USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 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 39 SER OG : rot 180:sc= 0.301 USER MOD Set 1.2: A 40 GLN : amide:sc= -2.52 X(o=-2.2,f=-2.2) USER MOD Set 2.1: A 26 GLN : amide:sc= -4.46! C(o=-6!,f=-2.6!) USER MOD Set 2.2: A 55 GLN : amide:sc= -1.53! K(o=-6!,f=-2.6) USER MOD Set 3.1: A 24 ASN : amide:sc= 0.927 K(o=2,f=-3.2) USER MOD Set 3.2: A 27 LYS NZ :NH3+ -123:sc= 1.07 (180deg=0) USER MOD Set 4.1: A 21 ASN : amide:sc= -2.33! C(o=-4.5!,f=-0.84!) USER MOD Set 4.2: A 52 ASN : amide:sc= -2.18! K(o=-4.5!,f=0.65) USER MOD Single : A 1 VAL N :NH3+ 177:sc= -0.812 (180deg=-0.831) USER MOD Single : A 3 ASN : amide:sc=-0.00148 K(o=-0.0015,f=-0.55) USER MOD Single : A 4 LYS NZ :NH3+ 140:sc= 0.813 (180deg=-0.546) USER MOD Single : A 6 ASN : amide:sc= 0.779 K(o=0.78,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 158:sc= -0.0607 (180deg=-0.554) USER MOD Single : A 9 MET CE :methyl 153:sc= -0.28 (180deg=-1.6) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00123 K(o=-0.0012,f=-1.8) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 106:sc= 0.631 USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 137:sc= 0.708 (180deg=0.36) USER MOD Single : A 58 LYS NZ :NH3+ 159:sc= -0.0599 (180deg=-0.505) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.210 -7.676 -19.910 1.00 0.00 N ATOM 2 CA VAL A 1 5.068 -8.548 -18.705 1.00 0.00 C ATOM 3 C VAL A 1 3.642 -8.444 -18.163 1.00 0.00 C ATOM 4 O VAL A 1 2.889 -7.540 -18.539 1.00 0.00 O ATOM 5 CB VAL A 1 6.075 -8.112 -17.619 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.514 -8.305 -18.123 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.853 -6.633 -17.252 1.00 0.00 C ATOM 0 H1 VAL A 1 6.193 -7.708 -20.248 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.575 -8.015 -20.661 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.961 -6.697 -19.662 1.00 0.00 H new ATOM 0 HA VAL A 1 5.273 -9.582 -18.983 1.00 0.00 H new ATOM 0 HB VAL A 1 5.919 -8.729 -16.734 1.00 0.00 H new ATOM 0 HG11 VAL A 1 8.215 -7.994 -17.349 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.678 -9.356 -18.361 1.00 0.00 H new ATOM 0 HG13 VAL A 1 7.670 -7.702 -19.017 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.569 -6.337 -16.485 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.993 -6.013 -18.138 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.840 -6.500 -16.873 1.00 0.00 H new ATOM 17 N ASP A 2 3.285 -9.375 -17.271 1.00 0.00 N ATOM 18 CA ASP A 2 1.951 -9.391 -16.665 1.00 0.00 C ATOM 19 C ASP A 2 1.986 -10.083 -15.299 1.00 0.00 C ATOM 20 O ASP A 2 1.746 -9.442 -14.269 1.00 0.00 O ATOM 21 CB ASP A 2 0.937 -10.087 -17.598 1.00 0.00 C ATOM 22 CG ASP A 2 1.548 -11.334 -18.251 1.00 0.00 C ATOM 23 OD1 ASP A 2 2.194 -11.187 -19.277 1.00 0.00 O ATOM 24 OD2 ASP A 2 1.354 -12.417 -17.721 1.00 0.00 O ATOM 0 H ASP A 2 3.900 -10.125 -16.954 1.00 0.00 H new ATOM 0 HA ASP A 2 1.631 -8.359 -16.519 1.00 0.00 H new ATOM 0 HB2 ASP A 2 0.050 -10.368 -17.030 1.00 0.00 H new ATOM 0 HB3 ASP A 2 0.613 -9.390 -18.371 1.00 0.00 H new ATOM 29 N ASN A 3 2.285 -11.386 -15.298 1.00 0.00 N ATOM 30 CA ASN A 3 2.348 -12.162 -14.055 1.00 0.00 C ATOM 31 C ASN A 3 3.385 -11.574 -13.096 1.00 0.00 C ATOM 32 O ASN A 3 3.140 -11.474 -11.895 1.00 0.00 O ATOM 33 CB ASN A 3 2.708 -13.625 -14.367 1.00 0.00 C ATOM 34 CG ASN A 3 1.642 -14.273 -15.253 1.00 0.00 C ATOM 35 OD1 ASN A 3 0.448 -14.012 -15.096 1.00 0.00 O ATOM 36 ND2 ASN A 3 2.006 -15.115 -16.178 1.00 0.00 N ATOM 0 H ASN A 3 2.487 -11.924 -16.141 1.00 0.00 H new ATOM 0 HA ASN A 3 1.369 -12.120 -13.578 1.00 0.00 H new ATOM 0 HB2 ASN A 3 3.676 -13.667 -14.866 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.804 -14.186 -13.438 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.303 -15.557 -16.771 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.994 -15.332 -16.310 1.00 0.00 H new ATOM 43 N LYS A 4 4.537 -11.182 -13.641 1.00 0.00 N ATOM 44 CA LYS A 4 5.617 -10.601 -12.836 1.00 0.00 C ATOM 45 C LYS A 4 5.137 -9.367 -12.070 1.00 0.00 C ATOM 46 O LYS A 4 5.577 -9.116 -10.946 1.00 0.00 O ATOM 47 CB LYS A 4 6.786 -10.208 -13.759 1.00 0.00 C ATOM 48 CG LYS A 4 7.891 -9.471 -12.967 1.00 0.00 C ATOM 49 CD LYS A 4 7.824 -7.951 -13.234 1.00 0.00 C ATOM 50 CE LYS A 4 8.098 -7.164 -11.940 1.00 0.00 C ATOM 51 NZ LYS A 4 9.337 -7.676 -11.282 1.00 0.00 N ATOM 0 H LYS A 4 4.748 -11.255 -14.636 1.00 0.00 H new ATOM 0 HA LYS A 4 5.943 -11.347 -12.111 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.202 -11.101 -14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.421 -9.568 -14.563 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.773 -9.665 -11.901 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.870 -9.854 -13.255 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.555 -7.677 -13.995 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.842 -7.688 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.209 -6.104 -12.166 1.00 0.00 H new ATOM 0 HE3 LYS A 4 7.250 -7.258 -11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.884 -6.877 -10.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.078 -8.317 -10.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.913 -8.191 -11.979 1.00 0.00 H new ATOM 65 N PHE A 5 4.271 -8.584 -12.706 1.00 0.00 N ATOM 66 CA PHE A 5 3.771 -7.347 -12.107 1.00 0.00 C ATOM 67 C PHE A 5 2.642 -7.587 -11.092 1.00 0.00 C ATOM 68 O PHE A 5 2.741 -7.168 -9.935 1.00 0.00 O ATOM 69 CB PHE A 5 3.270 -6.418 -13.231 1.00 0.00 C ATOM 70 CG PHE A 5 3.756 -5.007 -12.981 1.00 0.00 C ATOM 71 CD1 PHE A 5 3.074 -4.183 -12.080 1.00 0.00 C ATOM 72 CD2 PHE A 5 4.895 -4.529 -13.642 1.00 0.00 C ATOM 73 CE1 PHE A 5 3.527 -2.880 -11.839 1.00 0.00 C ATOM 74 CE2 PHE A 5 5.348 -3.229 -13.405 1.00 0.00 C ATOM 75 CZ PHE A 5 4.664 -2.402 -12.503 1.00 0.00 C ATOM 0 H PHE A 5 3.900 -8.782 -13.635 1.00 0.00 H new ATOM 0 HA PHE A 5 4.594 -6.889 -11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.632 -6.772 -14.197 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.181 -6.436 -13.272 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.197 -4.552 -11.569 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.423 -5.166 -14.336 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.001 -2.245 -11.142 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.225 -2.861 -13.917 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.014 -1.397 -12.320 1.00 0.00 H new ATOM 85 N ASN A 6 1.556 -8.207 -11.553 1.00 0.00 N ATOM 86 CA ASN A 6 0.371 -8.444 -10.712 1.00 0.00 C ATOM 87 C ASN A 6 0.597 -9.429 -9.550 1.00 0.00 C ATOM 88 O ASN A 6 0.076 -9.207 -8.453 1.00 0.00 O ATOM 89 CB ASN A 6 -0.770 -8.955 -11.596 1.00 0.00 C ATOM 90 CG ASN A 6 -1.142 -7.898 -12.635 1.00 0.00 C ATOM 91 OD1 ASN A 6 -2.083 -7.130 -12.435 1.00 0.00 O ATOM 92 ND2 ASN A 6 -0.448 -7.809 -13.737 1.00 0.00 N ATOM 0 H ASN A 6 1.467 -8.557 -12.507 1.00 0.00 H new ATOM 0 HA ASN A 6 0.128 -7.488 -10.248 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.470 -9.877 -12.095 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -1.638 -9.194 -10.981 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -0.685 -7.103 -14.433 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.332 -8.446 -13.902 1.00 0.00 H new ATOM 99 N LYS A 7 1.327 -10.526 -9.790 1.00 0.00 N ATOM 100 CA LYS A 7 1.546 -11.540 -8.739 1.00 0.00 C ATOM 101 C LYS A 7 2.239 -10.966 -7.496 1.00 0.00 C ATOM 102 O LYS A 7 1.901 -11.349 -6.372 1.00 0.00 O ATOM 103 CB LYS A 7 2.372 -12.718 -9.286 1.00 0.00 C ATOM 104 CG LYS A 7 1.604 -13.442 -10.409 1.00 0.00 C ATOM 105 CD LYS A 7 0.402 -14.205 -9.828 1.00 0.00 C ATOM 106 CE LYS A 7 -0.208 -15.114 -10.903 1.00 0.00 C ATOM 107 NZ LYS A 7 0.751 -16.205 -11.242 1.00 0.00 N ATOM 0 H LYS A 7 1.771 -10.736 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 7 0.558 -11.887 -8.437 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.327 -12.355 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 7 2.595 -13.418 -8.481 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.261 -12.719 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.268 -14.135 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.718 -14.801 -8.972 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.347 -13.500 -9.467 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.145 -15.539 -10.544 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.442 -14.532 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.234 -17.004 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.453 -15.851 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.236 -16.522 -10.378 1.00 0.00 H new ATOM 121 N GLU A 8 3.208 -10.075 -7.694 1.00 0.00 N ATOM 122 CA GLU A 8 3.943 -9.481 -6.568 1.00 0.00 C ATOM 123 C GLU A 8 3.008 -8.684 -5.649 1.00 0.00 C ATOM 124 O GLU A 8 3.153 -8.709 -4.424 1.00 0.00 O ATOM 125 CB GLU A 8 5.047 -8.554 -7.102 1.00 0.00 C ATOM 126 CG GLU A 8 6.108 -9.374 -7.866 1.00 0.00 C ATOM 127 CD GLU A 8 7.223 -8.477 -8.450 1.00 0.00 C ATOM 128 OE1 GLU A 8 7.134 -7.260 -8.336 1.00 0.00 O ATOM 129 OE2 GLU A 8 8.155 -9.031 -9.015 1.00 0.00 O ATOM 0 H GLU A 8 3.504 -9.747 -8.613 1.00 0.00 H new ATOM 0 HA GLU A 8 4.384 -10.291 -5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.613 -7.802 -7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.515 -8.020 -6.275 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.550 -10.110 -7.195 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.627 -9.926 -8.673 1.00 0.00 H new ATOM 136 N MET A 9 2.061 -7.974 -6.256 1.00 0.00 N ATOM 137 CA MET A 9 1.109 -7.151 -5.503 1.00 0.00 C ATOM 138 C MET A 9 0.252 -7.988 -4.554 1.00 0.00 C ATOM 139 O MET A 9 -0.183 -7.486 -3.517 1.00 0.00 O ATOM 140 CB MET A 9 0.213 -6.370 -6.472 1.00 0.00 C ATOM 141 CG MET A 9 1.071 -5.373 -7.258 1.00 0.00 C ATOM 142 SD MET A 9 0.021 -4.383 -8.347 1.00 0.00 S ATOM 143 CE MET A 9 1.361 -3.593 -9.273 1.00 0.00 C ATOM 0 H MET A 9 1.929 -7.950 -7.267 1.00 0.00 H new ATOM 0 HA MET A 9 1.685 -6.454 -4.894 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.288 -7.055 -7.156 1.00 0.00 H new ATOM 0 HB3 MET A 9 -0.566 -5.843 -5.921 1.00 0.00 H new ATOM 0 HG2 MET A 9 1.611 -4.723 -6.570 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.818 -5.907 -7.845 1.00 0.00 H new ATOM 0 HE1 MET A 9 1.007 -3.326 -10.269 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.684 -2.694 -8.749 1.00 0.00 H new ATOM 0 HE3 MET A 9 2.200 -4.284 -9.360 1.00 0.00 H new ATOM 153 N ARG A 10 0.000 -9.254 -4.908 1.00 0.00 N ATOM 154 CA ARG A 10 -0.821 -10.135 -4.065 1.00 0.00 C ATOM 155 C ARG A 10 -0.265 -10.213 -2.637 1.00 0.00 C ATOM 156 O ARG A 10 -1.015 -10.459 -1.688 1.00 0.00 O ATOM 157 CB ARG A 10 -0.892 -11.546 -4.668 1.00 0.00 C ATOM 158 CG ARG A 10 -1.631 -11.504 -6.016 1.00 0.00 C ATOM 159 CD ARG A 10 -1.852 -12.932 -6.533 1.00 0.00 C ATOM 160 NE ARG A 10 -2.468 -12.899 -7.862 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.901 -14.007 -8.471 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.779 -15.175 -7.900 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.448 -13.921 -9.650 1.00 0.00 N ATOM 0 H ARG A 10 0.348 -9.689 -5.763 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.824 -9.711 -4.024 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.114 -11.942 -4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.407 -12.218 -3.982 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.589 -10.997 -5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.053 -10.931 -6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.900 -13.462 -6.578 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.490 -13.482 -5.842 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.570 -12.002 -8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.349 -15.250 -6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.114 -16.013 -8.376 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.544 -13.012 -10.103 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.781 -14.763 -10.121 1.00 0.00 H new ATOM 177 N ASN A 11 1.052 -10.011 -2.498 1.00 0.00 N ATOM 178 CA ASN A 11 1.709 -10.068 -1.185 1.00 0.00 C ATOM 179 C ASN A 11 1.633 -8.719 -0.447 1.00 0.00 C ATOM 180 O ASN A 11 2.119 -8.608 0.683 1.00 0.00 O ATOM 181 CB ASN A 11 3.181 -10.475 -1.363 1.00 0.00 C ATOM 182 CG ASN A 11 3.286 -11.849 -2.032 1.00 0.00 C ATOM 183 OD1 ASN A 11 2.572 -12.782 -1.660 1.00 0.00 O ATOM 184 ND2 ASN A 11 4.138 -12.029 -3.003 1.00 0.00 N ATOM 0 H ASN A 11 1.681 -9.808 -3.275 1.00 0.00 H new ATOM 0 HA ASN A 11 1.184 -10.809 -0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.699 -9.730 -1.967 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.677 -10.499 -0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.213 -12.941 -3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.730 -11.258 -3.312 1.00 0.00 H new ATOM 191 N ALA A 12 1.022 -7.706 -1.081 1.00 0.00 N ATOM 192 CA ALA A 12 0.896 -6.374 -0.466 1.00 0.00 C ATOM 193 C ALA A 12 0.075 -5.434 -1.360 1.00 0.00 C ATOM 194 O ALA A 12 0.580 -4.942 -2.375 1.00 0.00 O ATOM 195 CB ALA A 12 2.291 -5.770 -0.241 1.00 0.00 C ATOM 0 H ALA A 12 0.610 -7.782 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 12 0.383 -6.487 0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.192 -4.785 0.214 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.866 -6.419 0.420 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.806 -5.678 -1.197 1.00 0.00 H new ATOM 201 N TYR A 13 -1.186 -5.180 -0.977 1.00 0.00 N ATOM 202 CA TYR A 13 -2.052 -4.287 -1.757 1.00 0.00 C ATOM 203 C TYR A 13 -3.293 -3.859 -0.951 1.00 0.00 C ATOM 204 O TYR A 13 -3.314 -2.763 -0.380 1.00 0.00 O ATOM 205 CB TYR A 13 -2.470 -4.976 -3.072 1.00 0.00 C ATOM 206 CG TYR A 13 -3.148 -3.975 -3.990 1.00 0.00 C ATOM 207 CD1 TYR A 13 -2.376 -3.179 -4.850 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.543 -3.845 -3.987 1.00 0.00 C ATOM 209 CE1 TYR A 13 -2.999 -2.258 -5.701 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.164 -2.923 -4.839 1.00 0.00 C ATOM 211 CZ TYR A 13 -4.393 -2.131 -5.695 1.00 0.00 C ATOM 212 OH TYR A 13 -5.007 -1.223 -6.535 1.00 0.00 O ATOM 0 H TYR A 13 -1.623 -5.575 -0.144 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.487 -3.385 -1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -1.595 -5.399 -3.565 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.147 -5.803 -2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.300 -3.277 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.140 -4.457 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.404 -1.646 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.239 -2.824 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.978 -1.262 -6.406 1.00 0.00 H new ATOM 222 N TRP A 14 -4.323 -4.719 -0.921 1.00 0.00 N ATOM 223 CA TRP A 14 -5.571 -4.418 -0.202 1.00 0.00 C ATOM 224 C TRP A 14 -5.324 -4.159 1.287 1.00 0.00 C ATOM 225 O TRP A 14 -6.108 -3.454 1.931 1.00 0.00 O ATOM 226 CB TRP A 14 -6.568 -5.578 -0.345 1.00 0.00 C ATOM 227 CG TRP A 14 -6.937 -5.775 -1.783 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.769 -4.976 -2.495 1.00 0.00 C ATOM 229 CD2 TRP A 14 -6.507 -6.829 -2.689 1.00 0.00 C ATOM 230 NE1 TRP A 14 -7.871 -5.475 -3.782 1.00 0.00 N ATOM 231 CE2 TRP A 14 -7.111 -6.616 -3.950 1.00 0.00 C ATOM 232 CE3 TRP A 14 -5.656 -7.939 -2.539 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -6.880 -7.473 -5.026 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -5.421 -8.805 -3.620 1.00 0.00 C ATOM 235 CH2 TRP A 14 -6.032 -8.573 -4.862 1.00 0.00 C ATOM 0 H TRP A 14 -4.316 -5.627 -1.386 1.00 0.00 H new ATOM 0 HA TRP A 14 -5.983 -3.513 -0.649 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -6.130 -6.493 0.053 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -7.463 -5.371 0.242 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -8.270 -4.096 -2.120 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -8.438 -5.052 -4.517 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -5.181 -8.127 -1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -7.353 -7.288 -5.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -4.766 -9.655 -3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -5.848 -9.242 -5.689 1.00 0.00 H new ATOM 246 N GLU A 15 -4.249 -4.742 1.830 1.00 0.00 N ATOM 247 CA GLU A 15 -3.917 -4.583 3.253 1.00 0.00 C ATOM 248 C GLU A 15 -3.822 -3.103 3.635 1.00 0.00 C ATOM 249 O GLU A 15 -4.194 -2.722 4.748 1.00 0.00 O ATOM 250 CB GLU A 15 -2.585 -5.281 3.571 1.00 0.00 C ATOM 251 CG GLU A 15 -2.753 -6.816 3.509 1.00 0.00 C ATOM 252 CD GLU A 15 -2.837 -7.336 2.060 1.00 0.00 C ATOM 253 OE1 GLU A 15 -2.258 -6.721 1.173 1.00 0.00 O ATOM 254 OE2 GLU A 15 -3.482 -8.353 1.860 1.00 0.00 O ATOM 0 H GLU A 15 -3.595 -5.326 1.309 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.716 -5.042 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.822 -4.963 2.860 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.240 -4.986 4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.914 -7.292 4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.655 -7.103 4.049 1.00 0.00 H new ATOM 261 N ILE A 16 -3.336 -2.279 2.704 1.00 0.00 N ATOM 262 CA ILE A 16 -3.211 -0.840 2.946 1.00 0.00 C ATOM 263 C ILE A 16 -4.601 -0.228 3.148 1.00 0.00 C ATOM 264 O ILE A 16 -4.819 0.544 4.083 1.00 0.00 O ATOM 265 CB ILE A 16 -2.492 -0.169 1.751 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.105 -0.819 1.565 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.317 1.343 2.004 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.443 -0.298 0.284 1.00 0.00 C ATOM 0 H ILE A 16 -3.024 -2.581 1.781 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.621 -0.673 3.847 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.095 -0.307 0.853 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.473 -0.598 2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.207 -1.903 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.810 1.798 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.295 1.806 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.722 1.495 2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.535 -0.764 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.069 -0.542 -0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.324 0.783 0.350 1.00 0.00 H new ATOM 280 N ALA A 17 -5.530 -0.590 2.261 1.00 0.00 N ATOM 281 CA ALA A 17 -6.902 -0.085 2.333 1.00 0.00 C ATOM 282 C ALA A 17 -7.595 -0.562 3.614 1.00 0.00 C ATOM 283 O ALA A 17 -8.499 0.110 4.122 1.00 0.00 O ATOM 284 CB ALA A 17 -7.697 -0.557 1.110 1.00 0.00 C ATOM 0 H ALA A 17 -5.357 -1.230 1.486 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.864 1.004 2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.717 -0.177 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.224 -0.183 0.202 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.716 -1.647 1.087 1.00 0.00 H new ATOM 290 N LEU A 18 -7.171 -1.728 4.117 1.00 0.00 N ATOM 291 CA LEU A 18 -7.754 -2.308 5.333 1.00 0.00 C ATOM 292 C LEU A 18 -7.615 -1.337 6.515 1.00 0.00 C ATOM 293 O LEU A 18 -8.543 -1.186 7.312 1.00 0.00 O ATOM 294 CB LEU A 18 -7.044 -3.642 5.655 1.00 0.00 C ATOM 295 CG LEU A 18 -8.018 -4.672 6.274 1.00 0.00 C ATOM 296 CD1 LEU A 18 -8.671 -4.113 7.547 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.108 -5.050 5.255 1.00 0.00 C ATOM 0 H LEU A 18 -6.427 -2.288 3.701 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.815 -2.492 5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.610 -4.053 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.221 -3.459 6.345 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.447 -5.562 6.539 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.351 -4.856 7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.898 -3.878 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.227 -3.208 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.788 -5.776 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.665 -4.158 4.971 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.644 -5.485 4.370 1.00 0.00 H new ATOM 309 N LEU A 19 -6.454 -0.675 6.610 1.00 0.00 N ATOM 310 CA LEU A 19 -6.205 0.285 7.692 1.00 0.00 C ATOM 311 C LEU A 19 -7.190 1.462 7.575 1.00 0.00 C ATOM 312 O LEU A 19 -7.213 2.141 6.548 1.00 0.00 O ATOM 313 CB LEU A 19 -4.755 0.793 7.591 1.00 0.00 C ATOM 314 CG LEU A 19 -3.792 -0.027 8.491 1.00 0.00 C ATOM 315 CD1 LEU A 19 -4.129 -1.529 8.477 1.00 0.00 C ATOM 316 CD2 LEU A 19 -2.350 0.161 7.994 1.00 0.00 C ATOM 0 H LEU A 19 -5.679 -0.786 5.956 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.350 -0.199 8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.421 0.736 6.555 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.717 1.843 7.880 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.903 0.337 9.512 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.430 -2.065 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.145 -1.677 8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.050 -1.910 7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.670 -0.413 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.272 -0.187 6.964 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.084 1.217 8.041 1.00 0.00 H new ATOM 328 N PRO A 20 -8.014 1.696 8.592 1.00 0.00 N ATOM 329 CA PRO A 20 -9.045 2.789 8.589 1.00 0.00 C ATOM 330 C PRO A 20 -8.567 4.167 9.079 1.00 0.00 C ATOM 331 O PRO A 20 -9.312 5.143 8.947 1.00 0.00 O ATOM 332 CB PRO A 20 -10.098 2.229 9.544 1.00 0.00 C ATOM 333 CG PRO A 20 -9.312 1.478 10.571 1.00 0.00 C ATOM 334 CD PRO A 20 -8.068 0.936 9.861 1.00 0.00 C ATOM 0 HA PRO A 20 -9.376 3.002 7.573 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.685 3.027 9.999 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.798 1.575 9.024 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.032 2.131 11.398 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.903 0.665 10.992 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -7.169 1.092 10.457 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -8.148 -0.136 9.680 1.00 0.00 H new ATOM 342 N ASN A 21 -7.365 4.254 9.667 1.00 0.00 N ATOM 343 CA ASN A 21 -6.870 5.539 10.193 1.00 0.00 C ATOM 344 C ASN A 21 -5.962 6.264 9.203 1.00 0.00 C ATOM 345 O ASN A 21 -5.573 7.410 9.453 1.00 0.00 O ATOM 346 CB ASN A 21 -6.134 5.336 11.533 1.00 0.00 C ATOM 347 CG ASN A 21 -5.435 3.981 11.577 1.00 0.00 C ATOM 348 OD1 ASN A 21 -4.770 3.586 10.619 1.00 0.00 O ATOM 349 ND2 ASN A 21 -5.552 3.242 12.640 1.00 0.00 N ATOM 0 H ASN A 21 -6.727 3.468 9.790 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.746 6.167 10.355 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.402 6.131 11.673 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.845 5.409 12.356 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.092 2.332 12.682 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.103 3.572 13.432 1.00 0.00 H new ATOM 356 N LEU A 22 -5.638 5.623 8.076 1.00 0.00 N ATOM 357 CA LEU A 22 -4.787 6.279 7.080 1.00 0.00 C ATOM 358 C LEU A 22 -5.553 7.413 6.417 1.00 0.00 C ATOM 359 O LEU A 22 -6.705 7.235 6.010 1.00 0.00 O ATOM 360 CB LEU A 22 -4.326 5.316 5.975 1.00 0.00 C ATOM 361 CG LEU A 22 -3.537 4.138 6.553 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.562 2.977 5.549 1.00 0.00 C ATOM 363 CD2 LEU A 22 -2.082 4.557 6.785 1.00 0.00 C ATOM 0 H LEU A 22 -5.941 4.679 7.835 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.909 6.647 7.612 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.193 4.943 5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.706 5.854 5.257 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.986 3.830 7.497 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.002 2.134 5.954 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.593 2.674 5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.108 3.297 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.523 3.717 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.636 4.861 5.838 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.051 5.391 7.486 1.00 0.00 H new ATOM 375 N ASN A 23 -4.898 8.569 6.289 1.00 0.00 N ATOM 376 CA ASN A 23 -5.519 9.736 5.640 1.00 0.00 C ATOM 377 C ASN A 23 -5.903 9.393 4.192 1.00 0.00 C ATOM 378 O ASN A 23 -5.212 8.610 3.533 1.00 0.00 O ATOM 379 CB ASN A 23 -4.553 10.928 5.658 1.00 0.00 C ATOM 380 CG ASN A 23 -5.254 12.203 5.184 1.00 0.00 C ATOM 381 OD1 ASN A 23 -6.469 12.351 5.335 1.00 0.00 O ATOM 382 ND2 ASN A 23 -4.551 13.141 4.618 1.00 0.00 N ATOM 0 H ASN A 23 -3.947 8.726 6.621 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.420 10.005 6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.167 11.074 6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.697 10.718 5.016 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.005 13.997 4.300 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.546 13.020 4.493 1.00 0.00 H new ATOM 389 N ASN A 24 -7.023 9.956 3.720 1.00 0.00 N ATOM 390 CA ASN A 24 -7.517 9.679 2.363 1.00 0.00 C ATOM 391 C ASN A 24 -6.433 9.894 1.304 1.00 0.00 C ATOM 392 O ASN A 24 -6.299 9.096 0.371 1.00 0.00 O ATOM 393 CB ASN A 24 -8.719 10.581 2.051 1.00 0.00 C ATOM 394 CG ASN A 24 -9.445 10.080 0.801 1.00 0.00 C ATOM 395 OD1 ASN A 24 -9.946 8.954 0.777 1.00 0.00 O ATOM 396 ND2 ASN A 24 -9.535 10.855 -0.246 1.00 0.00 N ATOM 0 H ASN A 24 -7.603 10.603 4.254 1.00 0.00 H new ATOM 0 HA ASN A 24 -7.815 8.631 2.331 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -9.404 10.592 2.899 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.383 11.607 1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.019 10.528 -1.082 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.121 11.787 -0.228 1.00 0.00 H new ATOM 403 N GLN A 25 -5.663 10.971 1.458 1.00 0.00 N ATOM 404 CA GLN A 25 -4.590 11.277 0.512 1.00 0.00 C ATOM 405 C GLN A 25 -3.520 10.187 0.543 1.00 0.00 C ATOM 406 O GLN A 25 -3.063 9.725 -0.505 1.00 0.00 O ATOM 407 CB GLN A 25 -3.960 12.631 0.862 1.00 0.00 C ATOM 408 CG GLN A 25 -5.000 13.749 0.668 1.00 0.00 C ATOM 409 CD GLN A 25 -4.414 15.112 1.055 1.00 0.00 C ATOM 410 OE1 GLN A 25 -3.510 15.199 1.890 1.00 0.00 O ATOM 411 NE2 GLN A 25 -4.882 16.192 0.492 1.00 0.00 N ATOM 0 H GLN A 25 -5.760 11.641 2.221 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.013 11.322 -0.491 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.607 12.624 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.092 12.814 0.229 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.327 13.771 -0.372 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.881 13.541 1.275 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.629 16.124 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.500 17.104 0.743 1.00 0.00 H new ATOM 420 N GLN A 26 -3.133 9.784 1.755 1.00 0.00 N ATOM 421 CA GLN A 26 -2.113 8.746 1.935 1.00 0.00 C ATOM 422 C GLN A 26 -2.590 7.414 1.356 1.00 0.00 C ATOM 423 O GLN A 26 -1.808 6.673 0.757 1.00 0.00 O ATOM 424 CB GLN A 26 -1.800 8.577 3.429 1.00 0.00 C ATOM 425 CG GLN A 26 -1.176 9.869 3.985 1.00 0.00 C ATOM 426 CD GLN A 26 -0.934 9.739 5.488 1.00 0.00 C ATOM 427 OE1 GLN A 26 0.182 9.953 5.961 1.00 0.00 O ATOM 428 NE2 GLN A 26 -1.919 9.395 6.273 1.00 0.00 N ATOM 0 H GLN A 26 -3.509 10.159 2.626 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.211 9.053 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.713 8.340 3.976 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.115 7.741 3.573 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.235 10.075 3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.836 10.713 3.788 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.844 9.217 5.882 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.763 9.304 7.277 1.00 0.00 H new ATOM 437 N LYS A 27 -3.879 7.123 1.544 1.00 0.00 N ATOM 438 CA LYS A 27 -4.474 5.882 1.044 1.00 0.00 C ATOM 439 C LYS A 27 -4.353 5.811 -0.481 1.00 0.00 C ATOM 440 O LYS A 27 -3.726 4.896 -1.023 1.00 0.00 O ATOM 441 CB LYS A 27 -5.954 5.842 1.463 1.00 0.00 C ATOM 442 CG LYS A 27 -6.628 4.537 1.002 1.00 0.00 C ATOM 443 CD LYS A 27 -8.135 4.608 1.298 1.00 0.00 C ATOM 444 CE LYS A 27 -8.850 5.432 0.216 1.00 0.00 C ATOM 445 NZ LYS A 27 -10.054 6.095 0.798 1.00 0.00 N ATOM 0 H LYS A 27 -4.531 7.731 2.039 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.948 5.026 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.030 5.931 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.479 6.696 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.462 4.387 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.185 3.684 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.553 3.602 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.300 5.058 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.171 6.182 -0.191 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.144 4.786 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.899 5.813 0.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.163 5.807 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.940 7.128 0.747 1.00 0.00 H new ATOM 459 N ARG A 28 -4.962 6.789 -1.153 1.00 0.00 N ATOM 460 CA ARG A 28 -4.938 6.857 -2.615 1.00 0.00 C ATOM 461 C ARG A 28 -3.499 6.928 -3.136 1.00 0.00 C ATOM 462 O ARG A 28 -3.164 6.304 -4.148 1.00 0.00 O ATOM 463 CB ARG A 28 -5.725 8.093 -3.080 1.00 0.00 C ATOM 464 CG ARG A 28 -5.855 8.102 -4.612 1.00 0.00 C ATOM 465 CD ARG A 28 -6.599 9.367 -5.067 1.00 0.00 C ATOM 466 NE ARG A 28 -7.973 9.364 -4.552 1.00 0.00 N ATOM 467 CZ ARG A 28 -8.827 10.361 -4.806 1.00 0.00 C ATOM 468 NH1 ARG A 28 -8.462 11.386 -5.528 1.00 0.00 N ATOM 469 NH2 ARG A 28 -10.037 10.309 -4.326 1.00 0.00 N ATOM 0 H ARG A 28 -5.479 7.547 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.399 5.954 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.715 8.093 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.220 9.000 -2.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.866 8.067 -5.070 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.392 7.214 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.073 10.253 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.612 9.418 -6.156 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.286 8.578 -3.983 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.516 11.433 -5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.123 12.140 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.327 9.511 -3.760 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.694 11.066 -4.516 1.00 0.00 H new ATOM 483 N ALA A 29 -2.658 7.698 -2.442 1.00 0.00 N ATOM 484 CA ALA A 29 -1.261 7.860 -2.844 1.00 0.00 C ATOM 485 C ALA A 29 -0.504 6.528 -2.801 1.00 0.00 C ATOM 486 O ALA A 29 0.205 6.188 -3.753 1.00 0.00 O ATOM 487 CB ALA A 29 -0.572 8.875 -1.924 1.00 0.00 C ATOM 0 H ALA A 29 -2.919 8.216 -1.603 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.247 8.222 -3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.468 8.993 -2.227 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.082 9.836 -1.996 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.612 8.519 -0.895 1.00 0.00 H new ATOM 493 N PHE A 30 -0.643 5.788 -1.693 1.00 0.00 N ATOM 494 CA PHE A 30 0.050 4.504 -1.536 1.00 0.00 C ATOM 495 C PHE A 30 -0.367 3.495 -2.608 1.00 0.00 C ATOM 496 O PHE A 30 0.493 2.865 -3.236 1.00 0.00 O ATOM 497 CB PHE A 30 -0.236 3.922 -0.147 1.00 0.00 C ATOM 498 CG PHE A 30 0.791 4.431 0.852 1.00 0.00 C ATOM 499 CD1 PHE A 30 1.046 5.808 0.976 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.492 3.522 1.654 1.00 0.00 C ATOM 501 CE1 PHE A 30 1.997 6.264 1.897 1.00 0.00 C ATOM 502 CE2 PHE A 30 2.441 3.982 2.573 1.00 0.00 C ATOM 503 CZ PHE A 30 2.695 5.351 2.696 1.00 0.00 C ATOM 0 H PHE A 30 -1.224 6.054 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 30 1.118 4.692 -1.649 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.239 4.203 0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.208 2.833 -0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.508 6.514 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.299 2.463 1.563 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.192 7.322 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.979 3.277 3.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.428 5.704 3.406 1.00 0.00 H new ATOM 513 N ILE A 31 -1.682 3.337 -2.821 1.00 0.00 N ATOM 514 CA ILE A 31 -2.184 2.387 -3.830 1.00 0.00 C ATOM 515 C ILE A 31 -1.615 2.716 -5.222 1.00 0.00 C ATOM 516 O ILE A 31 -1.199 1.814 -5.951 1.00 0.00 O ATOM 517 CB ILE A 31 -3.731 2.367 -3.842 1.00 0.00 C ATOM 518 CG1 ILE A 31 -4.236 1.818 -2.485 1.00 0.00 C ATOM 519 CG2 ILE A 31 -4.238 1.468 -4.989 1.00 0.00 C ATOM 520 CD1 ILE A 31 -5.772 1.811 -2.433 1.00 0.00 C ATOM 0 H ILE A 31 -2.409 3.845 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.842 1.388 -3.561 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.109 3.378 -3.996 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.859 0.807 -2.334 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.843 2.429 -1.672 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.328 1.460 -4.990 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.877 1.856 -5.942 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.868 0.453 -4.847 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.102 1.421 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.145 2.827 -2.560 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.160 1.180 -3.232 1.00 0.00 H new ATOM 532 N ARG A 32 -1.567 4.005 -5.564 1.00 0.00 N ATOM 533 CA ARG A 32 -1.001 4.426 -6.849 1.00 0.00 C ATOM 534 C ARG A 32 0.512 4.178 -6.869 1.00 0.00 C ATOM 535 O ARG A 32 1.086 3.852 -7.916 1.00 0.00 O ATOM 536 CB ARG A 32 -1.287 5.913 -7.102 1.00 0.00 C ATOM 537 CG ARG A 32 -2.780 6.116 -7.404 1.00 0.00 C ATOM 538 CD ARG A 32 -3.039 7.582 -7.773 1.00 0.00 C ATOM 539 NE ARG A 32 -4.469 7.801 -8.008 1.00 0.00 N ATOM 540 CZ ARG A 32 -4.938 8.950 -8.504 1.00 0.00 C ATOM 541 NH1 ARG A 32 -4.130 9.938 -8.780 1.00 0.00 N ATOM 542 NH2 ARG A 32 -6.216 9.088 -8.714 1.00 0.00 N ATOM 0 H ARG A 32 -1.908 4.767 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.469 3.839 -7.639 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.001 6.501 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.686 6.270 -7.938 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.087 5.465 -8.223 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.377 5.839 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.691 8.233 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.472 7.845 -8.666 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.127 7.053 -7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.128 9.838 -8.617 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.501 10.810 -9.158 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.854 8.321 -8.500 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.579 9.963 -9.092 1.00 0.00 H new ATOM 556 N SER A 33 1.150 4.346 -5.700 1.00 0.00 N ATOM 557 CA SER A 33 2.598 4.149 -5.575 1.00 0.00 C ATOM 558 C SER A 33 2.994 2.724 -5.958 1.00 0.00 C ATOM 559 O SER A 33 4.070 2.514 -6.524 1.00 0.00 O ATOM 560 CB SER A 33 3.059 4.450 -4.143 1.00 0.00 C ATOM 561 OG SER A 33 4.481 4.530 -4.112 1.00 0.00 O ATOM 0 H SER A 33 0.686 4.617 -4.833 1.00 0.00 H new ATOM 0 HA SER A 33 3.089 4.840 -6.261 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.623 5.388 -3.798 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.713 3.669 -3.466 1.00 0.00 H new ATOM 0 HG SER A 33 4.778 4.724 -3.198 1.00 0.00 H new ATOM 567 N LEU A 34 2.124 1.746 -5.645 1.00 0.00 N ATOM 568 CA LEU A 34 2.406 0.336 -5.974 1.00 0.00 C ATOM 569 C LEU A 34 2.746 0.191 -7.460 1.00 0.00 C ATOM 570 O LEU A 34 3.772 -0.397 -7.815 1.00 0.00 O ATOM 571 CB LEU A 34 1.187 -0.556 -5.651 1.00 0.00 C ATOM 572 CG LEU A 34 1.335 -1.249 -4.286 1.00 0.00 C ATOM 573 CD1 LEU A 34 2.542 -2.196 -4.324 1.00 0.00 C ATOM 574 CD2 LEU A 34 1.502 -0.208 -3.165 1.00 0.00 C ATOM 0 H LEU A 34 1.234 1.902 -5.172 1.00 0.00 H new ATOM 0 HA LEU A 34 3.256 0.018 -5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.281 0.050 -5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.070 -1.309 -6.431 1.00 0.00 H new ATOM 0 HG LEU A 34 0.433 -1.825 -4.078 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.649 -2.688 -3.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.391 -2.947 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.445 -1.626 -4.543 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.605 -0.718 -2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.392 0.391 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.627 0.441 -3.138 1.00 0.00 H new ATOM 586 N TYR A 35 1.878 0.741 -8.310 1.00 0.00 N ATOM 587 CA TYR A 35 2.079 0.689 -9.757 1.00 0.00 C ATOM 588 C TYR A 35 3.357 1.441 -10.138 1.00 0.00 C ATOM 589 O TYR A 35 4.103 1.008 -11.020 1.00 0.00 O ATOM 590 CB TYR A 35 0.870 1.310 -10.475 1.00 0.00 C ATOM 591 CG TYR A 35 1.007 1.125 -11.975 1.00 0.00 C ATOM 592 CD1 TYR A 35 0.580 -0.067 -12.577 1.00 0.00 C ATOM 593 CD2 TYR A 35 1.561 2.144 -12.763 1.00 0.00 C ATOM 594 CE1 TYR A 35 0.707 -0.238 -13.961 1.00 0.00 C ATOM 595 CE2 TYR A 35 1.688 1.971 -14.146 1.00 0.00 C ATOM 596 CZ TYR A 35 1.261 0.781 -14.745 1.00 0.00 C ATOM 597 OH TYR A 35 1.387 0.610 -16.108 1.00 0.00 O ATOM 0 H TYR A 35 1.029 1.227 -8.021 1.00 0.00 H new ATOM 0 HA TYR A 35 2.179 -0.352 -10.063 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -0.051 0.843 -10.125 1.00 0.00 H new ATOM 0 HB3 TYR A 35 0.800 2.371 -10.236 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.153 -0.854 -11.973 1.00 0.00 H new ATOM 0 HD2 TYR A 35 1.890 3.064 -12.302 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.377 -1.156 -14.424 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.116 2.757 -14.751 1.00 0.00 H new ATOM 0 HH TYR A 35 1.789 1.412 -16.503 1.00 0.00 H new ATOM 607 N ASP A 36 3.585 2.576 -9.468 1.00 0.00 N ATOM 608 CA ASP A 36 4.761 3.407 -9.738 1.00 0.00 C ATOM 609 C ASP A 36 6.068 2.647 -9.475 1.00 0.00 C ATOM 610 O ASP A 36 7.011 2.744 -10.265 1.00 0.00 O ATOM 611 CB ASP A 36 4.712 4.671 -8.867 1.00 0.00 C ATOM 612 CG ASP A 36 5.592 5.770 -9.472 1.00 0.00 C ATOM 613 OD1 ASP A 36 6.785 5.547 -9.601 1.00 0.00 O ATOM 614 OD2 ASP A 36 5.059 6.820 -9.797 1.00 0.00 O ATOM 0 H ASP A 36 2.972 2.938 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 36 4.741 3.681 -10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.684 5.024 -8.784 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.052 4.438 -7.858 1.00 0.00 H new ATOM 619 N ASP A 37 6.122 1.905 -8.357 1.00 0.00 N ATOM 620 CA ASP A 37 7.330 1.146 -7.992 1.00 0.00 C ATOM 621 C ASP A 37 6.973 -0.161 -7.252 1.00 0.00 C ATOM 622 O ASP A 37 6.961 -0.197 -6.016 1.00 0.00 O ATOM 623 CB ASP A 37 8.230 2.023 -7.098 1.00 0.00 C ATOM 624 CG ASP A 37 8.883 3.144 -7.904 1.00 0.00 C ATOM 625 OD1 ASP A 37 9.542 2.848 -8.892 1.00 0.00 O ATOM 626 OD2 ASP A 37 8.739 4.279 -7.504 1.00 0.00 O ATOM 0 H ASP A 37 5.351 1.814 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 37 7.858 0.878 -8.907 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.638 2.450 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.001 1.406 -6.637 1.00 0.00 H new ATOM 631 N PRO A 38 6.690 -1.237 -7.975 1.00 0.00 N ATOM 632 CA PRO A 38 6.339 -2.560 -7.353 1.00 0.00 C ATOM 633 C PRO A 38 7.511 -3.177 -6.585 1.00 0.00 C ATOM 634 O PRO A 38 7.323 -4.105 -5.795 1.00 0.00 O ATOM 635 CB PRO A 38 5.954 -3.437 -8.551 1.00 0.00 C ATOM 636 CG PRO A 38 6.672 -2.834 -9.707 1.00 0.00 C ATOM 637 CD PRO A 38 6.675 -1.328 -9.451 1.00 0.00 C ATOM 0 HA PRO A 38 5.543 -2.459 -6.615 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.254 -4.473 -8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.876 -3.438 -8.711 1.00 0.00 H new ATOM 0 HG2 PRO A 38 7.688 -3.221 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 38 6.171 -3.071 -10.646 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.547 -0.846 -9.893 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.795 -0.845 -9.875 1.00 0.00 H new ATOM 645 N SER A 39 8.718 -2.662 -6.824 1.00 0.00 N ATOM 646 CA SER A 39 9.911 -3.168 -6.152 1.00 0.00 C ATOM 647 C SER A 39 9.885 -2.804 -4.670 1.00 0.00 C ATOM 648 O SER A 39 10.531 -3.465 -3.853 1.00 0.00 O ATOM 649 CB SER A 39 11.169 -2.584 -6.810 1.00 0.00 C ATOM 650 OG SER A 39 12.333 -3.072 -6.145 1.00 0.00 O ATOM 0 H SER A 39 8.893 -1.897 -7.476 1.00 0.00 H new ATOM 0 HA SER A 39 9.928 -4.254 -6.244 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.200 -2.858 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 39 11.142 -1.495 -6.764 1.00 0.00 H new ATOM 0 HG SER A 39 13.133 -2.698 -6.569 1.00 0.00 H new ATOM 656 N GLN A 40 9.161 -1.727 -4.344 1.00 0.00 N ATOM 657 CA GLN A 40 9.069 -1.239 -2.972 1.00 0.00 C ATOM 658 C GLN A 40 7.773 -1.687 -2.284 1.00 0.00 C ATOM 659 O GLN A 40 7.528 -1.299 -1.144 1.00 0.00 O ATOM 660 CB GLN A 40 9.139 0.300 -2.997 1.00 0.00 C ATOM 661 CG GLN A 40 10.597 0.774 -3.131 1.00 0.00 C ATOM 662 CD GLN A 40 11.270 0.176 -4.368 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.119 0.700 -5.472 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.006 -0.895 -4.248 1.00 0.00 N ATOM 0 H GLN A 40 8.629 -1.177 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 40 9.897 -1.658 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.549 0.683 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.702 0.704 -2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.623 1.862 -3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.156 0.491 -2.239 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.131 -1.328 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 40 12.457 -1.299 -5.069 1.00 0.00 H new ATOM 673 N SER A 41 6.947 -2.493 -2.975 1.00 0.00 N ATOM 674 CA SER A 41 5.663 -2.960 -2.408 1.00 0.00 C ATOM 675 C SER A 41 5.823 -3.441 -0.961 1.00 0.00 C ATOM 676 O SER A 41 4.947 -3.200 -0.123 1.00 0.00 O ATOM 677 CB SER A 41 5.078 -4.092 -3.263 1.00 0.00 C ATOM 678 OG SER A 41 5.031 -3.682 -4.621 1.00 0.00 O ATOM 0 H SER A 41 7.140 -2.833 -3.917 1.00 0.00 H new ATOM 0 HA SER A 41 4.980 -2.110 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.688 -4.990 -3.164 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.077 -4.346 -2.914 1.00 0.00 H new ATOM 0 HG SER A 41 5.741 -4.133 -5.124 1.00 0.00 H new ATOM 684 N ALA A 42 6.950 -4.095 -0.670 1.00 0.00 N ATOM 685 CA ALA A 42 7.220 -4.576 0.683 1.00 0.00 C ATOM 686 C ALA A 42 7.412 -3.390 1.631 1.00 0.00 C ATOM 687 O ALA A 42 6.819 -3.341 2.716 1.00 0.00 O ATOM 688 CB ALA A 42 8.476 -5.453 0.686 1.00 0.00 C ATOM 0 H ALA A 42 7.683 -4.301 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 42 6.371 -5.169 1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.670 -5.807 1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.325 -6.307 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.328 -4.870 0.336 1.00 0.00 H new ATOM 694 N ASN A 43 8.240 -2.429 1.206 1.00 0.00 N ATOM 695 CA ASN A 43 8.507 -1.238 2.012 1.00 0.00 C ATOM 696 C ASN A 43 7.230 -0.423 2.201 1.00 0.00 C ATOM 697 O ASN A 43 6.926 0.009 3.311 1.00 0.00 O ATOM 698 CB ASN A 43 9.563 -0.351 1.332 1.00 0.00 C ATOM 699 CG ASN A 43 10.906 -1.074 1.199 1.00 0.00 C ATOM 700 OD1 ASN A 43 11.113 -2.146 1.773 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.845 -0.532 0.475 1.00 0.00 N ATOM 0 H ASN A 43 8.733 -2.454 0.313 1.00 0.00 H new ATOM 0 HA ASN A 43 8.878 -1.569 2.982 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.209 -0.055 0.344 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.697 0.564 1.910 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.750 -0.994 0.384 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.675 0.354 -0.000 1.00 0.00 H new ATOM 708 N LEU A 44 6.487 -0.221 1.101 1.00 0.00 N ATOM 709 CA LEU A 44 5.236 0.555 1.131 1.00 0.00 C ATOM 710 C LEU A 44 4.259 -0.011 2.161 1.00 0.00 C ATOM 711 O LEU A 44 3.602 0.744 2.876 1.00 0.00 O ATOM 712 CB LEU A 44 4.561 0.533 -0.242 1.00 0.00 C ATOM 713 CG LEU A 44 5.470 1.142 -1.335 1.00 0.00 C ATOM 714 CD1 LEU A 44 4.785 1.029 -2.703 1.00 0.00 C ATOM 715 CD2 LEU A 44 5.752 2.621 -1.040 1.00 0.00 C ATOM 0 H LEU A 44 6.731 -0.584 0.180 1.00 0.00 H new ATOM 0 HA LEU A 44 5.495 1.578 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.310 -0.494 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.624 1.089 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 44 6.411 0.592 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.430 1.460 -3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.600 -0.021 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.838 1.568 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 44 6.393 3.032 -1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.812 3.173 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.251 2.711 -0.075 1.00 0.00 H new ATOM 727 N LEU A 45 4.182 -1.345 2.238 1.00 0.00 N ATOM 728 CA LEU A 45 3.301 -2.002 3.205 1.00 0.00 C ATOM 729 C LEU A 45 3.749 -1.647 4.624 1.00 0.00 C ATOM 730 O LEU A 45 2.930 -1.272 5.470 1.00 0.00 O ATOM 731 CB LEU A 45 3.339 -3.524 2.986 1.00 0.00 C ATOM 732 CG LEU A 45 2.646 -4.271 4.147 1.00 0.00 C ATOM 733 CD1 LEU A 45 1.167 -3.865 4.236 1.00 0.00 C ATOM 734 CD2 LEU A 45 2.745 -5.786 3.916 1.00 0.00 C ATOM 0 H LEU A 45 4.715 -1.984 1.647 1.00 0.00 H new ATOM 0 HA LEU A 45 2.276 -1.658 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.847 -3.771 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.374 -3.857 2.902 1.00 0.00 H new ATOM 0 HG LEU A 45 3.143 -4.007 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.692 -4.399 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.094 -2.792 4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.664 -4.116 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.256 -6.312 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.256 -6.044 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.794 -6.079 3.871 1.00 0.00 H new ATOM 746 N ALA A 46 5.062 -1.742 4.861 1.00 0.00 N ATOM 747 CA ALA A 46 5.626 -1.401 6.170 1.00 0.00 C ATOM 748 C ALA A 46 5.377 0.078 6.461 1.00 0.00 C ATOM 749 O ALA A 46 5.023 0.459 7.581 1.00 0.00 O ATOM 750 CB ALA A 46 7.132 -1.685 6.185 1.00 0.00 C ATOM 0 H ALA A 46 5.747 -2.049 4.171 1.00 0.00 H new ATOM 0 HA ALA A 46 5.145 -2.009 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.541 -1.428 7.162 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.305 -2.743 5.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.623 -1.086 5.418 1.00 0.00 H new ATOM 756 N GLU A 47 5.551 0.893 5.421 1.00 0.00 N ATOM 757 CA GLU A 47 5.337 2.332 5.512 1.00 0.00 C ATOM 758 C GLU A 47 3.871 2.639 5.805 1.00 0.00 C ATOM 759 O GLU A 47 3.567 3.574 6.543 1.00 0.00 O ATOM 760 CB GLU A 47 5.740 2.996 4.190 1.00 0.00 C ATOM 761 CG GLU A 47 7.275 3.070 4.073 1.00 0.00 C ATOM 762 CD GLU A 47 7.853 4.042 5.110 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.523 5.218 5.046 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.630 3.601 5.945 1.00 0.00 O ATOM 0 H GLU A 47 5.843 0.574 4.497 1.00 0.00 H new ATOM 0 HA GLU A 47 5.948 2.724 6.325 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.332 2.431 3.352 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.316 3.999 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.704 2.078 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.553 3.393 3.070 1.00 0.00 H new ATOM 771 N ALA A 48 2.972 1.845 5.220 1.00 0.00 N ATOM 772 CA ALA A 48 1.542 2.038 5.435 1.00 0.00 C ATOM 773 C ALA A 48 1.214 1.762 6.893 1.00 0.00 C ATOM 774 O ALA A 48 0.453 2.502 7.520 1.00 0.00 O ATOM 775 CB ALA A 48 0.735 1.099 4.532 1.00 0.00 C ATOM 0 H ALA A 48 3.208 1.070 4.600 1.00 0.00 H new ATOM 0 HA ALA A 48 1.278 3.066 5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.330 1.255 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.968 1.309 3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.992 0.065 4.761 1.00 0.00 H new ATOM 781 N LYS A 49 1.812 0.694 7.427 1.00 0.00 N ATOM 782 CA LYS A 49 1.597 0.325 8.819 1.00 0.00 C ATOM 783 C LYS A 49 2.133 1.431 9.729 1.00 0.00 C ATOM 784 O LYS A 49 1.536 1.735 10.761 1.00 0.00 O ATOM 785 CB LYS A 49 2.305 -1.001 9.132 1.00 0.00 C ATOM 786 CG LYS A 49 1.497 -1.790 10.174 1.00 0.00 C ATOM 787 CD LYS A 49 2.386 -2.861 10.826 1.00 0.00 C ATOM 788 CE LYS A 49 1.554 -4.108 11.149 1.00 0.00 C ATOM 789 NZ LYS A 49 2.385 -5.071 11.928 1.00 0.00 N ATOM 0 H LYS A 49 2.444 0.077 6.917 1.00 0.00 H new ATOM 0 HA LYS A 49 0.529 0.199 8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.414 -1.590 8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.310 -0.807 9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.111 -1.113 10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.636 -2.260 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.204 -3.123 10.156 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.835 -2.467 11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.669 -3.830 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.205 -4.574 10.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 1.822 -5.917 12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.217 -5.345 11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.697 -4.623 12.813 1.00 0.00 H new ATOM 803 N LYS A 50 3.262 2.028 9.322 1.00 0.00 N ATOM 804 CA LYS A 50 3.889 3.108 10.082 1.00 0.00 C ATOM 805 C LYS A 50 2.919 4.279 10.243 1.00 0.00 C ATOM 806 O LYS A 50 2.767 4.824 11.340 1.00 0.00 O ATOM 807 CB LYS A 50 5.154 3.570 9.349 1.00 0.00 C ATOM 808 CG LYS A 50 5.955 4.540 10.231 1.00 0.00 C ATOM 809 CD LYS A 50 7.310 4.840 9.569 1.00 0.00 C ATOM 810 CE LYS A 50 7.132 5.840 8.418 1.00 0.00 C ATOM 811 NZ LYS A 50 8.398 5.918 7.634 1.00 0.00 N ATOM 0 H LYS A 50 3.758 1.777 8.467 1.00 0.00 H new ATOM 0 HA LYS A 50 4.154 2.743 11.074 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.770 2.708 9.092 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.883 4.058 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.396 5.465 10.373 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.110 4.106 11.219 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.001 5.245 10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.751 3.917 9.193 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.310 5.528 7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.873 6.823 8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.177 5.924 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.907 6.790 7.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.994 5.095 7.854 1.00 0.00 H new ATOM 825 N LEU A 51 2.251 4.640 9.139 1.00 0.00 N ATOM 826 CA LEU A 51 1.270 5.729 9.151 1.00 0.00 C ATOM 827 C LEU A 51 0.133 5.384 10.111 1.00 0.00 C ATOM 828 O LEU A 51 -0.296 6.219 10.911 1.00 0.00 O ATOM 829 CB LEU A 51 0.714 5.941 7.731 1.00 0.00 C ATOM 830 CG LEU A 51 1.795 6.555 6.820 1.00 0.00 C ATOM 831 CD1 LEU A 51 1.256 6.660 5.387 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.180 7.956 7.328 1.00 0.00 C ATOM 0 H LEU A 51 2.373 4.194 8.230 1.00 0.00 H new ATOM 0 HA LEU A 51 1.752 6.648 9.485 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.379 4.989 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.156 6.597 7.768 1.00 0.00 H new ATOM 0 HG LEU A 51 2.678 5.916 6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.020 7.094 4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.995 5.666 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.370 7.294 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.944 8.381 6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.300 8.599 7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.569 7.881 8.344 1.00 0.00 H new ATOM 844 N ASN A 52 -0.330 4.137 10.028 1.00 0.00 N ATOM 845 CA ASN A 52 -1.402 3.649 10.894 1.00 0.00 C ATOM 846 C ASN A 52 -0.964 3.691 12.362 1.00 0.00 C ATOM 847 O ASN A 52 -1.698 4.189 13.220 1.00 0.00 O ATOM 848 CB ASN A 52 -1.772 2.211 10.468 1.00 0.00 C ATOM 849 CG ASN A 52 -2.323 1.381 11.634 1.00 0.00 C ATOM 850 OD1 ASN A 52 -1.557 0.770 12.380 1.00 0.00 O ATOM 851 ND2 ASN A 52 -3.608 1.315 11.830 1.00 0.00 N ATOM 0 H ASN A 52 0.022 3.444 9.367 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.278 4.289 10.793 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.514 2.250 9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.890 1.718 10.059 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.978 0.758 12.600 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.245 1.820 11.214 1.00 0.00 H new ATOM 858 N ASP A 53 0.226 3.155 12.635 1.00 0.00 N ATOM 859 CA ASP A 53 0.760 3.115 13.995 1.00 0.00 C ATOM 860 C ASP A 53 0.957 4.527 14.553 1.00 0.00 C ATOM 861 O ASP A 53 0.715 4.768 15.739 1.00 0.00 O ATOM 862 CB ASP A 53 2.099 2.351 14.009 1.00 0.00 C ATOM 863 CG ASP A 53 1.910 0.879 13.601 1.00 0.00 C ATOM 864 OD1 ASP A 53 0.906 0.288 13.976 1.00 0.00 O ATOM 865 OD2 ASP A 53 2.789 0.354 12.936 1.00 0.00 O ATOM 0 H ASP A 53 0.838 2.742 11.931 1.00 0.00 H new ATOM 0 HA ASP A 53 0.040 2.598 14.629 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.801 2.832 13.328 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.537 2.400 15.006 1.00 0.00 H new ATOM 870 N ALA A 54 1.407 5.449 13.696 1.00 0.00 N ATOM 871 CA ALA A 54 1.646 6.834 14.119 1.00 0.00 C ATOM 872 C ALA A 54 0.331 7.587 14.352 1.00 0.00 C ATOM 873 O ALA A 54 0.146 8.215 15.398 1.00 0.00 O ATOM 874 CB ALA A 54 2.472 7.563 13.054 1.00 0.00 C ATOM 0 H ALA A 54 1.612 5.265 12.714 1.00 0.00 H new ATOM 0 HA ALA A 54 2.192 6.808 15.062 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.648 8.591 13.371 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.427 7.055 12.924 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.929 7.562 12.109 1.00 0.00 H new ATOM 880 N GLN A 55 -0.568 7.531 13.364 1.00 0.00 N ATOM 881 CA GLN A 55 -1.863 8.221 13.450 1.00 0.00 C ATOM 882 C GLN A 55 -2.768 7.606 14.524 1.00 0.00 C ATOM 883 O GLN A 55 -3.633 8.296 15.072 1.00 0.00 O ATOM 884 CB GLN A 55 -2.571 8.193 12.085 1.00 0.00 C ATOM 885 CG GLN A 55 -1.776 9.025 11.069 1.00 0.00 C ATOM 886 CD GLN A 55 -2.275 8.726 9.662 1.00 0.00 C ATOM 887 OE1 GLN A 55 -2.749 9.619 8.959 1.00 0.00 O ATOM 888 NE2 GLN A 55 -2.195 7.506 9.210 1.00 0.00 N ATOM 0 H GLN A 55 -0.425 7.016 12.495 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.666 9.254 13.736 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.663 7.165 11.734 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.582 8.589 12.181 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.887 10.087 11.287 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.714 8.793 11.146 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.802 6.770 9.796 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.526 7.288 8.270 1.00 0.00 H new ATOM 897 N ALA A 56 -2.577 6.311 14.804 1.00 0.00 N ATOM 898 CA ALA A 56 -3.394 5.605 15.802 1.00 0.00 C ATOM 899 C ALA A 56 -3.349 6.312 17.167 1.00 0.00 C ATOM 900 O ALA A 56 -2.316 6.874 17.544 1.00 0.00 O ATOM 901 CB ALA A 56 -2.892 4.164 15.961 1.00 0.00 C ATOM 0 H ALA A 56 -1.867 5.731 14.356 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.425 5.604 15.449 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.501 3.646 16.702 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.965 3.646 15.005 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.853 4.175 16.290 1.00 0.00 H new ATOM 907 N PRO A 57 -4.445 6.291 17.912 1.00 0.00 N ATOM 908 CA PRO A 57 -4.528 6.941 19.260 1.00 0.00 C ATOM 909 C PRO A 57 -3.794 6.139 20.338 1.00 0.00 C ATOM 910 O PRO A 57 -3.651 4.917 20.227 1.00 0.00 O ATOM 911 CB PRO A 57 -6.033 6.994 19.542 1.00 0.00 C ATOM 912 CG PRO A 57 -6.610 5.842 18.788 1.00 0.00 C ATOM 913 CD PRO A 57 -5.727 5.642 17.554 1.00 0.00 C ATOM 0 HA PRO A 57 -4.052 7.922 19.272 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.237 6.909 20.609 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.464 7.938 19.209 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.624 4.943 19.404 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.641 6.046 18.498 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.589 4.584 17.331 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.171 6.099 16.669 1.00 0.00 H new ATOM 921 N LYS A 58 -3.340 6.840 21.379 1.00 0.00 N ATOM 922 CA LYS A 58 -2.622 6.205 22.490 1.00 0.00 C ATOM 923 C LYS A 58 -3.609 5.529 23.449 1.00 0.00 C ATOM 924 O LYS A 58 -3.444 4.347 23.708 1.00 0.00 O ATOM 925 CB LYS A 58 -1.794 7.253 23.257 1.00 0.00 C ATOM 926 CG LYS A 58 -0.829 7.986 22.306 1.00 0.00 C ATOM 927 CD LYS A 58 0.228 7.008 21.761 1.00 0.00 C ATOM 928 CE LYS A 58 1.267 7.769 20.925 1.00 0.00 C ATOM 929 NZ LYS A 58 2.029 8.706 21.801 1.00 0.00 N ATOM 930 OXT LYS A 58 -4.517 6.204 23.912 1.00 0.00 O ATOM 0 H LYS A 58 -3.456 7.849 21.477 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.953 5.449 22.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.460 7.973 23.733 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.229 6.767 24.052 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.387 8.427 21.480 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.339 8.805 22.833 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.720 6.494 22.587 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.253 6.243 21.151 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.950 7.066 20.448 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.771 8.323 20.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.933 8.948 21.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.473 9.572 21.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.213 8.252 22.718 1.00 0.00 H new TER 944 LYS A 58