7.840 5.153 -10.208 1.00 63.13 H new ATOM 0 HB3 SER A 96 8.055 5.686 -11.864 1.00 63.13 H new ATOM 0 HG SER A 96 9.742 6.439 -10.473 1.00 32.51 H new ATOM 1563 N THR A 97 6.816 7.565 -8.527 1.00 54.10 N ATOM 1564 CA THR A 97 6.519 7.985 -7.140 1.00 43.12 C ATOM 1565 C THR A 97 6.252 6.768 -6.210 1.00 21.21 C ATOM 1566 O THR A 97 7.162 6.334 -5.503 1.00 14.01 O ATOM 1567 CB THR A 97 5.352 9.044 -7.064 1.00 4.21 C ATOM 1568 OG1 THR A 97 5.612 10.151 -7.948 1.00 33.32 O ATOM 1569 CG2 THR A 97 5.133 9.583 -5.634 1.00 41.03 C ATOM 0 H THR A 97 7.776 7.771 -8.804 1.00 54.10 H new ATOM 0 HA THR A 97 7.416 8.484 -6.772 1.00 43.12 H new ATOM 0 HB THR A 97 4.445 8.524 -7.372 1.00 4.21 H new ATOM 0 HG1 THR A 97 4.822 10.318 -8.504 1.00 33.32 H new ATOM 0 HG21 THR A 97 4.319 10.308 -5.639 1.00 41.03 H new ATOM 0 HG22 THR A 97 4.880 8.757 -4.969 1.00 41.03 H new ATOM 0 HG23 THR A 97 6.046 10.065 -5.283 1.00 41.03 H new ATOM 1577 N ARG A 98 5.017 6.204 -6.254 1.00 15.23 N ATOM 1578 CA ARG A 98 4.558 5.179 -5.278 1.00 31.10 C ATOM 1579 C ARG A 98 5.403 3.880 -5.337 1.00 53.40 C ATOM 1580 O ARG A 98 5.818 3.363 -4.306 1.00 61.10 O ATOM 1581 CB ARG A 98 3.035 4.869 -5.459 1.00 1.42 C ATOM 1582 CG ARG A 98 2.632 3.905 -6.604 1.00 45.41 C ATOM 1583 CD ARG A 98 2.929 4.412 -8.035 1.00 61.21 C ATOM 1584 NE ARG A 98 2.805 3.338 -9.041 1.00 42.53 N ATOM 1585 CZ ARG A 98 3.137 3.441 -10.347 1.00 2.15 C ATOM 1586 NH1 ARG A 98 3.619 4.572 -10.859 1.00 71.13 N ATOM 1587 NH2 ARG A 98 2.998 2.389 -11.143 1.00 11.24 N ATOM 0 H ARG A 98 4.318 6.443 -6.958 1.00 15.23 H new ATOM 0 HA ARG A 98 4.705 5.604 -4.285 1.00 31.10 H new ATOM 0 HB2 ARG A 98 2.663 4.453 -4.523 1.00 1.42 H new ATOM 0 HB3 ARG A 98 2.516 5.814 -5.617 1.00 1.42 H new ATOM 0 HG2 ARG A 98 3.151 2.958 -6.458 1.00 45.41 H new ATOM 0 HG3 ARG A 98 1.565 3.700 -6.524 1.00 45.41 H new ATOM 0 HD2 ARG A 98 2.242 5.221 -8.282 1.00 61.21 H new ATOM 0 HD3 ARG A 98 3.936 4.827 -8.070 1.00 61.21 H new ATOM 0 HE ARG A 98 2.437 2.441 -8.723 1.00 42.53 H new ATOM 0 HH11 ARG A 98 3.746 5.389 -10.262 1.00 71.13 H new ATOM 0 HH12 ARG A 98 3.861 4.621 -11.849 1.00 71.13 H new ATOM 0 HH21 ARG A 98 2.642 1.509 -10.768 1.00 11.24 H new ATOM 0 HH22 ARG A 98 3.247 2.460 -12.130 1.00 11.24 H new ATOM 1601 N GLN A 99 5.703 3.399 -6.564 1.00 65.23 N ATOM 1602 CA GLN A 99 6.402 2.114 -6.766 1.00 74.32 C ATOM 1603 C GLN A 99 7.872 2.229 -6.322 1.00 71.41 C ATOM 1604 O GLN A 99 8.399 1.339 -5.662 1.00 64.33 O ATOM 1605 CB GLN A 99 6.284 1.646 -8.252 1.00 73.22 C ATOM 1606 CG GLN A 99 6.741 2.682 -9.305 1.00 12.20 C ATOM 1607 CD GLN A 99 6.704 2.187 -10.766 1.00 40.02 C ATOM 1608 OE1 GLN A 99 7.490 2.634 -11.597 1.00 3.41 O ATOM 1609 NE2 GLN A 99 5.780 1.292 -11.099 1.00 52.43 N ATOM 0 H GLN A 99 5.470 3.884 -7.430 1.00 65.23 H new ATOM 0 HA GLN A 99 5.924 1.354 -6.147 1.00 74.32 H new ATOM 0 HB2 GLN A 99 6.874 0.738 -8.379 1.00 73.22 H new ATOM 0 HB3 GLN A 99 5.246 1.382 -8.452 1.00 73.22 H new ATOM 0 HG2 GLN A 99 6.109 3.566 -9.221 1.00 12.20 H new ATOM 0 HG3 GLN A 99 7.758 2.994 -9.068 1.00 12.20 H new ATOM 0 HE21 GLN A 99 5.138 0.935 -10.392 1.00 52.43 H new ATOM 0 HE22 GLN A 99 5.713 0.962 -12.062 1.00 52.43 H new ATOM 1618 N LYS A 100 8.479 3.383 -6.644 1.00 35.34 N ATOM 1619 CA LYS A 100 9.883 3.696 -6.325 1.00 31.33 C ATOM 1620 C LYS A 100 10.077 3.829 -4.793 1.00 23.15 C ATOM 1621 O LYS A 100 11.006 3.248 -4.221 1.00 11.34 O ATOM 1622 CB LYS A 100 10.284 5.014 -7.054 1.00 25.32 C ATOM 1623 CG LYS A 100 11.747 5.463 -6.838 1.00 14.44 C ATOM 1624 CD LYS A 100 12.782 4.495 -7.459 1.00 73.04 C ATOM 1625 CE LYS A 100 14.232 4.927 -7.167 1.00 45.34 C ATOM 1626 NZ LYS A 100 14.493 6.321 -7.620 1.00 65.53 N ATOM 0 H LYS A 100 8.002 4.136 -7.140 1.00 35.34 H new ATOM 0 HA LYS A 100 10.526 2.885 -6.668 1.00 31.33 H new ATOM 0 HB2 LYS A 100 10.113 4.886 -8.123 1.00 25.32 H new ATOM 0 HB3 LYS A 100 9.622 5.812 -6.719 1.00 25.32 H new ATOM 0 HG2 LYS A 100 11.883 6.455 -7.269 1.00 14.44 H new ATOM 0 HG3 LYS A 100 11.939 5.552 -5.769 1.00 14.44 H new ATOM 0 HD2 LYS A 100 12.618 3.491 -7.068 1.00 73.04 H new ATOM 0 HD3 LYS A 100 12.630 4.446 -8.537 1.00 73.04 H new ATOM 0 HE2 LYS A 100 14.426 4.850 -6.097 1.00 45.34 H new ATOM 0 HE3 LYS A 100 14.922 4.247 -7.666 1.00 45.34 H new ATOM 0 HZ1 LYS A 100 15.508 6.530 -7.532 1.00 65.53 H new ATOM 0 HZ2 LYS A 100 14.203 6.423 -8.613 1.00 65.53 H new ATOM 0 HZ3 LYS A 100 13.951 6.985 -7.031 1.00 65.53 H new ATOM 1640 N SER A 101 9.149 4.572 -4.161 1.00 12.45 N ATOM 1641 CA SER A 101 9.211 4.923 -2.729 1.00 41.40 C ATOM 1642 C SER A 101 8.902 3.705 -1.833 1.00 31.11 C ATOM 1643 O SER A 101 9.537 3.534 -0.796 1.00 25.13 O ATOM 1644 CB SER A 101 8.223 6.078 -2.427 1.00 22.45 C ATOM 1645 OG SER A 101 8.322 6.524 -1.080 1.00 70.45 O ATOM 0 H SER A 101 8.328 4.949 -4.634 1.00 12.45 H new ATOM 0 HA SER A 101 10.227 5.248 -2.504 1.00 41.40 H new ATOM 0 HB2 SER A 101 8.422 6.911 -3.101 1.00 22.45 H new ATOM 0 HB3 SER A 101 7.204 5.745 -2.625 1.00 22.45 H new ATOM 0 HG SER A 101 7.428 6.733 -0.738 1.00 70.45 H new ATOM 1651 N LEU A 102 7.919 2.871 -2.240 1.00 44.23 N ATOM 1652 CA LEU A 102 7.520 1.666 -1.470 1.00 61.34 C ATOM 1653 C LEU A 102 8.507 0.506 -1.685 1.00 24.10 C ATOM 1654 O LEU A 102 8.652 -0.341 -0.803 1.00 15.11 O ATOM 1655 CB LEU A 102 6.067 1.214 -1.810 1.00 43.43 C ATOM 1656 CG LEU A 102 4.910 1.914 -1.020 1.00 20.43 C ATOM 1657 CD1 LEU A 102 4.843 3.422 -1.288 1.00 23.25 C ATOM 1658 CD2 LEU A 102 3.561 1.222 -1.304 1.00 73.13 C ATOM 0 H LEU A 102 7.385 3.009 -3.098 1.00 44.23 H new ATOM 0 HA LEU A 102 7.546 1.945 -0.417 1.00 61.34 H new ATOM 0 HB2 LEU A 102 5.900 1.378 -2.875 1.00 43.43 H new ATOM 0 HB3 LEU A 102 5.996 0.140 -1.638 1.00 43.43 H new ATOM 0 HG LEU A 102 5.131 1.806 0.042 1.00 20.43 H new ATOM 0 HD11 LEU A 102 4.024 3.857 -0.716 1.00 23.25 H new ATOM 0 HD12 LEU A 102 5.782 3.887 -0.988 1.00 23.25 H new ATOM 0 HD13 LEU A 102 4.675 3.596 -2.351 1.00 23.25 H new ATOM 0 HD21 LEU A 102 2.770 1.723 -0.746 1.00 73.13 H new ATOM 0 HD22 LEU A 102 3.342 1.275 -2.370 1.00 73.13 H new ATOM 0 HD23 LEU A 102 3.616 0.178 -0.997 1.00 73.13 H new ATOM 1670 N ASN A 103 9.149 0.445 -2.869 1.00 45.52 N ATOM 1671 CA ASN A 103 10.241 -0.522 -3.129 1.00 65.31 C ATOM 1672 C ASN A 103 11.429 -0.181 -2.206 1.00 20.41 C ATOM 1673 O ASN A 103 11.999 -1.069 -1.554 1.00 14.22 O ATOM 1674 CB ASN A 103 10.670 -0.485 -4.624 1.00 15.24 C ATOM 1675 CG ASN A 103 11.650 -1.594 -5.049 1.00 43.11 C ATOM 1676 OD1 ASN A 103 12.463 -2.080 -4.267 1.00 44.43 O ATOM 1677 ND2 ASN A 103 11.585 -1.992 -6.311 1.00 52.24 N ATOM 0 H ASN A 103 8.933 1.051 -3.660 1.00 45.52 H new ATOM 0 HA ASN A 103 9.893 -1.533 -2.918 1.00 65.31 H new ATOM 0 HB2 ASN A 103 9.776 -0.554 -5.244 1.00 15.24 H new ATOM 0 HB3 ASN A 103 11.128 0.482 -4.831 1.00 15.24 H new ATOM 0 HD21 ASN A 103 12.218 -2.716 -6.651 1.00 52.24 H new ATOM 0 HD22 ASN A 103 10.902 -1.574 -6.943 1.00 52.24 H new ATOM 1684 N ASN A 104 11.756 1.125 -2.148 1.00 41.34 N ATOM 1685 CA ASN A 104 12.805 1.670 -1.261 1.00 53.13 C ATOM 1686 C ASN A 104 12.451 1.360 0.209 1.00 71.34 C ATOM 1687 O ASN A 104 13.270 0.829 0.959 1.00 44.01 O ATOM 1688 CB ASN A 104 12.941 3.207 -1.489 1.00 4.12 C ATOM 1689 CG ASN A 104 14.218 3.833 -0.908 1.00 35.54 C ATOM 1690 OD1 ASN A 104 14.767 3.373 0.085 1.00 21.11 O ATOM 1691 ND2 ASN A 104 14.697 4.901 -1.532 1.00 12.21 N ATOM 0 H ASN A 104 11.298 1.836 -2.718 1.00 41.34 H new ATOM 0 HA ASN A 104 13.762 1.203 -1.493 1.00 53.13 H new ATOM 0 HB2 ASN A 104 12.911 3.405 -2.560 1.00 4.12 H new ATOM 0 HB3 ASN A 104 12.077 3.704 -1.048 1.00 4.12 H new ATOM 0 HD21 ASN A 104 15.541 5.358 -1.186 1.00 12.21 H new ATOM 0 HD22 ASN A 104 14.221 5.265 -2.358 1.00 12.21 H new ATOM 1698 N ALA A 105 11.186 1.629 0.558 1.00 73.53 N ATOM 1699 CA ALA A 105 10.658 1.436 1.915 1.00 35.31 C ATOM 1700 C ALA A 105 10.679 -0.046 2.326 1.00 45.35 C ATOM 1701 O ALA A 105 10.889 -0.357 3.491 1.00 41.34 O ATOM 1702 CB ALA A 105 9.231 1.995 2.002 1.00 24.51 C ATOM 0 H ALA A 105 10.494 1.990 -0.099 1.00 73.53 H new ATOM 0 HA ALA A 105 11.301 1.977 2.609 1.00 35.31 H new ATOM 0 HB1 ALA A 105 8.844 1.849 3.011 1.00 24.51 H new ATOM 0 HB2 ALA A 105 9.242 3.060 1.768 1.00 24.51 H new ATOM 0 HB3 ALA A 105 8.592 1.474 1.289 1.00 24.51 H new ATOM 1708 N TYR A 106 10.467 -0.949 1.348 1.00 62.02 N ATOM 1709 CA TYR A 106 10.438 -2.404 1.593 1.00 44.44 C ATOM 1710 C TYR A 106 11.853 -2.913 1.918 1.00 22.53 C ATOM 1711 O TYR A 106 12.070 -3.576 2.943 1.00 53.22 O ATOM 1712 CB TYR A 106 9.863 -3.160 0.356 1.00 51.53 C ATOM 1713 CG TYR A 106 9.379 -4.601 0.648 1.00 74.31 C ATOM 1714 CD1 TYR A 106 10.260 -5.623 1.029 1.00 34.23 C ATOM 1715 CD2 TYR A 106 8.034 -4.926 0.554 1.00 24.53 C ATOM 1716 CE1 TYR A 106 9.808 -6.897 1.303 1.00 45.40 C ATOM 1717 CE2 TYR A 106 7.585 -6.193 0.821 1.00 21.42 C ATOM 1718 CZ TYR A 106 8.469 -7.175 1.198 1.00 33.53 C ATOM 1719 OH TYR A 106 8.003 -8.445 1.486 1.00 22.23 O ATOM 0 H TYR A 106 10.312 -0.692 0.373 1.00 62.02 H new ATOM 0 HA TYR A 106 9.787 -2.598 2.446 1.00 44.44 H new ATOM 0 HB2 TYR A 106 9.029 -2.586 -0.049 1.00 51.53 H new ATOM 0 HB3 TYR A 106 10.629 -3.198 -0.418 1.00 51.53 H new ATOM 0 HD1 TYR A 106 11.315 -5.408 1.110 1.00 34.23 H new ATOM 0 HD2 TYR A 106 7.325 -4.164 0.264 1.00 24.53 H new ATOM 0 HE1 TYR A 106 10.503 -7.669 1.598 1.00 45.40 H new ATOM 0 HE2 TYR A 106 6.533 -6.420 0.735 1.00 21.42 H new ATOM 0 HH TYR A 106 7.031 -8.473 1.363 1.00 22.23 H new ATOM 1729 N GLY A 107 12.800 -2.610 1.012 1.00 14.21 N ATOM 1730 CA GLY A 107 14.190 -3.044 1.162 1.00 74.43 C ATOM 1731 C GLY A 107 14.854 -2.460 2.401 1.00 42.11 C ATOM 1732 O GLY A 107 15.711 -3.097 3.022 1.00 42.14 O ATOM 0 H GLY A 107 12.622 -2.065 0.169 1.00 14.21 H new ATOM 0 HA2 GLY A 107 14.223 -4.132 1.215 1.00 74.43 H new ATOM 0 HA3 GLY A 107 14.756 -2.750 0.278 1.00 74.43 H new ATOM 1736 N ARG A 108 14.440 -1.242 2.769 1.00 32.53 N ATOM 1737 CA ARG A 108 14.922 -0.567 3.982 1.00 51.21 C ATOM 1738 C ARG A 108 14.132 -1.040 5.216 1.00 21.10 C ATOM 1739 O ARG A 108 14.611 -0.894 6.325 1.00 12.43 O ATOM 1740 CB ARG A 108 14.872 0.986 3.821 1.00 3.24 C ATOM 1741 CG ARG A 108 16.085 1.623 3.080 1.00 73.14 C ATOM 1742 CD ARG A 108 16.326 1.048 1.672 1.00 54.15 C ATOM 1743 NE ARG A 108 17.413 1.728 0.946 1.00 74.24 N ATOM 1744 CZ ARG A 108 17.667 1.576 -0.369 1.00 35.51 C ATOM 1745 NH1 ARG A 108 16.918 0.776 -1.124 1.00 23.35 N ATOM 1746 NH2 ARG A 108 18.681 2.233 -0.926 1.00 24.43 N ATOM 0 H ARG A 108 13.763 -0.696 2.236 1.00 32.53 H new ATOM 0 HA ARG A 108 15.966 -0.839 4.134 1.00 51.21 H new ATOM 0 HB2 ARG A 108 13.961 1.249 3.283 1.00 3.24 H new ATOM 0 HB3 ARG A 108 14.798 1.434 4.812 1.00 3.24 H new ATOM 0 HG2 ARG A 108 15.926 2.698 3.001 1.00 73.14 H new ATOM 0 HG3 ARG A 108 16.983 1.477 3.680 1.00 73.14 H new ATOM 0 HD2 ARG A 108 16.561 -0.013 1.755 1.00 54.15 H new ATOM 0 HD3 ARG A 108 15.406 1.126 1.092 1.00 54.15 H new ATOM 0 HE ARG A 108 18.016 2.358 1.476 1.00 74.24 H new ATOM 0 HH11 ARG A 108 16.138 0.266 -0.709 1.00 23.35 H new ATOM 0 HH12 ARG A 108 17.124 0.672 -2.118 1.00 23.35 H new ATOM 0 HH21 ARG A 108 19.263 2.849 -0.358 1.00 24.43 H new ATOM 0 HH22 ARG A 108 18.877 2.121 -1.921 1.00 24.43 H new ATOM 1760 N LEU A 109 12.913 -1.589 5.037 1.00 55.03 N ATOM 1761 CA LEU A 109 12.177 -2.255 6.153 1.00 15.42 C ATOM 1762 C LEU A 109 12.896 -3.554 6.541 1.00 42.45 C ATOM 1763 O LEU A 109 12.871 -3.970 7.699 1.00 41.54 O ATOM 1764 CB LEU A 109 10.693 -2.525 5.786 1.00 51.10 C ATOM 1765 CG LEU A 109 9.794 -3.157 6.900 1.00 21.35 C ATOM 1766 CD1 LEU A 109 9.783 -2.303 8.190 1.00 54.32 C ATOM 1767 CD2 LEU A 109 8.370 -3.389 6.372 1.00 3.23 C ATOM 0 H LEU A 109 12.416 -1.590 4.147 1.00 55.03 H new ATOM 0 HA LEU A 109 12.171 -1.581 7.010 1.00 15.42 H new ATOM 0 HB2 LEU A 109 10.242 -1.581 5.480 1.00 51.10 H new ATOM 0 HB3 LEU A 109 10.672 -3.184 4.918 1.00 51.10 H new ATOM 0 HG LEU A 109 10.225 -4.122 7.166 1.00 21.35 H new ATOM 0 HD11 LEU A 109 9.147 -2.779 8.936 1.00 54.32 H new ATOM 0 HD12 LEU A 109 10.798 -2.219 8.579 1.00 54.32 H new ATOM 0 HD13 LEU A 109 9.397 -1.309 7.965 1.00 54.32 H new ATOM 0 HD21 LEU A 109 7.757 -3.829 7.159 1.00 3.23 H new ATOM 0 HD22 LEU A 109 7.937 -2.437 6.064 1.00 3.23 H new ATOM 0 HD23 LEU A 109 8.404 -4.065 5.518 1.00 3.23 H new ATOM 1779 N SER A 110 13.533 -4.177 5.543 1.00 52.24 N ATOM 1780 CA SER A 110 14.432 -5.310 5.762 1.00 33.21 C ATOM 1781 C SER A 110 15.759 -4.825 6.402 1.00 52.35 C ATOM 1782 O SER A 110 16.228 -5.411 7.385 1.00 3.13 O ATOM 1783 CB SER A 110 14.689 -6.028 4.416 1.00 11.30 C ATOM 1784 OG SER A 110 15.449 -7.217 4.579 1.00 60.50 O ATOM 0 H SER A 110 13.438 -3.909 4.563 1.00 52.24 H new ATOM 0 HA SER A 110 13.970 -6.017 6.451 1.00 33.21 H new ATOM 0 HB2 SER A 110 13.735 -6.270 3.947 1.00 11.30 H new ATOM 0 HB3 SER A 110 15.214 -5.353 3.740 1.00 11.30 H new ATOM 0 HG SER A 110 15.587 -7.640 3.706 1.00 60.50 H new ATOM 1790 N GLY A 111 16.344 -3.732 5.847 1.00 22.32 N ATOM 1791 CA GLY A 111 17.684 -3.277 6.253 1.00 45.20 C ATOM 1792 C GLY A 111 17.722 -2.273 7.413 1.00 22.21 C ATOM 1793 O GLY A 111 18.268 -2.592 8.472 1.00 5.52 O ATOM 0 H GLY A 111 15.907 -3.159 5.125 1.00 22.32 H new ATOM 0 HA2 GLY A 111 18.275 -4.149 6.532 1.00 45.20 H new ATOM 0 HA3 GLY A 111 18.171 -2.825 5.389 1.00 45.20 H new ATOM 1797 N MET A 112 17.135 -1.066 7.236 1.00 12.23 N ATOM 1798 CA MET A 112 17.209 0.005 8.269 1.00 72.12 C ATOM 1799 C MET A 112 16.014 0.001 9.257 1.00 14.24 C ATOM 1800 O MET A 112 16.177 -0.410 10.416 1.00 11.12 O ATOM 1801 CB MET A 112 17.292 1.406 7.565 1.00 3.01 C ATOM 1802 CG MET A 112 18.707 1.848 7.162 1.00 42.44 C ATOM 1803 SD MET A 112 19.823 2.008 8.583 1.00 72.10 S ATOM 1804 CE MET A 112 18.930 3.159 9.642 1.00 51.21 C ATOM 0 H MET A 112 16.610 -0.807 6.400 1.00 12.23 H new ATOM 0 HA MET A 112 18.104 -0.194 8.858 1.00 72.12 H new ATOM 0 HB2 MET A 112 16.666 1.385 6.673 1.00 3.01 H new ATOM 0 HB3 MET A 112 16.870 2.157 8.233 1.00 3.01 H new ATOM 0 HG2 MET A 112 19.122 1.126 6.459 1.00 42.44 H new ATOM 0 HG3 MET A 112 18.650 2.804 6.641 1.00 42.44 H new ATOM 0 HE1 MET A 112 19.642 3.780 10.187 1.00 51.21 H new ATOM 0 HE2 MET A 112 18.289 3.794 9.030 1.00 51.21 H new ATOM 0 HE3 MET A 112 18.318 2.601 10.351 1.00 51.21 H new ATOM 1814 N LEU A 113 14.803 0.368 8.758 1.00 62.42 N ATOM 1815 CA LEU A 113 13.609 0.629 9.613 1.00 62.21 C ATOM 1816 C LEU A 113 12.453 1.187 8.740 1.00 54.04 C ATOM 1817 O LEU A 113 11.638 1.982 9.208 1.00 2.43 O ATOM 1818 CB LEU A 113 13.957 1.663 10.756 1.00 45.30 C ATOM 1819 CG LEU A 113 12.990 1.696 11.984 1.00 51.11 C ATOM 1820 CD1 LEU A 113 13.017 0.363 12.753 1.00 33.24 C ATOM 1821 CD2 LEU A 113 13.297 2.900 12.903 1.00 20.45 C ATOM 0 H LEU A 113 14.626 0.491 7.761 1.00 62.42 H new ATOM 0 HA LEU A 113 13.300 -0.309 10.074 1.00 62.21 H new ATOM 0 HB2 LEU A 113 14.962 1.446 11.119 1.00 45.30 H new ATOM 0 HB3 LEU A 113 13.985 2.660 10.317 1.00 45.30 H new ATOM 0 HG LEU A 113 11.975 1.827 11.609 1.00 51.11 H new ATOM 0 HD11 LEU A 113 12.334 0.418 13.601 1.00 33.24 H new ATOM 0 HD12 LEU A 113 12.708 -0.446 12.090 1.00 33.24 H new ATOM 0 HD13 LEU A 113 14.028 0.171 13.113 1.00 33.24 H new ATOM 0 HD21 LEU A 113 12.609 2.897 13.748 1.00 20.45 H new ATOM 0 HD22 LEU A 113 14.321 2.827 13.269 1.00 20.45 H new ATOM 0 HD23 LEU A 113 13.178 3.826 12.341 1.00 20.45 H new ATOM 1833 N LEU A 114 12.441 0.797 7.446 1.00 70.54 N ATOM 1834 CA LEU A 114 11.524 1.331 6.384 1.00 21.41 C ATOM 1835 C LEU A 114 11.986 2.728 5.892 1.00 73.31 C ATOM 1836 O LEU A 114 11.697 3.114 4.755 1.00 61.33 O ATOM 1837 CB LEU A 114 10.013 1.276 6.835 1.00 21.52 C ATOM 1838 CG LEU A 114 8.896 1.484 5.738 1.00 71.34 C ATOM 1839 CD1 LEU A 114 7.668 0.575 6.001 1.00 23.41 C ATOM 1840 CD2 LEU A 114 8.458 2.965 5.633 1.00 4.01 C ATOM 0 H LEU A 114 13.080 0.086 7.090 1.00 70.54 H new ATOM 0 HA LEU A 114 11.587 0.676 5.515 1.00 21.41 H new ATOM 0 HB2 LEU A 114 9.841 0.308 7.305 1.00 21.52 H new ATOM 0 HB3 LEU A 114 9.868 2.034 7.605 1.00 21.52 H new ATOM 0 HG LEU A 114 9.337 1.198 4.783 1.00 71.34 H new ATOM 0 HD11 LEU A 114 6.918 0.743 5.228 1.00 23.41 H new ATOM 0 HD12 LEU A 114 7.978 -0.470 5.984 1.00 23.41 H new ATOM 0 HD13 LEU A 114 7.243 0.811 6.976 1.00 23.41 H new ATOM 0 HD21 LEU A 114 7.689 3.063 4.867 1.00 4.01 H new ATOM 0 HD22 LEU A 114 8.059 3.295 6.592 1.00 4.01 H new ATOM 0 HD23 LEU A 114 9.317 3.580 5.366 1.00 4.01 H new