USER MOD reduce.3.24.130724 H: found=0, std=0, add=575, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 575 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 28 ASN : amide:sc= -0.208 K(o=-0.76,f=-5.6) USER MOD Set 1.2: A 37 MET CE :methyl -166:sc= -0.548 (180deg=-0.493) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN :FLIP amide:sc= -2.84! C(o=-4.3!,f=-2.8!) USER MOD Single : A 11 THR OG1 : rot 50:sc= 0.259 USER MOD Single : A 23 GLN : amide:sc= -0.73 K(o=-0.73,f=-6.6!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= 0.195 (180deg=0.0017) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -122:sc= 0.834 USER MOD Single : A 59 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0158) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 156:sc= -0.17 (180deg=-0.982) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 TYR OH : rot -140:sc= -1.9! USER MOD Single : A 79 SER OG : rot 157:sc= -1.02 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 7 8.102 -8.743 -0.630 1.00 0.00 N ATOM 2 CA GLU A 7 8.031 -8.973 0.808 1.00 0.00 C ATOM 3 C GLU A 7 8.736 -10.272 1.187 1.00 0.00 C ATOM 4 O GLU A 7 9.621 -10.284 2.044 1.00 0.00 O ATOM 5 CB GLU A 7 6.572 -9.019 1.268 1.00 0.00 C ATOM 6 CG GLU A 7 5.883 -7.665 1.244 1.00 0.00 C ATOM 7 CD GLU A 7 5.909 -6.974 2.593 1.00 0.00 C ATOM 8 OE1 GLU A 7 5.004 -7.238 3.413 1.00 0.00 O ATOM 9 OE2 GLU A 7 6.834 -6.168 2.829 1.00 0.00 O ATOM 0 HA GLU A 7 8.536 -8.146 1.307 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.020 -9.709 0.630 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.532 -9.420 2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.368 -7.028 0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.849 -7.793 0.925 1.00 0.00 H new ATOM 16 N LEU A 8 8.337 -11.364 0.544 1.00 0.00 N ATOM 17 CA LEU A 8 8.930 -12.670 0.813 1.00 0.00 C ATOM 18 C LEU A 8 10.411 -12.681 0.449 1.00 0.00 C ATOM 19 O LEU A 8 10.916 -11.744 -0.169 1.00 0.00 O ATOM 20 CB LEU A 8 8.192 -13.758 0.031 1.00 0.00 C ATOM 21 CG LEU A 8 8.074 -13.536 -1.477 1.00 0.00 C ATOM 22 CD1 LEU A 8 9.356 -13.952 -2.180 1.00 0.00 C ATOM 23 CD2 LEU A 8 6.884 -14.303 -2.037 1.00 0.00 C ATOM 0 H LEU A 8 7.606 -11.371 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 8 8.836 -12.872 1.880 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.700 -14.707 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.188 -13.856 0.443 1.00 0.00 H new ATOM 0 HG LEU A 8 7.914 -12.473 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.253 -13.787 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 8 10.188 -13.359 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.547 -15.009 -1.992 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.815 -14.134 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.015 -15.368 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.969 -13.957 -1.556 1.00 0.00 H new ATOM 35 N SER A 9 11.102 -13.749 0.834 1.00 0.00 N ATOM 36 CA SER A 9 12.526 -13.882 0.549 1.00 0.00 C ATOM 37 C SER A 9 12.758 -14.819 -0.633 1.00 0.00 C ATOM 38 O SER A 9 11.824 -15.433 -1.145 1.00 0.00 O ATOM 39 CB SER A 9 13.268 -14.404 1.782 1.00 0.00 C ATOM 40 OG SER A 9 13.570 -13.350 2.679 1.00 0.00 O ATOM 0 H SER A 9 10.699 -14.535 1.344 1.00 0.00 H new ATOM 0 HA SER A 9 12.914 -12.897 0.291 1.00 0.00 H new ATOM 0 HB2 SER A 9 12.658 -15.153 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 9 14.189 -14.899 1.474 1.00 0.00 H new ATOM 0 HG SER A 9 14.042 -13.709 3.459 1.00 0.00 H new ATOM 46 N ASN A 10 14.013 -14.922 -1.060 1.00 0.00 N ATOM 47 CA ASN A 10 14.369 -15.783 -2.182 1.00 0.00 C ATOM 48 C ASN A 10 14.641 -17.208 -1.709 1.00 0.00 C ATOM 49 O ASN A 10 14.145 -18.173 -2.292 1.00 0.00 O ATOM 50 CB ASN A 10 15.600 -15.230 -2.904 1.00 0.00 C ATOM 51 CG ASN A 10 15.666 -15.672 -4.353 1.00 0.00 C ATOM 52 OD1 ASN A 10 16.679 -16.464 -4.685 1.00 0.00 O flip ATOM 53 ND2 ASN A 10 14.816 -15.305 -5.165 1.00 0.00 N flip ATOM 0 H ASN A 10 14.799 -14.421 -0.646 1.00 0.00 H new ATOM 0 HA ASN A 10 13.527 -15.803 -2.874 1.00 0.00 H new ATOM 0 HB2 ASN A 10 15.586 -14.141 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.501 -15.559 -2.385 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.054 -14.696 -4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.874 -15.610 -6.137 1.00 0.00 H new ATOM 60 N THR A 11 15.432 -17.333 -0.648 1.00 0.00 N ATOM 61 CA THR A 11 15.770 -18.639 -0.097 1.00 0.00 C ATOM 62 C THR A 11 15.628 -18.649 1.421 1.00 0.00 C ATOM 63 O THR A 11 16.567 -18.316 2.144 1.00 0.00 O ATOM 64 CB THR A 11 17.207 -19.051 -0.469 1.00 0.00 C ATOM 65 OG1 THR A 11 18.110 -17.972 -0.202 1.00 0.00 O ATOM 66 CG2 THR A 11 17.295 -19.442 -1.936 1.00 0.00 C ATOM 0 H THR A 11 15.850 -16.545 -0.153 1.00 0.00 H new ATOM 0 HA THR A 11 15.071 -19.355 -0.530 1.00 0.00 H new ATOM 0 HB THR A 11 17.483 -19.914 0.137 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.961 -17.638 0.707 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.319 -19.729 -2.175 1.00 0.00 H new ATOM 0 HG22 THR A 11 16.628 -20.282 -2.129 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.001 -18.595 -2.556 1.00 0.00 H new ATOM 74 N ARG A 12 14.448 -19.034 1.897 1.00 0.00 N ATOM 75 CA ARG A 12 14.183 -19.087 3.330 1.00 0.00 C ATOM 76 C ARG A 12 12.763 -19.573 3.603 1.00 0.00 C ATOM 77 O ARG A 12 11.790 -18.959 3.164 1.00 0.00 O ATOM 78 CB ARG A 12 14.392 -17.708 3.960 1.00 0.00 C ATOM 79 CG ARG A 12 15.131 -17.751 5.287 1.00 0.00 C ATOM 80 CD ARG A 12 15.511 -16.356 5.758 1.00 0.00 C ATOM 81 NE ARG A 12 16.077 -16.367 7.104 1.00 0.00 N ATOM 82 CZ ARG A 12 16.627 -15.304 7.679 1.00 0.00 C ATOM 83 NH1 ARG A 12 16.684 -14.150 7.029 1.00 0.00 N ATOM 84 NH2 ARG A 12 17.120 -15.393 8.908 1.00 0.00 N ATOM 0 H ARG A 12 13.661 -19.314 1.312 1.00 0.00 H new ATOM 0 HA ARG A 12 14.882 -19.793 3.778 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.949 -17.080 3.264 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.421 -17.235 4.109 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.504 -18.232 6.038 1.00 0.00 H new ATOM 0 HG3 ARG A 12 16.030 -18.359 5.185 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.233 -15.924 5.065 1.00 0.00 H new ATOM 0 HD3 ARG A 12 14.629 -15.715 5.741 1.00 0.00 H new ATOM 0 HE ARG A 12 16.048 -17.239 7.632 1.00 0.00 H new ATOM 0 HH11 ARG A 12 16.305 -14.077 6.085 1.00 0.00 H new ATOM 0 HH12 ARG A 12 17.107 -13.335 7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.077 -16.279 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.542 -14.576 9.349 1.00 0.00 H new ATOM 98 N LEU A 13 12.652 -20.680 4.329 1.00 0.00 N ATOM 99 CA LEU A 13 11.350 -21.250 4.660 1.00 0.00 C ATOM 100 C LEU A 13 11.170 -21.354 6.171 1.00 0.00 C ATOM 101 O LEU A 13 11.925 -22.049 6.851 1.00 0.00 O ATOM 102 CB LEU A 13 11.199 -22.631 4.021 1.00 0.00 C ATOM 103 CG LEU A 13 11.845 -22.810 2.647 1.00 0.00 C ATOM 104 CD1 LEU A 13 11.458 -24.151 2.045 1.00 0.00 C ATOM 105 CD2 LEU A 13 11.447 -21.671 1.719 1.00 0.00 C ATOM 0 H LEU A 13 13.447 -21.201 4.700 1.00 0.00 H new ATOM 0 HA LEU A 13 10.580 -20.588 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.624 -23.371 4.699 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.136 -22.854 3.932 1.00 0.00 H new ATOM 0 HG LEU A 13 12.928 -22.791 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.927 -24.260 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 13 11.794 -24.955 2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.375 -24.201 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.916 -21.814 0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.363 -21.659 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.777 -20.723 2.144 1.00 0.00 H new ATOM 117 N PHE A 14 10.163 -20.659 6.691 1.00 0.00 N ATOM 118 CA PHE A 14 9.882 -20.674 8.122 1.00 0.00 C ATOM 119 C PHE A 14 8.838 -21.734 8.460 1.00 0.00 C ATOM 120 O PHE A 14 7.695 -21.662 8.008 1.00 0.00 O ATOM 121 CB PHE A 14 9.396 -19.298 8.582 1.00 0.00 C ATOM 122 CG PHE A 14 8.396 -19.359 9.700 1.00 0.00 C ATOM 123 CD1 PHE A 14 8.758 -19.845 10.946 1.00 0.00 C ATOM 124 CD2 PHE A 14 7.092 -18.930 9.505 1.00 0.00 C ATOM 125 CE1 PHE A 14 7.839 -19.902 11.978 1.00 0.00 C ATOM 126 CE2 PHE A 14 6.170 -18.984 10.533 1.00 0.00 C ATOM 127 CZ PHE A 14 6.543 -19.472 11.770 1.00 0.00 C ATOM 0 H PHE A 14 9.528 -20.079 6.143 1.00 0.00 H new ATOM 0 HA PHE A 14 10.806 -20.919 8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.254 -18.708 8.904 1.00 0.00 H new ATOM 0 HB3 PHE A 14 8.950 -18.777 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.770 -20.183 11.113 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.794 -18.550 8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.134 -20.282 12.945 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.158 -18.645 10.369 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.823 -19.517 12.573 1.00 0.00 H new ATOM 137 N VAL A 15 9.240 -22.717 9.259 1.00 0.00 N ATOM 138 CA VAL A 15 8.340 -23.793 9.659 1.00 0.00 C ATOM 139 C VAL A 15 7.812 -23.570 11.072 1.00 0.00 C ATOM 140 O VAL A 15 8.322 -22.728 11.811 1.00 0.00 O ATOM 141 CB VAL A 15 9.039 -25.163 9.595 1.00 0.00 C ATOM 142 CG1 VAL A 15 8.021 -26.273 9.381 1.00 0.00 C ATOM 143 CG2 VAL A 15 10.090 -25.173 8.494 1.00 0.00 C ATOM 0 H VAL A 15 10.182 -22.791 9.642 1.00 0.00 H new ATOM 0 HA VAL A 15 7.507 -23.786 8.957 1.00 0.00 H new ATOM 0 HB VAL A 15 9.540 -25.341 10.547 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.534 -27.234 9.338 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.309 -26.278 10.206 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.489 -26.104 8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 15 10.575 -26.149 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.613 -24.973 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.836 -24.404 8.696 1.00 0.00 H new ATOM 153 N ARG A 16 6.786 -24.331 11.441 1.00 0.00 N ATOM 154 CA ARG A 16 6.188 -24.216 12.766 1.00 0.00 C ATOM 155 C ARG A 16 7.054 -24.908 13.815 1.00 0.00 C ATOM 156 O ARG A 16 8.008 -25.618 13.498 1.00 0.00 O ATOM 157 CB ARG A 16 4.783 -24.822 12.769 1.00 0.00 C ATOM 158 CG ARG A 16 3.673 -23.785 12.713 1.00 0.00 C ATOM 159 CD ARG A 16 3.952 -22.726 11.659 1.00 0.00 C ATOM 160 NE ARG A 16 2.757 -21.954 11.329 1.00 0.00 N ATOM 161 CZ ARG A 16 2.232 -21.033 12.131 1.00 0.00 C ATOM 162 NH1 ARG A 16 2.795 -20.771 13.302 1.00 0.00 N ATOM 163 NH2 ARG A 16 1.143 -20.372 11.760 1.00 0.00 N ATOM 0 H ARG A 16 6.352 -25.033 10.842 1.00 0.00 H new ATOM 0 HA ARG A 16 6.120 -23.157 13.016 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.684 -25.494 11.916 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.659 -25.427 13.667 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.725 -24.277 12.494 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.568 -23.310 13.688 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.730 -22.053 12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.335 -23.204 10.757 1.00 0.00 H new ATOM 0 HE ARG A 16 2.300 -22.131 10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.633 -21.277 13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.390 -20.064 13.916 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.708 -20.570 10.859 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.741 -19.665 12.376 1.00 0.00 H new ATOM 177 N PRO A 17 6.715 -24.696 15.095 1.00 0.00 N ATOM 178 CA PRO A 17 7.448 -25.290 16.217 1.00 0.00 C ATOM 179 C PRO A 17 7.243 -26.798 16.310 1.00 0.00 C ATOM 180 O PRO A 17 6.114 -27.276 16.420 1.00 0.00 O ATOM 181 CB PRO A 17 6.850 -24.592 17.441 1.00 0.00 C ATOM 182 CG PRO A 17 5.484 -24.180 17.012 1.00 0.00 C ATOM 183 CD PRO A 17 5.589 -23.861 15.547 1.00 0.00 C ATOM 0 HA PRO A 17 8.525 -25.156 16.117 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.810 -25.263 18.299 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.449 -23.731 17.737 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.763 -24.978 17.187 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.143 -23.313 17.577 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.669 -24.105 15.016 1.00 0.00 H new ATOM 0 HD3 PRO A 17 5.782 -22.801 15.379 1.00 0.00 H new ATOM 191 N PHE A 18 8.342 -27.544 16.266 1.00 0.00 N ATOM 192 CA PHE A 18 8.283 -28.999 16.345 1.00 0.00 C ATOM 193 C PHE A 18 8.434 -29.472 17.788 1.00 0.00 C ATOM 194 O PHE A 18 8.962 -28.766 18.647 1.00 0.00 O ATOM 195 CB PHE A 18 9.375 -29.623 15.474 1.00 0.00 C ATOM 196 CG PHE A 18 9.203 -29.347 14.008 1.00 0.00 C ATOM 197 CD1 PHE A 18 9.664 -28.164 13.454 1.00 0.00 C ATOM 198 CD2 PHE A 18 8.581 -30.271 13.184 1.00 0.00 C ATOM 199 CE1 PHE A 18 9.506 -27.907 12.105 1.00 0.00 C ATOM 200 CE2 PHE A 18 8.421 -30.020 11.834 1.00 0.00 C ATOM 201 CZ PHE A 18 8.885 -28.837 11.294 1.00 0.00 C ATOM 0 H PHE A 18 9.285 -27.165 16.176 1.00 0.00 H new ATOM 0 HA PHE A 18 7.308 -29.319 15.977 1.00 0.00 H new ATOM 0 HB2 PHE A 18 10.345 -29.245 15.795 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.384 -30.701 15.634 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.152 -27.434 14.083 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.217 -31.198 13.601 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.868 -26.980 11.685 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.934 -30.748 11.203 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.763 -28.639 10.239 1.00 0.00 H new ATOM 211 N PRO A 19 7.960 -30.696 18.061 1.00 0.00 N ATOM 212 CA PRO A 19 8.031 -31.292 19.399 1.00 0.00 C ATOM 213 C PRO A 19 9.459 -31.649 19.800 1.00 0.00 C ATOM 214 O PRO A 19 10.421 -31.146 19.219 1.00 0.00 O ATOM 215 CB PRO A 19 7.180 -32.558 19.269 1.00 0.00 C ATOM 216 CG PRO A 19 7.234 -32.903 17.821 1.00 0.00 C ATOM 217 CD PRO A 19 7.319 -31.594 17.086 1.00 0.00 C ATOM 0 HA PRO A 19 7.683 -30.605 20.170 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.576 -33.366 19.884 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.155 -32.382 19.596 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.098 -33.531 17.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 6.348 -33.463 17.520 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.909 -31.683 16.174 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.333 -31.232 16.794 1.00 0.00 H new ATOM 225 N LEU A 20 9.589 -32.519 20.795 1.00 0.00 N ATOM 226 CA LEU A 20 10.900 -32.943 21.274 1.00 0.00 C ATOM 227 C LEU A 20 11.763 -33.448 20.122 1.00 0.00 C ATOM 228 O LEU A 20 12.988 -33.498 20.226 1.00 0.00 O ATOM 229 CB LEU A 20 10.749 -34.038 22.331 1.00 0.00 C ATOM 230 CG LEU A 20 9.929 -35.261 21.918 1.00 0.00 C ATOM 231 CD1 LEU A 20 10.831 -36.335 21.329 1.00 0.00 C ATOM 232 CD2 LEU A 20 9.152 -35.808 23.107 1.00 0.00 C ATOM 0 H LEU A 20 8.803 -32.945 21.286 1.00 0.00 H new ATOM 0 HA LEU A 20 11.393 -32.080 21.722 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.744 -34.374 22.622 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.289 -33.599 23.217 1.00 0.00 H new ATOM 0 HG LEU A 20 9.216 -34.955 21.153 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.230 -37.197 21.041 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.342 -35.940 20.451 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.568 -36.639 22.072 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.574 -36.678 22.795 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.848 -36.098 23.894 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.477 -35.040 23.485 1.00 0.00 H new ATOM 244 N ASP A 21 11.115 -33.820 19.023 1.00 0.00 N ATOM 245 CA ASP A 21 11.823 -34.318 17.849 1.00 0.00 C ATOM 246 C ASP A 21 12.206 -33.172 16.919 1.00 0.00 C ATOM 247 O ASP A 21 12.400 -33.371 15.719 1.00 0.00 O ATOM 248 CB ASP A 21 10.959 -35.334 17.099 1.00 0.00 C ATOM 249 CG ASP A 21 11.046 -36.723 17.700 1.00 0.00 C ATOM 250 OD1 ASP A 21 12.122 -37.076 18.227 1.00 0.00 O ATOM 251 OD2 ASP A 21 10.037 -37.457 17.644 1.00 0.00 O ATOM 0 H ASP A 21 10.101 -33.786 18.921 1.00 0.00 H new ATOM 0 HA ASP A 21 12.736 -34.808 18.186 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.921 -35.001 17.109 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.272 -35.372 16.056 1.00 0.00 H new ATOM 256 N VAL A 22 12.313 -31.972 17.480 1.00 0.00 N ATOM 257 CA VAL A 22 12.673 -30.793 16.701 1.00 0.00 C ATOM 258 C VAL A 22 14.168 -30.767 16.402 1.00 0.00 C ATOM 259 O VAL A 22 14.958 -30.245 17.188 1.00 0.00 O ATOM 260 CB VAL A 22 12.285 -29.495 17.434 1.00 0.00 C ATOM 261 CG1 VAL A 22 12.843 -29.493 18.848 1.00 0.00 C ATOM 262 CG2 VAL A 22 12.770 -28.280 16.658 1.00 0.00 C ATOM 0 H VAL A 22 12.156 -31.790 18.471 1.00 0.00 H new ATOM 0 HA VAL A 22 12.119 -30.852 15.764 1.00 0.00 H new ATOM 0 HB VAL A 22 11.198 -29.446 17.499 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.559 -28.568 19.350 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.441 -30.343 19.399 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.930 -29.566 18.810 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.487 -27.372 17.190 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.855 -28.320 16.560 1.00 0.00 H new ATOM 0 HG23 VAL A 22 12.316 -28.276 15.667 1.00 0.00 H new ATOM 272 N GLN A 23 14.548 -31.334 15.262 1.00 0.00 N ATOM 273 CA GLN A 23 15.949 -31.376 14.860 1.00 0.00 C ATOM 274 C GLN A 23 16.083 -31.293 13.343 1.00 0.00 C ATOM 275 O GLN A 23 15.095 -31.399 12.617 1.00 0.00 O ATOM 276 CB GLN A 23 16.611 -32.656 15.373 1.00 0.00 C ATOM 277 CG GLN A 23 15.935 -33.927 14.886 1.00 0.00 C ATOM 278 CD GLN A 23 16.414 -35.162 15.624 1.00 0.00 C ATOM 279 OE1 GLN A 23 16.811 -36.152 15.008 1.00 0.00 O ATOM 280 NE2 GLN A 23 16.380 -35.110 16.950 1.00 0.00 N ATOM 0 H GLN A 23 13.906 -31.771 14.601 1.00 0.00 H new ATOM 0 HA GLN A 23 16.452 -30.514 15.299 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.655 -32.666 15.059 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.606 -32.646 16.463 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.856 -33.830 15.009 1.00 0.00 H new ATOM 0 HG3 GLN A 23 16.125 -34.049 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.043 -34.269 17.419 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.691 -35.911 17.500 1.00 0.00 H new ATOM 289 N GLU A 24 17.311 -31.103 12.871 1.00 0.00 N ATOM 290 CA GLU A 24 17.573 -31.006 11.440 1.00 0.00 C ATOM 291 C GLU A 24 17.325 -32.343 10.749 1.00 0.00 C ATOM 292 O GLU A 24 17.094 -32.397 9.541 1.00 0.00 O ATOM 293 CB GLU A 24 19.012 -30.550 11.192 1.00 0.00 C ATOM 294 CG GLU A 24 20.056 -31.552 11.654 1.00 0.00 C ATOM 295 CD GLU A 24 21.449 -31.215 11.158 1.00 0.00 C ATOM 296 OE1 GLU A 24 21.749 -30.013 11.002 1.00 0.00 O ATOM 297 OE2 GLU A 24 22.239 -32.154 10.925 1.00 0.00 O ATOM 0 H GLU A 24 18.140 -31.013 13.459 1.00 0.00 H new ATOM 0 HA GLU A 24 16.889 -30.268 11.021 1.00 0.00 H new ATOM 0 HB2 GLU A 24 19.146 -30.363 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 24 19.178 -29.603 11.705 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.061 -31.589 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 19.780 -32.546 11.303 1.00 0.00 H new ATOM 304 N SER A 25 17.377 -33.422 11.525 1.00 0.00 N ATOM 305 CA SER A 25 17.163 -34.760 10.987 1.00 0.00 C ATOM 306 C SER A 25 15.848 -34.833 10.216 1.00 0.00 C ATOM 307 O SER A 25 15.808 -35.307 9.082 1.00 0.00 O ATOM 308 CB SER A 25 17.162 -35.792 12.117 1.00 0.00 C ATOM 309 OG SER A 25 17.338 -37.104 11.610 1.00 0.00 O ATOM 0 H SER A 25 17.565 -33.395 12.527 1.00 0.00 H new ATOM 0 HA SER A 25 17.979 -34.983 10.300 1.00 0.00 H new ATOM 0 HB2 SER A 25 17.959 -35.562 12.824 1.00 0.00 H new ATOM 0 HB3 SER A 25 16.222 -35.734 12.666 1.00 0.00 H new ATOM 0 HG SER A 25 17.335 -37.744 12.352 1.00 0.00 H new ATOM 315 N GLU A 26 14.776 -34.358 10.842 1.00 0.00 N ATOM 316 CA GLU A 26 13.459 -34.369 10.215 1.00 0.00 C ATOM 317 C GLU A 26 13.386 -33.348 9.084 1.00 0.00 C ATOM 318 O GLU A 26 12.753 -33.588 8.055 1.00 0.00 O ATOM 319 CB GLU A 26 12.373 -34.076 11.252 1.00 0.00 C ATOM 320 CG GLU A 26 12.673 -32.867 12.123 1.00 0.00 C ATOM 321 CD GLU A 26 11.417 -32.204 12.653 1.00 0.00 C ATOM 322 OE1 GLU A 26 10.450 -32.060 11.876 1.00 0.00 O ATOM 323 OE2 GLU A 26 11.402 -31.828 13.843 1.00 0.00 O ATOM 0 H GLU A 26 14.793 -33.961 11.782 1.00 0.00 H new ATOM 0 HA GLU A 26 13.293 -35.362 9.796 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.425 -33.917 10.738 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.246 -34.951 11.890 1.00 0.00 H new ATOM 0 HG2 GLU A 26 13.299 -33.174 12.961 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.247 -32.142 11.546 1.00 0.00 H new ATOM 330 N LEU A 27 14.038 -32.208 9.281 1.00 0.00 N ATOM 331 CA LEU A 27 14.048 -31.148 8.279 1.00 0.00 C ATOM 332 C LEU A 27 14.673 -31.637 6.976 1.00 0.00 C ATOM 333 O LEU A 27 14.187 -31.328 5.889 1.00 0.00 O ATOM 334 CB LEU A 27 14.815 -29.932 8.801 1.00 0.00 C ATOM 335 CG LEU A 27 14.279 -29.302 10.087 1.00 0.00 C ATOM 336 CD1 LEU A 27 14.599 -27.815 10.127 1.00 0.00 C ATOM 337 CD2 LEU A 27 12.779 -29.530 10.207 1.00 0.00 C ATOM 0 H LEU A 27 14.567 -31.994 10.126 1.00 0.00 H new ATOM 0 HA LEU A 27 13.016 -30.860 8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.851 -30.226 8.968 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.822 -29.170 8.022 1.00 0.00 H new ATOM 0 HG LEU A 27 14.768 -29.781 10.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.210 -27.384 11.049 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.679 -27.674 10.088 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.138 -27.320 9.272 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.414 -29.075 11.128 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.273 -29.078 9.354 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.574 -30.600 10.225 1.00 0.00 H new ATOM 349 N ASN A 28 15.753 -32.402 7.095 1.00 0.00 N ATOM 350 CA ASN A 28 16.444 -32.935 5.926 1.00 0.00 C ATOM 351 C ASN A 28 15.669 -34.101 5.321 1.00 0.00 C ATOM 352 O ASN A 28 15.602 -34.247 4.101 1.00 0.00 O ATOM 353 CB ASN A 28 17.856 -33.389 6.306 1.00 0.00 C ATOM 354 CG ASN A 28 18.867 -32.262 6.223 1.00 0.00 C ATOM 355 OD1 ASN A 28 19.588 -32.132 5.233 1.00 0.00 O ATOM 356 ND2 ASN A 28 18.925 -31.441 7.265 1.00 0.00 N ATOM 0 H ASN A 28 16.169 -32.667 7.988 1.00 0.00 H new ATOM 0 HA ASN A 28 16.512 -32.142 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 28 17.845 -33.790 7.319 1.00 0.00 H new ATOM 0 HB3 ASN A 28 18.164 -34.200 5.646 1.00 0.00 H new ATOM 0 HD21 ASN A 28 19.586 -30.665 7.266 1.00 0.00 H new ATOM 0 HD22 ASN A 28 18.308 -31.587 8.064 1.00 0.00 H new ATOM 363 N GLU A 29 15.085 -34.928 6.183 1.00 0.00 N ATOM 364 CA GLU A 29 14.314 -36.081 5.732 1.00 0.00 C ATOM 365 C GLU A 29 12.985 -35.642 5.124 1.00 0.00 C ATOM 366 O GLU A 29 12.352 -36.394 4.381 1.00 0.00 O ATOM 367 CB GLU A 29 14.063 -37.041 6.896 1.00 0.00 C ATOM 368 CG GLU A 29 15.326 -37.699 7.425 1.00 0.00 C ATOM 369 CD GLU A 29 15.681 -38.969 6.676 1.00 0.00 C ATOM 370 OE1 GLU A 29 15.937 -38.887 5.456 1.00 0.00 O ATOM 371 OE2 GLU A 29 15.702 -40.045 7.310 1.00 0.00 O ATOM 0 H GLU A 29 15.131 -34.821 7.196 1.00 0.00 H new ATOM 0 HA GLU A 29 14.892 -36.596 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.580 -36.497 7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.367 -37.816 6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.155 -36.995 7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 29 15.195 -37.930 8.482 1.00 0.00 H new ATOM 378 N ILE A 30 12.567 -34.423 5.446 1.00 0.00 N ATOM 379 CA ILE A 30 11.314 -33.884 4.931 1.00 0.00 C ATOM 380 C ILE A 30 11.559 -32.964 3.740 1.00 0.00 C ATOM 381 O ILE A 30 10.985 -33.154 2.667 1.00 0.00 O ATOM 382 CB ILE A 30 10.548 -33.106 6.018 1.00 0.00 C ATOM 383 CG1 ILE A 30 10.089 -34.055 7.127 1.00 0.00 C ATOM 384 CG2 ILE A 30 9.358 -32.379 5.409 1.00 0.00 C ATOM 385 CD1 ILE A 30 9.774 -33.353 8.429 1.00 0.00 C ATOM 0 H ILE A 30 13.077 -33.789 6.061 1.00 0.00 H new ATOM 0 HA ILE A 30 10.712 -34.735 4.611 1.00 0.00 H new ATOM 0 HB ILE A 30 11.218 -32.365 6.454 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.203 -34.593 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.866 -34.799 7.303 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.827 -31.834 6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.709 -31.678 4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.685 -33.103 4.950 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.455 -34.086 9.170 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.664 -32.837 8.789 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.975 -32.629 8.268 1.00 0.00 H new ATOM 397 N PHE A 31 12.416 -31.968 3.935 1.00 0.00 N ATOM 398 CA PHE A 31 12.738 -31.018 2.876 1.00 0.00 C ATOM 399 C PHE A 31 13.819 -31.577 1.955 1.00 0.00 C ATOM 400 O PHE A 31 14.222 -30.930 0.990 1.00 0.00 O ATOM 401 CB PHE A 31 13.202 -29.690 3.477 1.00 0.00 C ATOM 402 CG PHE A 31 12.125 -28.966 4.235 1.00 0.00 C ATOM 403 CD1 PHE A 31 11.678 -29.445 5.456 1.00 0.00 C ATOM 404 CD2 PHE A 31 11.561 -27.808 3.726 1.00 0.00 C ATOM 405 CE1 PHE A 31 10.687 -28.781 6.154 1.00 0.00 C ATOM 406 CE2 PHE A 31 10.570 -27.140 4.420 1.00 0.00 C ATOM 407 CZ PHE A 31 10.133 -27.627 5.636 1.00 0.00 C ATOM 0 H PHE A 31 12.900 -31.797 4.816 1.00 0.00 H new ATOM 0 HA PHE A 31 11.836 -30.848 2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 31 14.043 -29.877 4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.568 -29.046 2.677 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.108 -30.346 5.866 1.00 0.00 H new ATOM 0 HD2 PHE A 31 11.900 -27.423 2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.346 -29.165 7.104 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.138 -26.238 4.012 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.359 -27.106 6.181 1.00 0.00 H new ATOM 417 N GLY A 32 14.283 -32.785 2.261 1.00 0.00 N ATOM 418 CA GLY A 32 15.312 -33.411 1.452 1.00 0.00 C ATOM 419 C GLY A 32 14.931 -33.489 -0.013 1.00 0.00 C ATOM 420 O GLY A 32 15.614 -32.949 -0.884 1.00 0.00 O ATOM 0 H GLY A 32 13.964 -33.341 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.241 -32.850 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.504 -34.416 1.828 1.00 0.00 H new ATOM 424 N PRO A 33 13.816 -34.176 -0.303 1.00 0.00 N ATOM 425 CA PRO A 33 13.320 -34.340 -1.673 1.00 0.00 C ATOM 426 C PRO A 33 12.786 -33.036 -2.256 1.00 0.00 C ATOM 427 O PRO A 33 11.614 -32.942 -2.621 1.00 0.00 O ATOM 428 CB PRO A 33 12.190 -35.361 -1.521 1.00 0.00 C ATOM 429 CG PRO A 33 11.731 -35.211 -0.112 1.00 0.00 C ATOM 430 CD PRO A 33 12.953 -34.845 0.685 1.00 0.00 C ATOM 0 HA PRO A 33 14.108 -34.655 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.381 -35.164 -2.224 1.00 0.00 H new ATOM 0 HB3 PRO A 33 12.542 -36.374 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.966 -34.438 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.289 -36.137 0.255 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.708 -34.185 1.517 1.00 0.00 H new ATOM 0 HD3 PRO A 33 13.435 -35.726 1.109 1.00 0.00 H new ATOM 438 N PHE A 34 13.653 -32.032 -2.341 1.00 0.00 N ATOM 439 CA PHE A 34 13.267 -30.733 -2.879 1.00 0.00 C ATOM 440 C PHE A 34 14.460 -30.038 -3.529 1.00 0.00 C ATOM 441 O PHE A 34 14.340 -29.445 -4.600 1.00 0.00 O ATOM 442 CB PHE A 34 12.689 -29.849 -1.772 1.00 0.00 C ATOM 443 CG PHE A 34 11.261 -30.170 -1.435 1.00 0.00 C ATOM 444 CD1 PHE A 34 10.332 -30.398 -2.437 1.00 0.00 C ATOM 445 CD2 PHE A 34 10.847 -30.241 -0.114 1.00 0.00 C ATOM 446 CE1 PHE A 34 9.017 -30.693 -2.130 1.00 0.00 C ATOM 447 CE2 PHE A 34 9.533 -30.537 0.199 1.00 0.00 C ATOM 448 CZ PHE A 34 8.617 -30.761 -0.810 1.00 0.00 C ATOM 0 H PHE A 34 14.627 -32.093 -2.044 1.00 0.00 H new ATOM 0 HA PHE A 34 12.504 -30.895 -3.640 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.299 -29.957 -0.875 1.00 0.00 H new ATOM 0 HB3 PHE A 34 12.756 -28.805 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 34 10.639 -30.345 -3.471 1.00 0.00 H new ATOM 0 HD2 PHE A 34 11.558 -30.063 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.303 -30.870 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 34 9.223 -30.593 1.232 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.590 -30.989 -0.567 1.00 0.00 H new ATOM 458 N GLY A 35 15.613 -30.115 -2.871 1.00 0.00 N ATOM 459 CA GLY A 35 16.812 -29.489 -3.398 1.00 0.00 C ATOM 460 C GLY A 35 17.918 -29.395 -2.367 1.00 0.00 C ATOM 461 O GLY A 35 17.743 -29.755 -1.202 1.00 0.00 O ATOM 0 H GLY A 35 15.738 -30.600 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.168 -30.058 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.568 -28.489 -3.757 1.00 0.00 H new ATOM 465 N PRO A 36 19.091 -28.903 -2.794 1.00 0.00 N ATOM 466 CA PRO A 36 20.254 -28.753 -1.914 1.00 0.00 C ATOM 467 C PRO A 36 20.058 -27.653 -0.877 1.00 0.00 C ATOM 468 O PRO A 36 20.311 -26.479 -1.149 1.00 0.00 O ATOM 469 CB PRO A 36 21.383 -28.383 -2.880 1.00 0.00 C ATOM 470 CG PRO A 36 20.696 -27.756 -4.043 1.00 0.00 C ATOM 471 CD PRO A 36 19.371 -28.455 -4.168 1.00 0.00 C ATOM 0 HA PRO A 36 20.448 -29.657 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 36 22.089 -27.693 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.950 -29.264 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 36 20.559 -26.686 -3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 36 21.285 -27.871 -4.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 18.596 -27.784 -4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 36 19.423 -29.294 -4.862 1.00 0.00 H new ATOM 479 N MET A 37 19.608 -28.040 0.312 1.00 0.00 N ATOM 480 CA MET A 37 19.380 -27.085 1.390 1.00 0.00 C ATOM 481 C MET A 37 20.680 -26.391 1.786 1.00 0.00 C ATOM 482 O MET A 37 21.572 -27.008 2.369 1.00 0.00 O ATOM 483 CB MET A 37 18.774 -27.790 2.605 1.00 0.00 C ATOM 484 CG MET A 37 17.521 -28.588 2.283 1.00 0.00 C ATOM 485 SD MET A 37 17.173 -29.860 3.512 1.00 0.00 S ATOM 486 CE MET A 37 18.156 -31.218 2.882 1.00 0.00 C ATOM 0 H MET A 37 19.394 -29.008 0.553 1.00 0.00 H new ATOM 0 HA MET A 37 18.681 -26.330 1.031 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.519 -28.458 3.036 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.536 -27.046 3.365 1.00 0.00 H new ATOM 0 HG2 MET A 37 16.670 -27.910 2.217 1.00 0.00 H new ATOM 0 HG3 MET A 37 17.634 -29.055 1.304 1.00 0.00 H new ATOM 0 HE1 MET A 37 17.860 -32.142 3.379 1.00 0.00 H new ATOM 0 HE2 MET A 37 17.996 -31.316 1.808 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.211 -31.024 3.075 1.00 0.00 H new ATOM 496 N LYS A 38 20.781 -25.106 1.464 1.00 0.00 N ATOM 497 CA LYS A 38 21.971 -24.328 1.787 1.00 0.00 C ATOM 498 C LYS A 38 22.225 -24.320 3.290 1.00 0.00 C ATOM 499 O LYS A 38 23.373 -24.317 3.734 1.00 0.00 O ATOM 500 CB LYS A 38 21.820 -22.892 1.277 1.00 0.00 C ATOM 501 CG LYS A 38 22.944 -21.970 1.716 1.00 0.00 C ATOM 502 CD LYS A 38 24.280 -22.405 1.138 1.00 0.00 C ATOM 503 CE LYS A 38 24.391 -22.052 -0.337 1.00 0.00 C ATOM 504 NZ LYS A 38 25.748 -22.345 -0.877 1.00 0.00 N ATOM 0 H LYS A 38 20.053 -24.581 0.979 1.00 0.00 H new ATOM 0 HA LYS A 38 22.824 -24.795 1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 38 21.776 -22.905 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 38 20.871 -22.488 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 38 22.724 -20.950 1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.003 -21.960 2.804 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.089 -21.926 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 38 24.400 -23.481 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 38 23.646 -22.613 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 38 24.166 -20.995 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 25.945 -21.715 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.458 -22.191 -0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 25.789 -23.334 -1.195 1.00 0.00 H new ATOM 518 N GLU A 39 21.148 -24.320 4.069 1.00 0.00 N ATOM 519 CA GLU A 39 21.256 -24.313 5.523 1.00 0.00 C ATOM 520 C GLU A 39 19.913 -24.639 6.170 1.00 0.00 C ATOM 521 O GLU A 39 18.865 -24.553 5.530 1.00 0.00 O ATOM 522 CB GLU A 39 21.754 -22.952 6.014 1.00 0.00 C ATOM 523 CG GLU A 39 22.716 -23.043 7.187 1.00 0.00 C ATOM 524 CD GLU A 39 23.932 -23.894 6.880 1.00 0.00 C ATOM 525 OE1 GLU A 39 24.889 -23.364 6.276 1.00 0.00 O ATOM 526 OE2 GLU A 39 23.929 -25.089 7.243 1.00 0.00 O ATOM 0 H GLU A 39 20.191 -24.325 3.717 1.00 0.00 H new ATOM 0 HA GLU A 39 21.975 -25.080 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 39 22.247 -22.436 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 39 20.897 -22.344 6.304 1.00 0.00 H new ATOM 0 HG2 GLU A 39 23.040 -22.040 7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 39 22.194 -23.459 8.049 1.00 0.00 H new ATOM 533 N VAL A 40 19.953 -25.015 7.445 1.00 0.00 N ATOM 534 CA VAL A 40 18.740 -25.353 8.180 1.00 0.00 C ATOM 535 C VAL A 40 18.871 -24.986 9.654 1.00 0.00 C ATOM 536 O VAL A 40 19.831 -25.374 10.319 1.00 0.00 O ATOM 537 CB VAL A 40 18.414 -26.854 8.063 1.00 0.00 C ATOM 538 CG1 VAL A 40 17.738 -27.152 6.733 1.00 0.00 C ATOM 539 CG2 VAL A 40 19.675 -27.688 8.228 1.00 0.00 C ATOM 0 H VAL A 40 20.812 -25.093 7.990 1.00 0.00 H new ATOM 0 HA VAL A 40 17.929 -24.776 7.736 1.00 0.00 H new ATOM 0 HB VAL A 40 17.723 -27.121 8.862 1.00 0.00 H new ATOM 0 HG11 VAL A 40 17.515 -28.217 6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 40 16.811 -26.583 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 40 18.402 -26.870 5.916 1.00 0.00 H new ATOM 0 HG21 VAL A 40 19.426 -28.746 8.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 20.392 -27.420 7.452 1.00 0.00 H new ATOM 0 HG23 VAL A 40 20.112 -27.497 9.208 1.00 0.00 H new ATOM 549 N LYS A 41 17.897 -24.236 10.159 1.00 0.00 N ATOM 550 CA LYS A 41 17.901 -23.817 11.556 1.00 0.00 C ATOM 551 C LYS A 41 16.702 -24.396 12.301 1.00 0.00 C ATOM 552 O LYS A 41 15.580 -24.383 11.794 1.00 0.00 O ATOM 553 CB LYS A 41 17.885 -22.290 11.651 1.00 0.00 C ATOM 554 CG LYS A 41 18.656 -21.603 10.537 1.00 0.00 C ATOM 555 CD LYS A 41 20.121 -22.007 10.542 1.00 0.00 C ATOM 556 CE LYS A 41 20.856 -21.424 11.739 1.00 0.00 C ATOM 557 NZ LYS A 41 21.874 -22.367 12.278 1.00 0.00 N ATOM 0 H LYS A 41 17.095 -23.906 9.622 1.00 0.00 H new ATOM 0 HA LYS A 41 18.812 -24.195 12.021 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.852 -21.944 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.305 -21.990 12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 41 18.211 -21.857 9.575 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.575 -20.522 10.650 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.200 -23.094 10.560 1.00 0.00 H new ATOM 0 HD3 LYS A 41 20.596 -21.668 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 41 21.342 -20.493 11.448 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.138 -21.178 12.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 22.353 -21.933 13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.408 -23.246 12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 22.574 -22.582 11.539 1.00 0.00 H new ATOM 571 N ILE A 42 16.947 -24.901 13.505 1.00 0.00 N ATOM 572 CA ILE A 42 15.886 -25.481 14.319 1.00 0.00 C ATOM 573 C ILE A 42 15.949 -24.965 15.753 1.00 0.00 C ATOM 574 O ILE A 42 16.864 -25.302 16.506 1.00 0.00 O ATOM 575 CB ILE A 42 15.966 -27.019 14.335 1.00 0.00 C ATOM 576 CG1 ILE A 42 17.393 -27.480 14.030 1.00 0.00 C ATOM 577 CG2 ILE A 42 14.987 -27.611 13.333 1.00 0.00 C ATOM 578 CD1 ILE A 42 17.681 -27.617 12.551 1.00 0.00 C ATOM 0 H ILE A 42 17.870 -24.920 13.938 1.00 0.00 H new ATOM 0 HA ILE A 42 14.941 -25.179 13.868 1.00 0.00 H new ATOM 0 HB ILE A 42 15.695 -27.372 15.330 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.096 -26.770 14.465 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.568 -28.440 14.516 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.056 -28.699 13.356 1.00 0.00 H new ATOM 0 HG22 ILE A 42 13.973 -27.306 13.591 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.230 -27.254 12.332 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.710 -27.947 12.410 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.002 -28.349 12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 42 17.539 -26.653 12.062 1.00 0.00 H new ATOM 590 N LEU A 43 14.971 -24.148 16.125 1.00 0.00 N ATOM 591 CA LEU A 43 14.913 -23.586 17.470 1.00 0.00 C ATOM 592 C LEU A 43 13.584 -23.918 18.142 1.00 0.00 C ATOM 593 O LEU A 43 12.539 -23.942 17.495 1.00 0.00 O ATOM 594 CB LEU A 43 15.107 -22.070 17.420 1.00 0.00 C ATOM 595 CG LEU A 43 16.268 -21.570 16.558 1.00 0.00 C ATOM 596 CD1 LEU A 43 15.984 -20.168 16.042 1.00 0.00 C ATOM 597 CD2 LEU A 43 17.568 -21.596 17.348 1.00 0.00 C ATOM 0 H LEU A 43 14.207 -23.859 15.514 1.00 0.00 H new ATOM 0 HA LEU A 43 15.717 -24.030 18.057 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.186 -21.618 17.052 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.254 -21.709 18.438 1.00 0.00 H new ATOM 0 HG LEU A 43 16.373 -22.236 15.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 16.820 -19.829 15.431 1.00 0.00 H new ATOM 0 HD12 LEU A 43 15.076 -20.179 15.440 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.852 -19.490 16.885 1.00 0.00 H new ATOM 0 HD21 LEU A 43 18.383 -21.237 16.719 1.00 0.00 H new ATOM 0 HD22 LEU A 43 17.475 -20.953 18.223 1.00 0.00 H new ATOM 0 HD23 LEU A 43 17.779 -22.616 17.668 1.00 0.00 H new ATOM 609 N ASN A 44 13.634 -24.171 19.446 1.00 0.00 N ATOM 610 CA ASN A 44 12.434 -24.500 20.207 1.00 0.00 C ATOM 611 C ASN A 44 11.405 -23.377 20.112 1.00 0.00 C ATOM 612 O ASN A 44 11.449 -22.415 20.877 1.00 0.00 O ATOM 613 CB ASN A 44 12.789 -24.759 21.672 1.00 0.00 C ATOM 614 CG ASN A 44 11.905 -25.818 22.303 1.00 0.00 C ATOM 615 OD1 ASN A 44 10.996 -25.506 23.072 1.00 0.00 O ATOM 616 ND2 ASN A 44 12.168 -27.079 21.978 1.00 0.00 N ATOM 0 H ASN A 44 14.492 -24.155 19.997 1.00 0.00 H new ATOM 0 HA ASN A 44 12.000 -25.404 19.780 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.831 -25.071 21.741 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.697 -23.830 22.235 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.606 -27.835 22.370 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.932 -27.292 21.336 1.00 0.00 H new ATOM 623 N GLY A 45 10.478 -23.509 19.167 1.00 0.00 N ATOM 624 CA GLY A 45 9.451 -22.499 18.990 1.00 0.00 C ATOM 625 C GLY A 45 9.236 -22.141 17.533 1.00 0.00 C ATOM 626 O GLY A 45 8.175 -21.641 17.159 1.00 0.00 O ATOM 0 H GLY A 45 10.420 -24.297 18.522 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.514 -22.860 19.415 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.728 -21.602 19.544 1.00 0.00 H new ATOM 630 N PHE A 46 10.246 -22.396 16.707 1.00 0.00 N ATOM 631 CA PHE A 46 10.163 -22.094 15.283 1.00 0.00 C ATOM 632 C PHE A 46 11.300 -22.766 14.518 1.00 0.00 C ATOM 633 O PHE A 46 12.368 -23.022 15.072 1.00 0.00 O ATOM 634 CB PHE A 46 10.205 -20.581 15.057 1.00 0.00 C ATOM 635 CG PHE A 46 10.872 -19.827 16.171 1.00 0.00 C ATOM 636 CD1 PHE A 46 12.193 -20.079 16.503 1.00 0.00 C ATOM 637 CD2 PHE A 46 10.177 -18.865 16.887 1.00 0.00 C ATOM 638 CE1 PHE A 46 12.809 -19.387 17.528 1.00 0.00 C ATOM 639 CE2 PHE A 46 10.788 -18.169 17.913 1.00 0.00 C ATOM 640 CZ PHE A 46 12.106 -18.430 18.234 1.00 0.00 C ATOM 0 H PHE A 46 11.131 -22.811 16.999 1.00 0.00 H new ATOM 0 HA PHE A 46 9.216 -22.484 14.909 1.00 0.00 H new ATOM 0 HB2 PHE A 46 10.730 -20.375 14.124 1.00 0.00 H new ATOM 0 HB3 PHE A 46 9.187 -20.211 14.937 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.748 -20.825 15.954 1.00 0.00 H new ATOM 0 HD2 PHE A 46 9.146 -18.657 16.640 1.00 0.00 H new ATOM 0 HE1 PHE A 46 13.839 -19.594 17.777 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.235 -17.422 18.463 1.00 0.00 H new ATOM 0 HZ PHE A 46 12.586 -17.887 19.035 1.00 0.00 H new ATOM 650 N ALA A 47 11.060 -23.048 13.242 1.00 0.00 N ATOM 651 CA ALA A 47 12.063 -23.688 12.400 1.00 0.00 C ATOM 652 C ALA A 47 12.329 -22.867 11.142 1.00 0.00 C ATOM 653 O ALA A 47 11.473 -22.105 10.694 1.00 0.00 O ATOM 654 CB ALA A 47 11.621 -25.096 12.030 1.00 0.00 C ATOM 0 H ALA A 47 10.180 -22.843 12.769 1.00 0.00 H new ATOM 0 HA ALA A 47 12.992 -23.748 12.966 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.380 -25.562 11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.489 -25.686 12.937 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.677 -25.050 11.487 1.00 0.00 H new ATOM 660 N PHE A 48 13.521 -23.028 10.577 1.00 0.00 N ATOM 661 CA PHE A 48 13.901 -22.301 9.372 1.00 0.00 C ATOM 662 C PHE A 48 14.698 -23.194 8.426 1.00 0.00 C ATOM 663 O PHE A 48 15.502 -24.018 8.862 1.00 0.00 O ATOM 664 CB PHE A 48 14.721 -21.062 9.735 1.00 0.00 C ATOM 665 CG PHE A 48 14.074 -20.200 10.781 1.00 0.00 C ATOM 666 CD1 PHE A 48 12.978 -19.412 10.468 1.00 0.00 C ATOM 667 CD2 PHE A 48 14.562 -20.178 12.078 1.00 0.00 C ATOM 668 CE1 PHE A 48 12.382 -18.617 11.428 1.00 0.00 C ATOM 669 CE2 PHE A 48 13.969 -19.385 13.043 1.00 0.00 C ATOM 670 CZ PHE A 48 12.877 -18.605 12.718 1.00 0.00 C ATOM 0 H PHE A 48 14.241 -23.656 10.935 1.00 0.00 H new ATOM 0 HA PHE A 48 12.989 -21.988 8.864 1.00 0.00 H new ATOM 0 HB2 PHE A 48 15.702 -21.377 10.091 1.00 0.00 H new ATOM 0 HB3 PHE A 48 14.884 -20.468 8.836 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.585 -19.419 9.462 1.00 0.00 H new ATOM 0 HD2 PHE A 48 15.415 -20.787 12.338 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.530 -18.005 11.170 1.00 0.00 H new ATOM 0 HE2 PHE A 48 14.360 -19.376 14.050 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.411 -17.987 13.471 1.00 0.00 H new ATOM 680 N VAL A 49 14.470 -23.024 7.128 1.00 0.00 N ATOM 681 CA VAL A 49 15.166 -23.813 6.119 1.00 0.00 C ATOM 682 C VAL A 49 15.539 -22.958 4.913 1.00 0.00 C ATOM 683 O VAL A 49 14.669 -22.499 4.174 1.00 0.00 O ATOM 684 CB VAL A 49 14.309 -25.002 5.646 1.00 0.00 C ATOM 685 CG1 VAL A 49 15.045 -25.800 4.580 1.00 0.00 C ATOM 686 CG2 VAL A 49 13.934 -25.890 6.823 1.00 0.00 C ATOM 0 H VAL A 49 13.808 -22.346 6.750 1.00 0.00 H new ATOM 0 HA VAL A 49 16.075 -24.193 6.586 1.00 0.00 H new ATOM 0 HB VAL A 49 13.391 -24.613 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 49 14.424 -26.636 4.258 1.00 0.00 H new ATOM 0 HG12 VAL A 49 15.259 -25.157 3.726 1.00 0.00 H new ATOM 0 HG13 VAL A 49 15.980 -26.180 4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 49 13.329 -26.725 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 49 14.840 -26.272 7.294 1.00 0.00 H new ATOM 0 HG23 VAL A 49 13.364 -25.310 7.549 1.00 0.00 H new ATOM 696 N GLU A 50 16.838 -22.749 4.721 1.00 0.00 N ATOM 697 CA GLU A 50 17.325 -21.949 3.604 1.00 0.00 C ATOM 698 C GLU A 50 17.836 -22.841 2.476 1.00 0.00 C ATOM 699 O GLU A 50 18.870 -23.497 2.608 1.00 0.00 O ATOM 700 CB GLU A 50 18.439 -21.008 4.069 1.00 0.00 C ATOM 701 CG GLU A 50 19.058 -20.195 2.945 1.00 0.00 C ATOM 702 CD GLU A 50 19.814 -18.982 3.451 1.00 0.00 C ATOM 703 OE1 GLU A 50 19.167 -17.944 3.705 1.00 0.00 O ATOM 704 OE2 GLU A 50 21.051 -19.069 3.592 1.00 0.00 O ATOM 0 H GLU A 50 17.571 -23.122 5.324 1.00 0.00 H new ATOM 0 HA GLU A 50 16.492 -21.356 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 50 18.038 -20.327 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 50 19.219 -21.594 4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.736 -20.829 2.374 1.00 0.00 H new ATOM 0 HG3 GLU A 50 18.273 -19.870 2.262 1.00 0.00 H new ATOM 711 N PHE A 51 17.103 -22.862 1.368 1.00 0.00 N ATOM 712 CA PHE A 51 17.480 -23.675 0.217 1.00 0.00 C ATOM 713 C PHE A 51 18.525 -22.960 -0.634 1.00 0.00 C ATOM 714 O PHE A 51 18.550 -21.732 -0.703 1.00 0.00 O ATOM 715 CB PHE A 51 16.249 -23.998 -0.631 1.00 0.00 C ATOM 716 CG PHE A 51 15.562 -25.272 -0.230 1.00 0.00 C ATOM 717 CD1 PHE A 51 16.150 -26.501 -0.483 1.00 0.00 C ATOM 718 CD2 PHE A 51 14.328 -25.241 0.400 1.00 0.00 C ATOM 719 CE1 PHE A 51 15.521 -27.675 -0.115 1.00 0.00 C ATOM 720 CE2 PHE A 51 13.695 -26.412 0.771 1.00 0.00 C ATOM 721 CZ PHE A 51 14.291 -27.631 0.512 1.00 0.00 C ATOM 0 H PHE A 51 16.245 -22.326 1.242 1.00 0.00 H new ATOM 0 HA PHE A 51 17.912 -24.605 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 51 15.540 -23.173 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 51 16.547 -24.069 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 51 17.111 -26.542 -0.974 1.00 0.00 H new ATOM 0 HD2 PHE A 51 13.856 -24.291 0.603 1.00 0.00 H new ATOM 0 HE1 PHE A 51 15.991 -28.626 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.735 -26.374 1.263 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.797 -28.547 0.799 1.00 0.00 H new ATOM 731 N GLU A 52 19.387 -23.740 -1.281 1.00 0.00 N ATOM 732 CA GLU A 52 20.435 -23.181 -2.127 1.00 0.00 C ATOM 733 C GLU A 52 19.860 -22.692 -3.454 1.00 0.00 C ATOM 734 O GLU A 52 20.576 -22.130 -4.281 1.00 0.00 O ATOM 735 CB GLU A 52 21.524 -24.225 -2.384 1.00 0.00 C ATOM 736 CG GLU A 52 22.746 -23.667 -3.094 1.00 0.00 C ATOM 737 CD GLU A 52 24.011 -24.437 -2.770 1.00 0.00 C ATOM 738 OE1 GLU A 52 24.223 -24.758 -1.582 1.00 0.00 O ATOM 739 OE2 GLU A 52 24.789 -24.720 -3.705 1.00 0.00 O ATOM 0 H GLU A 52 19.380 -24.759 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 52 20.873 -22.330 -1.605 1.00 0.00 H new ATOM 0 HB2 GLU A 52 21.833 -24.657 -1.432 1.00 0.00 H new ATOM 0 HB3 GLU A 52 21.105 -25.035 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 52 22.578 -23.689 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 52 22.879 -22.622 -2.813 1.00 0.00 H new ATOM 746 N GLU A 53 18.564 -22.912 -3.647 1.00 0.00 N ATOM 747 CA GLU A 53 17.894 -22.495 -4.873 1.00 0.00 C ATOM 748 C GLU A 53 16.503 -21.943 -4.573 1.00 0.00 C ATOM 749 O GLU A 53 15.681 -22.611 -3.945 1.00 0.00 O ATOM 750 CB GLU A 53 17.789 -23.669 -5.848 1.00 0.00 C ATOM 751 CG GLU A 53 19.029 -23.862 -6.705 1.00 0.00 C ATOM 752 CD GLU A 53 19.374 -22.629 -7.518 1.00 0.00 C ATOM 753 OE1 GLU A 53 18.690 -22.376 -8.531 1.00 0.00 O ATOM 754 OE2 GLU A 53 20.328 -21.918 -7.140 1.00 0.00 O ATOM 0 H GLU A 53 17.957 -23.376 -2.971 1.00 0.00 H new ATOM 0 HA GLU A 53 18.489 -21.704 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 53 17.602 -24.583 -5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 53 16.928 -23.514 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.873 -24.118 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 53 18.873 -24.705 -7.378 1.00 0.00 H new ATOM 761 N ALA A 54 16.247 -20.720 -5.026 1.00 0.00 N ATOM 762 CA ALA A 54 14.956 -20.079 -4.807 1.00 0.00 C ATOM 763 C ALA A 54 13.811 -20.996 -5.222 1.00 0.00 C ATOM 764 O ALA A 54 12.798 -21.091 -4.529 1.00 0.00 O ATOM 765 CB ALA A 54 14.884 -18.764 -5.569 1.00 0.00 C ATOM 0 H ALA A 54 16.916 -20.153 -5.547 1.00 0.00 H new ATOM 0 HA ALA A 54 14.855 -19.875 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 54 13.915 -18.296 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.675 -18.099 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.011 -18.954 -6.635 1.00 0.00 H new ATOM 771 N GLU A 55 13.978 -21.670 -6.356 1.00 0.00 N ATOM 772 CA GLU A 55 12.956 -22.578 -6.862 1.00 0.00 C ATOM 773 C GLU A 55 12.618 -23.648 -5.828 1.00 0.00 C ATOM 774 O GLU A 55 11.453 -23.854 -5.490 1.00 0.00 O ATOM 775 CB GLU A 55 13.426 -23.238 -8.160 1.00 0.00 C ATOM 776 CG GLU A 55 12.319 -23.955 -8.914 1.00 0.00 C ATOM 777 CD GLU A 55 11.573 -23.040 -9.866 1.00 0.00 C ATOM 778 OE1 GLU A 55 11.847 -21.822 -9.853 1.00 0.00 O ATOM 779 OE2 GLU A 55 10.716 -23.542 -10.623 1.00 0.00 O ATOM 0 H GLU A 55 14.811 -21.604 -6.941 1.00 0.00 H new ATOM 0 HA GLU A 55 12.057 -21.996 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.861 -22.477 -8.808 1.00 0.00 H new ATOM 0 HB3 GLU A 55 14.218 -23.951 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.746 -24.786 -9.475 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.615 -24.381 -8.199 1.00 0.00 H new ATOM 786 N SER A 56 13.647 -24.327 -5.330 1.00 0.00 N ATOM 787 CA SER A 56 13.460 -25.379 -4.338 1.00 0.00 C ATOM 788 C SER A 56 12.698 -24.853 -3.125 1.00 0.00 C ATOM 789 O SER A 56 11.846 -25.544 -2.567 1.00 0.00 O ATOM 790 CB SER A 56 14.814 -25.941 -3.899 1.00 0.00 C ATOM 791 OG SER A 56 14.654 -27.151 -3.178 1.00 0.00 O ATOM 0 H SER A 56 14.618 -24.167 -5.597 1.00 0.00 H new ATOM 0 HA SER A 56 12.874 -26.176 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.440 -26.115 -4.774 1.00 0.00 H new ATOM 0 HB3 SER A 56 15.331 -25.209 -3.278 1.00 0.00 H new ATOM 0 HG SER A 56 15.060 -27.059 -2.291 1.00 0.00 H new ATOM 797 N ALA A 57 13.011 -23.625 -2.724 1.00 0.00 N ATOM 798 CA ALA A 57 12.354 -23.005 -1.580 1.00 0.00 C ATOM 799 C ALA A 57 10.895 -22.689 -1.889 1.00 0.00 C ATOM 800 O ALA A 57 9.995 -23.079 -1.146 1.00 0.00 O ATOM 801 CB ALA A 57 13.094 -21.740 -1.169 1.00 0.00 C ATOM 0 H ALA A 57 13.715 -23.040 -3.174 1.00 0.00 H new ATOM 0 HA ALA A 57 12.377 -23.713 -0.751 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.593 -21.287 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.120 -21.990 -0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.100 -21.036 -2.001 1.00 0.00 H new ATOM 807 N ALA A 58 10.668 -21.980 -2.990 1.00 0.00 N ATOM 808 CA ALA A 58 9.317 -21.613 -3.397 1.00 0.00 C ATOM 809 C ALA A 58 8.426 -22.845 -3.515 1.00 0.00 C ATOM 810 O ALA A 58 7.221 -22.778 -3.272 1.00 0.00 O ATOM 811 CB ALA A 58 9.351 -20.856 -4.717 1.00 0.00 C ATOM 0 H ALA A 58 11.402 -21.648 -3.616 1.00 0.00 H new ATOM 0 HA ALA A 58 8.896 -20.964 -2.629 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.336 -20.588 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.946 -19.950 -4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.795 -21.487 -5.487 1.00 0.00 H new ATOM 817 N LYS A 59 9.025 -23.970 -3.891 1.00 0.00 N ATOM 818 CA LYS A 59 8.287 -25.218 -4.041 1.00 0.00 C ATOM 819 C LYS A 59 8.017 -25.857 -2.682 1.00 0.00 C ATOM 820 O LYS A 59 6.878 -26.196 -2.360 1.00 0.00 O ATOM 821 CB LYS A 59 9.065 -26.191 -4.929 1.00 0.00 C ATOM 822 CG LYS A 59 8.936 -25.896 -6.413 1.00 0.00 C ATOM 823 CD LYS A 59 7.687 -26.529 -7.002 1.00 0.00 C ATOM 824 CE LYS A 59 7.812 -26.716 -8.506 1.00 0.00 C ATOM 825 NZ LYS A 59 7.976 -25.417 -9.215 1.00 0.00 N ATOM 0 H LYS A 59 10.021 -24.043 -4.098 1.00 0.00 H new ATOM 0 HA LYS A 59 7.331 -24.991 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 59 10.119 -26.160 -4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.714 -27.205 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.906 -24.818 -6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.816 -26.270 -6.937 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.509 -27.494 -6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.823 -25.902 -6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.666 -27.358 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.926 -27.226 -8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.956 -25.577 -10.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.201 -24.776 -8.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.886 -24.989 -8.949 1.00 0.00 H new ATOM 839 N ALA A 60 9.071 -26.017 -1.889 1.00 0.00 N ATOM 840 CA ALA A 60 8.946 -26.612 -0.564 1.00 0.00 C ATOM 841 C ALA A 60 7.884 -25.895 0.263 1.00 0.00 C ATOM 842 O ALA A 60 7.207 -26.509 1.088 1.00 0.00 O ATOM 843 CB ALA A 60 10.287 -26.583 0.156 1.00 0.00 C ATOM 0 H ALA A 60 10.021 -25.743 -2.141 1.00 0.00 H new ATOM 0 HA ALA A 60 8.634 -27.649 -0.687 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.179 -27.030 1.144 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.021 -27.147 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.622 -25.551 0.260 1.00 0.00 H new ATOM 849 N ILE A 61 7.744 -24.593 0.036 1.00 0.00 N ATOM 850 CA ILE A 61 6.764 -23.793 0.760 1.00 0.00 C ATOM 851 C ILE A 61 5.342 -24.199 0.388 1.00 0.00 C ATOM 852 O ILE A 61 4.457 -24.245 1.242 1.00 0.00 O ATOM 853 CB ILE A 61 6.947 -22.290 0.480 1.00 0.00 C ATOM 854 CG1 ILE A 61 8.302 -21.812 1.004 1.00 0.00 C ATOM 855 CG2 ILE A 61 5.817 -21.492 1.113 1.00 0.00 C ATOM 856 CD1 ILE A 61 8.830 -20.588 0.289 1.00 0.00 C ATOM 0 H ILE A 61 8.297 -24.070 -0.643 1.00 0.00 H new ATOM 0 HA ILE A 61 6.927 -23.978 1.822 1.00 0.00 H new ATOM 0 HB ILE A 61 6.919 -22.131 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.213 -21.591 2.068 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.026 -22.621 0.905 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.960 -20.431 0.906 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.864 -21.817 0.696 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.816 -21.655 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 61 9.794 -20.306 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.951 -20.810 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.126 -19.765 0.409 1.00 0.00 H new ATOM 868 N GLU A 62 5.131 -24.493 -0.891 1.00 0.00 N ATOM 869 CA GLU A 62 3.815 -24.896 -1.374 1.00 0.00 C ATOM 870 C GLU A 62 3.634 -26.407 -1.264 1.00 0.00 C ATOM 871 O GLU A 62 2.528 -26.922 -1.418 1.00 0.00 O ATOM 872 CB GLU A 62 3.624 -24.453 -2.826 1.00 0.00 C ATOM 873 CG GLU A 62 3.284 -22.979 -2.973 1.00 0.00 C ATOM 874 CD GLU A 62 2.646 -22.658 -4.311 1.00 0.00 C ATOM 875 OE1 GLU A 62 1.923 -23.524 -4.847 1.00 0.00 O ATOM 876 OE2 GLU A 62 2.870 -21.541 -4.821 1.00 0.00 O ATOM 0 H GLU A 62 5.853 -24.460 -1.611 1.00 0.00 H new ATOM 0 HA GLU A 62 3.063 -24.411 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.536 -24.664 -3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.829 -25.047 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.606 -22.685 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.192 -22.387 -2.856 1.00 0.00 H new ATOM 883 N GLU A 63 4.730 -27.110 -0.997 1.00 0.00 N ATOM 884 CA GLU A 63 4.693 -28.562 -0.868 1.00 0.00 C ATOM 885 C GLU A 63 4.570 -28.975 0.596 1.00 0.00 C ATOM 886 O GLU A 63 3.557 -29.540 1.010 1.00 0.00 O ATOM 887 CB GLU A 63 5.950 -29.184 -1.480 1.00 0.00 C ATOM 888 CG GLU A 63 6.102 -28.910 -2.967 1.00 0.00 C ATOM 889 CD GLU A 63 5.465 -29.984 -3.826 1.00 0.00 C ATOM 890 OE1 GLU A 63 6.157 -30.974 -4.147 1.00 0.00 O ATOM 891 OE2 GLU A 63 4.276 -29.836 -4.179 1.00 0.00 O ATOM 0 H GLU A 63 5.654 -26.698 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 63 3.818 -28.926 -1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.826 -28.801 -0.957 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.928 -30.262 -1.318 1.00 0.00 H new ATOM 0 HG2 GLU A 63 5.651 -27.946 -3.203 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.161 -28.835 -3.212 1.00 0.00 H new ATOM 898 N VAL A 64 5.608 -28.689 1.375 1.00 0.00 N ATOM 899 CA VAL A 64 5.617 -29.029 2.793 1.00 0.00 C ATOM 900 C VAL A 64 4.349 -28.539 3.484 1.00 0.00 C ATOM 901 O VAL A 64 3.862 -29.164 4.427 1.00 0.00 O ATOM 902 CB VAL A 64 6.842 -28.428 3.507 1.00 0.00 C ATOM 903 CG1 VAL A 64 6.917 -28.919 4.944 1.00 0.00 C ATOM 904 CG2 VAL A 64 8.118 -28.768 2.752 1.00 0.00 C ATOM 0 H VAL A 64 6.454 -28.222 1.048 1.00 0.00 H new ATOM 0 HA VAL A 64 5.666 -30.116 2.857 1.00 0.00 H new ATOM 0 HB VAL A 64 6.735 -27.343 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.789 -28.484 5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.015 -28.620 5.478 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.001 -30.006 4.953 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.974 -28.335 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.233 -29.851 2.702 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.062 -28.362 1.742 1.00 0.00 H new ATOM 914 N HIS A 65 3.818 -27.418 3.008 1.00 0.00 N ATOM 915 CA HIS A 65 2.605 -26.844 3.579 1.00 0.00 C ATOM 916 C HIS A 65 1.445 -27.831 3.496 1.00 0.00 C ATOM 917 O HIS A 65 1.034 -28.231 2.407 1.00 0.00 O ATOM 918 CB HIS A 65 2.239 -25.547 2.855 1.00 0.00 C ATOM 919 CG HIS A 65 0.900 -25.002 3.244 1.00 0.00 C ATOM 920 ND1 HIS A 65 0.514 -24.816 4.555 1.00 0.00 N ATOM 921 CD2 HIS A 65 -0.147 -24.599 2.486 1.00 0.00 C ATOM 922 CE1 HIS A 65 -0.712 -24.325 4.586 1.00 0.00 C ATOM 923 NE2 HIS A 65 -1.135 -24.183 3.343 1.00 0.00 N ATOM 0 H HIS A 65 4.208 -26.889 2.228 1.00 0.00 H new ATOM 0 HA HIS A 65 2.797 -26.624 4.629 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.002 -24.797 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.251 -25.725 1.780 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.196 -24.604 1.407 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.273 -24.081 5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.048 -23.823 3.065 1.00 0.00 H new ATOM 931 N GLY A 66 0.922 -28.222 4.654 1.00 0.00 N ATOM 932 CA GLY A 66 -0.184 -29.161 4.689 1.00 0.00 C ATOM 933 C GLY A 66 0.269 -30.581 4.963 1.00 0.00 C ATOM 934 O GLY A 66 -0.532 -31.515 4.926 1.00 0.00 O ATOM 0 H GLY A 66 1.244 -27.905 5.568 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.893 -28.854 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.714 -29.129 3.737 1.00 0.00 H new ATOM 938 N LYS A 67 1.559 -30.747 5.237 1.00 0.00 N ATOM 939 CA LYS A 67 2.119 -32.064 5.517 1.00 0.00 C ATOM 940 C LYS A 67 1.692 -32.554 6.897 1.00 0.00 C ATOM 941 O LYS A 67 0.915 -31.895 7.587 1.00 0.00 O ATOM 942 CB LYS A 67 3.646 -32.020 5.429 1.00 0.00 C ATOM 943 CG LYS A 67 4.173 -32.000 4.005 1.00 0.00 C ATOM 944 CD LYS A 67 4.111 -33.378 3.368 1.00 0.00 C ATOM 945 CE LYS A 67 5.412 -34.142 3.563 1.00 0.00 C ATOM 946 NZ LYS A 67 5.486 -34.775 4.909 1.00 0.00 N ATOM 0 H LYS A 67 2.236 -29.985 5.271 1.00 0.00 H new ATOM 0 HA LYS A 67 1.738 -32.760 4.770 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.006 -31.135 5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.056 -32.887 5.947 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.590 -31.297 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.203 -31.643 4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.287 -33.944 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.903 -33.278 2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.501 -34.910 2.795 1.00 0.00 H new ATOM 0 HE3 LYS A 67 6.255 -33.463 3.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 6.139 -35.584 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.830 -34.079 5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.540 -35.104 5.190 1.00 0.00 H new ATOM 960 N SER A 68 2.206 -33.714 7.293 1.00 0.00 N ATOM 961 CA SER A 68 1.876 -34.293 8.590 1.00 0.00 C ATOM 962 C SER A 68 3.133 -34.488 9.433 1.00 0.00 C ATOM 963 O SER A 68 4.189 -34.857 8.919 1.00 0.00 O ATOM 964 CB SER A 68 1.159 -35.632 8.406 1.00 0.00 C ATOM 965 OG SER A 68 2.049 -36.626 7.927 1.00 0.00 O ATOM 0 H SER A 68 2.852 -34.271 6.734 1.00 0.00 H new ATOM 0 HA SER A 68 1.213 -33.602 9.111 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.729 -35.951 9.355 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.332 -35.512 7.706 1.00 0.00 H new ATOM 0 HG SER A 68 1.567 -37.472 7.820 1.00 0.00 H new ATOM 971 N PHE A 69 3.010 -34.236 10.732 1.00 0.00 N ATOM 972 CA PHE A 69 4.135 -34.381 11.649 1.00 0.00 C ATOM 973 C PHE A 69 3.682 -34.216 13.097 1.00 0.00 C ATOM 974 O PHE A 69 3.002 -33.249 13.439 1.00 0.00 O ATOM 975 CB PHE A 69 5.222 -33.355 11.323 1.00 0.00 C ATOM 976 CG PHE A 69 6.559 -33.688 11.922 1.00 0.00 C ATOM 977 CD1 PHE A 69 6.799 -33.481 13.270 1.00 0.00 C ATOM 978 CD2 PHE A 69 7.575 -34.207 11.136 1.00 0.00 C ATOM 979 CE1 PHE A 69 8.029 -33.785 13.824 1.00 0.00 C ATOM 980 CE2 PHE A 69 8.807 -34.514 11.684 1.00 0.00 C ATOM 981 CZ PHE A 69 9.033 -34.303 13.030 1.00 0.00 C ATOM 0 H PHE A 69 2.143 -33.930 11.174 1.00 0.00 H new ATOM 0 HA PHE A 69 4.543 -35.384 11.527 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.326 -33.279 10.241 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.906 -32.376 11.682 1.00 0.00 H new ATOM 0 HD1 PHE A 69 6.017 -33.078 13.896 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.403 -34.374 10.083 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.204 -33.617 14.876 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.591 -34.918 11.061 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.994 -34.543 13.461 1.00 0.00 H new ATOM 991 N ALA A 70 4.064 -35.168 13.942 1.00 0.00 N ATOM 992 CA ALA A 70 3.699 -35.128 15.353 1.00 0.00 C ATOM 993 C ALA A 70 2.185 -35.166 15.529 1.00 0.00 C ATOM 994 O ALA A 70 1.637 -34.514 16.417 1.00 0.00 O ATOM 995 CB ALA A 70 4.278 -33.885 16.013 1.00 0.00 C ATOM 0 H ALA A 70 4.626 -35.976 13.674 1.00 0.00 H new ATOM 0 HA ALA A 70 4.117 -36.011 15.836 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.998 -33.868 17.066 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.364 -33.900 15.927 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.887 -32.995 15.519 1.00 0.00 H new ATOM 1001 N ASN A 71 1.514 -35.934 14.677 1.00 0.00 N ATOM 1002 CA ASN A 71 0.062 -36.057 14.739 1.00 0.00 C ATOM 1003 C ASN A 71 -0.607 -34.699 14.545 1.00 0.00 C ATOM 1004 O ASN A 71 -1.669 -34.434 15.109 1.00 0.00 O ATOM 1005 CB ASN A 71 -0.364 -36.661 16.078 1.00 0.00 C ATOM 1006 CG ASN A 71 -0.287 -38.176 16.080 1.00 0.00 C ATOM 1007 OD1 ASN A 71 -1.310 -38.860 16.077 1.00 0.00 O ATOM 1008 ND2 ASN A 71 0.930 -38.706 16.085 1.00 0.00 N ATOM 0 H ASN A 71 1.952 -36.480 13.936 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.256 -36.718 13.933 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.272 -36.267 16.870 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -1.384 -36.352 16.305 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.045 -39.720 16.086 1.00 0.00 H new ATOM 0 HD22 ASN A 71 1.750 -38.100 16.087 1.00 0.00 H new ATOM 1015 N GLN A 72 0.022 -33.844 13.745 1.00 0.00 N ATOM 1016 CA GLN A 72 -0.513 -32.514 13.478 1.00 0.00 C ATOM 1017 C GLN A 72 -0.068 -32.014 12.107 1.00 0.00 C ATOM 1018 O GLN A 72 1.005 -32.361 11.611 1.00 0.00 O ATOM 1019 CB GLN A 72 -0.064 -31.534 14.562 1.00 0.00 C ATOM 1020 CG GLN A 72 -0.541 -31.908 15.956 1.00 0.00 C ATOM 1021 CD GLN A 72 -0.233 -30.838 16.985 1.00 0.00 C ATOM 1022 OE1 GLN A 72 0.928 -30.510 17.229 1.00 0.00 O ATOM 1023 NE2 GLN A 72 -1.276 -30.287 17.596 1.00 0.00 N ATOM 0 H GLN A 72 0.902 -34.048 13.271 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.601 -32.579 13.485 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.025 -31.479 14.562 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.433 -30.538 14.316 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.616 -32.085 15.933 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.070 -32.843 16.258 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.222 -30.589 17.363 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.131 -29.562 18.298 1.00 0.00 H new ATOM 1032 N PRO A 73 -0.910 -31.180 11.479 1.00 0.00 N ATOM 1033 CA PRO A 73 -0.624 -30.614 10.157 1.00 0.00 C ATOM 1034 C PRO A 73 0.511 -29.597 10.195 1.00 0.00 C ATOM 1035 O PRO A 73 0.460 -28.622 10.946 1.00 0.00 O ATOM 1036 CB PRO A 73 -1.939 -29.934 9.771 1.00 0.00 C ATOM 1037 CG PRO A 73 -2.600 -29.621 11.069 1.00 0.00 C ATOM 1038 CD PRO A 73 -2.205 -30.725 12.011 1.00 0.00 C ATOM 0 HA PRO A 73 -0.298 -31.376 9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.761 -29.030 9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.559 -30.590 9.159 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.278 -28.651 11.447 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.683 -29.574 10.954 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.114 -30.365 13.036 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.941 -31.529 12.019 1.00 0.00 H new ATOM 1046 N LEU A 74 1.535 -29.829 9.381 1.00 0.00 N ATOM 1047 CA LEU A 74 2.684 -28.932 9.321 1.00 0.00 C ATOM 1048 C LEU A 74 2.326 -27.637 8.598 1.00 0.00 C ATOM 1049 O LEU A 74 1.323 -27.569 7.889 1.00 0.00 O ATOM 1050 CB LEU A 74 3.855 -29.617 8.614 1.00 0.00 C ATOM 1051 CG LEU A 74 4.691 -30.570 9.470 1.00 0.00 C ATOM 1052 CD1 LEU A 74 5.804 -31.193 8.643 1.00 0.00 C ATOM 1053 CD2 LEU A 74 5.265 -29.839 10.675 1.00 0.00 C ATOM 0 H LEU A 74 1.593 -30.631 8.753 1.00 0.00 H new ATOM 0 HA LEU A 74 2.977 -28.688 10.342 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.464 -30.174 7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.514 -28.846 8.215 1.00 0.00 H new ATOM 0 HG LEU A 74 4.043 -31.369 9.829 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.388 -31.868 9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.372 -31.751 7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.452 -30.407 8.254 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.857 -30.532 11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.899 -29.020 10.336 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.451 -29.441 11.281 1.00 0.00 H new ATOM 1065 N GLU A 75 3.155 -26.615 8.782 1.00 0.00 N ATOM 1066 CA GLU A 75 2.926 -25.323 8.145 1.00 0.00 C ATOM 1067 C GLU A 75 4.249 -24.640 7.810 1.00 0.00 C ATOM 1068 O GLU A 75 5.130 -24.515 8.661 1.00 0.00 O ATOM 1069 CB GLU A 75 2.091 -24.421 9.057 1.00 0.00 C ATOM 1070 CG GLU A 75 1.101 -25.181 9.923 1.00 0.00 C ATOM 1071 CD GLU A 75 0.041 -24.280 10.526 1.00 0.00 C ATOM 1072 OE1 GLU A 75 -0.379 -23.321 9.844 1.00 0.00 O ATOM 1073 OE2 GLU A 75 -0.367 -24.532 11.679 1.00 0.00 O ATOM 0 H GLU A 75 3.990 -26.656 9.366 1.00 0.00 H new ATOM 0 HA GLU A 75 2.380 -25.495 7.217 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.760 -23.850 9.701 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.548 -23.702 8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.618 -25.953 9.324 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.639 -25.689 10.724 1.00 0.00 H new ATOM 1080 N VAL A 76 4.381 -24.200 6.562 1.00 0.00 N ATOM 1081 CA VAL A 76 5.595 -23.529 6.113 1.00 0.00 C ATOM 1082 C VAL A 76 5.270 -22.207 5.427 1.00 0.00 C ATOM 1083 O VAL A 76 4.251 -22.080 4.749 1.00 0.00 O ATOM 1084 CB VAL A 76 6.399 -24.414 5.142 1.00 0.00 C ATOM 1085 CG1 VAL A 76 7.823 -23.898 5.002 1.00 0.00 C ATOM 1086 CG2 VAL A 76 6.391 -25.862 5.611 1.00 0.00 C ATOM 0 H VAL A 76 3.662 -24.296 5.845 1.00 0.00 H new ATOM 0 HA VAL A 76 6.197 -23.336 7.001 1.00 0.00 H new ATOM 0 HB VAL A 76 5.925 -24.371 4.161 1.00 0.00 H new ATOM 0 HG11 VAL A 76 8.375 -24.536 4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 76 7.804 -22.878 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.311 -23.909 5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.964 -26.474 4.914 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.840 -25.926 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.364 -26.225 5.653 1.00 0.00 H new ATOM 1096 N VAL A 77 6.145 -21.222 5.608 1.00 0.00 N ATOM 1097 CA VAL A 77 5.953 -19.908 5.005 1.00 0.00 C ATOM 1098 C VAL A 77 7.278 -19.321 4.533 1.00 0.00 C ATOM 1099 O VAL A 77 8.349 -19.809 4.895 1.00 0.00 O ATOM 1100 CB VAL A 77 5.294 -18.929 5.994 1.00 0.00 C ATOM 1101 CG1 VAL A 77 4.581 -17.813 5.245 1.00 0.00 C ATOM 1102 CG2 VAL A 77 4.330 -19.666 6.912 1.00 0.00 C ATOM 0 H VAL A 77 6.994 -21.309 6.167 1.00 0.00 H new ATOM 0 HA VAL A 77 5.294 -20.046 4.147 1.00 0.00 H new ATOM 0 HB VAL A 77 6.075 -18.481 6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.121 -17.131 5.960 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.300 -17.268 4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.810 -18.240 4.604 1.00 0.00 H new ATOM 0 HG21 VAL A 77 3.874 -18.958 7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.552 -20.143 6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.872 -20.426 7.475 1.00 0.00 H new ATOM 1112 N TYR A 78 7.198 -18.273 3.722 1.00 0.00 N ATOM 1113 CA TYR A 78 8.392 -17.619 3.197 1.00 0.00 C ATOM 1114 C TYR A 78 9.088 -16.804 4.282 1.00 0.00 C ATOM 1115 O TYR A 78 8.728 -15.656 4.539 1.00 0.00 O ATOM 1116 CB TYR A 78 8.027 -16.715 2.019 1.00 0.00 C ATOM 1117 CG TYR A 78 8.533 -17.222 0.687 1.00 0.00 C ATOM 1118 CD1 TYR A 78 9.888 -17.441 0.474 1.00 0.00 C ATOM 1119 CD2 TYR A 78 7.655 -17.482 -0.358 1.00 0.00 C ATOM 1120 CE1 TYR A 78 10.354 -17.904 -0.741 1.00 0.00 C ATOM 1121 CE2 TYR A 78 8.112 -17.945 -1.577 1.00 0.00 C ATOM 1122 CZ TYR A 78 9.463 -18.154 -1.763 1.00 0.00 C ATOM 1123 OH TYR A 78 9.923 -18.616 -2.975 1.00 0.00 O ATOM 0 H TYR A 78 6.319 -17.857 3.413 1.00 0.00 H new ATOM 0 HA TYR A 78 9.078 -18.393 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.943 -16.614 1.972 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.432 -15.719 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.589 -17.246 1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.597 -17.319 -0.215 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.411 -18.069 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.416 -18.142 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 78 9.430 -18.179 -3.700 1.00 0.00 H new ATOM 1133 N SER A 79 10.089 -17.407 4.916 1.00 0.00 N ATOM 1134 CA SER A 79 10.835 -16.740 5.976 1.00 0.00 C ATOM 1135 C SER A 79 11.385 -15.401 5.493 1.00 0.00 C ATOM 1136 O SER A 79 12.087 -15.332 4.485 1.00 0.00 O ATOM 1137 CB SER A 79 11.982 -17.630 6.459 1.00 0.00 C ATOM 1138 OG SER A 79 12.978 -16.866 7.117 1.00 0.00 O ATOM 0 H SER A 79 10.402 -18.357 4.714 1.00 0.00 H new ATOM 0 HA SER A 79 10.153 -16.556 6.806 1.00 0.00 H new ATOM 0 HB2 SER A 79 11.595 -18.391 7.137 1.00 0.00 H new ATOM 0 HB3 SER A 79 12.422 -18.154 5.610 1.00 0.00 H new ATOM 0 HG SER A 79 13.489 -17.445 7.720 1.00 0.00 H new ATOM 1144 N LYS A 80 11.059 -14.338 6.221 1.00 0.00 N ATOM 1145 CA LYS A 80 11.519 -13.000 5.871 1.00 0.00 C ATOM 1146 C LYS A 80 13.043 -12.933 5.864 1.00 0.00 C ATOM 1147 O LYS A 80 13.627 -11.879 5.611 1.00 0.00 O ATOM 1148 CB LYS A 80 10.957 -11.971 6.854 1.00 0.00 C ATOM 1149 CG LYS A 80 11.143 -12.358 8.311 1.00 0.00 C ATOM 1150 CD LYS A 80 10.780 -11.213 9.242 1.00 0.00 C ATOM 1151 CE LYS A 80 11.386 -11.406 10.624 1.00 0.00 C ATOM 1152 NZ LYS A 80 10.487 -12.186 11.519 1.00 0.00 N ATOM 0 H LYS A 80 10.477 -14.378 7.058 1.00 0.00 H new ATOM 0 HA LYS A 80 11.158 -12.770 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.440 -11.010 6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.894 -11.834 6.656 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.524 -13.225 8.540 1.00 0.00 H new ATOM 0 HG3 LYS A 80 12.179 -12.652 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.131 -10.272 8.818 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.696 -11.140 9.326 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.343 -11.920 10.533 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.588 -10.433 11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.935 -12.296 12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.583 -11.683 11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.314 -13.124 11.105 1.00 0.00 H new TER 1166 LYS A 80