USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=10 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 26 GLN : amide:sc= -5.68! C(o=-7.9!,f=-5!) USER MOD Set 1.2: A 55 GLN : amide:sc= -2.26! K(o=-7.9!,f=-5) USER MOD Set 2.1: A 40 GLN : amide:sc= 0.199 K(o=0.53,f=-1.4) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.334 K(o=0.53,f=-1.2) USER MOD Set 3.1: A 21 ASN : amide:sc= -2.2! C(o=-4.3!,f=-0.81!) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.14! K(o=-4.3!,f=0.14) USER MOD Single : A 1 VAL N :NH3+ -143:sc= -0.105 (180deg=-0.658) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.88! K(o=-1.9!,f=0.24) USER MOD Single : A 7 LYS NZ :NH3+ 157:sc= -0.0692 (180deg=-0.573) USER MOD Single : A 9 MET CE :methyl -163:sc= -0.14 (180deg=-0.78) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.421 K(o=0.42,f=-3.2!) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 2.01 (180deg=1.78) USER MOD Single : A 33 SER OG : rot -22:sc= 1.2 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 104:sc= 0.597 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.521 (180deg=0.481) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.900 21.038 -0.994 1.00 0.00 N ATOM 2 CA VAL A 1 5.814 20.484 -0.132 1.00 0.00 C ATOM 3 C VAL A 1 5.463 21.512 0.946 1.00 0.00 C ATOM 4 O VAL A 1 6.321 21.897 1.747 1.00 0.00 O ATOM 5 CB VAL A 1 6.288 19.171 0.522 1.00 0.00 C ATOM 6 CG1 VAL A 1 5.146 18.555 1.344 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.730 18.172 -0.563 1.00 0.00 C ATOM 0 H1 VAL A 1 6.742 20.748 -1.980 1.00 0.00 H new ATOM 0 H2 VAL A 1 6.896 22.076 -0.933 1.00 0.00 H new ATOM 0 H3 VAL A 1 7.819 20.676 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 1 4.931 20.275 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 1 7.131 19.390 1.177 1.00 0.00 H new ATOM 0 HG11 VAL A 1 5.488 17.627 1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.840 19.254 2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.299 18.346 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.063 17.247 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.891 17.960 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 1 7.549 18.601 -1.140 1.00 0.00 H new ATOM 17 N ASP A 2 4.200 21.952 0.957 1.00 0.00 N ATOM 18 CA ASP A 2 3.741 22.934 1.938 1.00 0.00 C ATOM 19 C ASP A 2 3.592 22.286 3.319 1.00 0.00 C ATOM 20 O ASP A 2 4.426 22.504 4.203 1.00 0.00 O ATOM 21 CB ASP A 2 2.401 23.544 1.488 1.00 0.00 C ATOM 22 CG ASP A 2 2.576 24.309 0.171 1.00 0.00 C ATOM 23 OD1 ASP A 2 3.284 25.304 0.174 1.00 0.00 O ATOM 24 OD2 ASP A 2 1.995 23.891 -0.819 1.00 0.00 O ATOM 0 H ASP A 2 3.483 21.644 0.300 1.00 0.00 H new ATOM 0 HA ASP A 2 4.484 23.728 2.009 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.660 22.755 1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.023 24.216 2.259 1.00 0.00 H new ATOM 29 N ASN A 3 2.527 21.491 3.495 1.00 0.00 N ATOM 30 CA ASN A 3 2.270 20.814 4.770 1.00 0.00 C ATOM 31 C ASN A 3 2.931 19.433 4.799 1.00 0.00 C ATOM 32 O ASN A 3 3.792 19.171 5.644 1.00 0.00 O ATOM 33 CB ASN A 3 0.754 20.670 4.991 1.00 0.00 C ATOM 34 CG ASN A 3 0.082 22.044 5.002 1.00 0.00 C ATOM 35 OD1 ASN A 3 -0.832 22.297 4.217 1.00 0.00 O ATOM 36 ND2 ASN A 3 0.480 22.952 5.853 1.00 0.00 N ATOM 0 H ASN A 3 1.833 21.303 2.772 1.00 0.00 H new ATOM 0 HA ASN A 3 2.698 21.418 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.322 20.054 4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.565 20.158 5.935 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.034 23.869 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.237 22.744 6.504 1.00 0.00 H new ATOM 43 N LYS A 4 2.518 18.555 3.875 1.00 0.00 N ATOM 44 CA LYS A 4 3.064 17.192 3.798 1.00 0.00 C ATOM 45 C LYS A 4 2.619 16.514 2.495 1.00 0.00 C ATOM 46 O LYS A 4 1.499 16.735 2.027 1.00 0.00 O ATOM 47 CB LYS A 4 2.580 16.371 5.009 1.00 0.00 C ATOM 48 CG LYS A 4 3.335 15.031 5.097 1.00 0.00 C ATOM 49 CD LYS A 4 4.759 15.259 5.634 1.00 0.00 C ATOM 50 CE LYS A 4 5.458 13.911 5.849 1.00 0.00 C ATOM 51 NZ LYS A 4 6.817 14.143 6.419 1.00 0.00 N ATOM 0 H LYS A 4 1.809 18.763 3.172 1.00 0.00 H new ATOM 0 HA LYS A 4 4.153 17.245 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.733 16.941 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.509 16.186 4.924 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.797 14.344 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.380 14.565 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.329 15.866 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.719 15.812 6.573 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.870 13.288 6.523 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.535 13.374 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.293 13.230 6.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.375 14.722 5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.732 14.639 7.329 1.00 0.00 H new ATOM 65 N PHE A 5 3.503 15.686 1.922 1.00 0.00 N ATOM 66 CA PHE A 5 3.200 14.971 0.672 1.00 0.00 C ATOM 67 C PHE A 5 2.425 13.673 0.951 1.00 0.00 C ATOM 68 O PHE A 5 2.795 12.592 0.486 1.00 0.00 O ATOM 69 CB PHE A 5 4.503 14.693 -0.115 1.00 0.00 C ATOM 70 CG PHE A 5 5.486 13.876 0.713 1.00 0.00 C ATOM 71 CD1 PHE A 5 6.281 14.504 1.685 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.619 12.494 0.499 1.00 0.00 C ATOM 73 CE1 PHE A 5 7.196 13.758 2.437 1.00 0.00 C ATOM 74 CE2 PHE A 5 6.533 11.749 1.254 1.00 0.00 C ATOM 75 CZ PHE A 5 7.321 12.381 2.222 1.00 0.00 C ATOM 0 H PHE A 5 4.430 15.494 2.301 1.00 0.00 H new ATOM 0 HA PHE A 5 2.560 15.604 0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.267 14.159 -1.035 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.964 15.637 -0.404 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.186 15.567 1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.014 12.005 -0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 5 7.806 14.245 3.183 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.630 10.686 1.089 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.026 11.806 2.804 1.00 0.00 H new ATOM 85 N ASN A 6 1.328 13.800 1.707 1.00 0.00 N ATOM 86 CA ASN A 6 0.486 12.645 2.052 1.00 0.00 C ATOM 87 C ASN A 6 -0.550 12.345 0.953 1.00 0.00 C ATOM 88 O ASN A 6 -1.329 11.392 1.075 1.00 0.00 O ATOM 89 CB ASN A 6 -0.224 12.897 3.391 1.00 0.00 C ATOM 90 CG ASN A 6 -1.126 14.126 3.298 1.00 0.00 C ATOM 91 OD1 ASN A 6 -2.347 14.000 3.202 1.00 0.00 O ATOM 92 ND2 ASN A 6 -0.591 15.313 3.316 1.00 0.00 N ATOM 0 H ASN A 6 1.002 14.687 2.091 1.00 0.00 H new ATOM 0 HA ASN A 6 1.135 11.774 2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -0.817 12.024 3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 6 0.515 13.040 4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.184 16.141 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.421 15.415 3.396 1.00 0.00 H new ATOM 99 N LYS A 7 -0.551 13.151 -0.116 1.00 0.00 N ATOM 100 CA LYS A 7 -1.490 12.946 -1.225 1.00 0.00 C ATOM 101 C LYS A 7 -1.245 11.580 -1.873 1.00 0.00 C ATOM 102 O LYS A 7 -2.179 10.796 -2.083 1.00 0.00 O ATOM 103 CB LYS A 7 -1.315 14.052 -2.281 1.00 0.00 C ATOM 104 CG LYS A 7 -1.539 15.445 -1.660 1.00 0.00 C ATOM 105 CD LYS A 7 -2.999 15.595 -1.199 1.00 0.00 C ATOM 106 CE LYS A 7 -3.277 17.055 -0.814 1.00 0.00 C ATOM 107 NZ LYS A 7 -3.220 17.914 -2.033 1.00 0.00 N ATOM 0 H LYS A 7 0.081 13.943 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.506 12.983 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.314 13.997 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.020 13.896 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.867 15.586 -0.814 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.299 16.219 -2.389 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.675 15.285 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.190 14.942 -0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.257 17.137 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.544 17.395 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.767 18.784 -1.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.231 18.161 -2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.623 17.397 -2.841 1.00 0.00 H new ATOM 121 N GLU A 8 0.026 11.304 -2.168 1.00 0.00 N ATOM 122 CA GLU A 8 0.414 10.035 -2.779 1.00 0.00 C ATOM 123 C GLU A 8 0.102 8.878 -1.831 1.00 0.00 C ATOM 124 O GLU A 8 -0.292 7.793 -2.273 1.00 0.00 O ATOM 125 CB GLU A 8 1.915 10.046 -3.113 1.00 0.00 C ATOM 126 CG GLU A 8 2.199 11.032 -4.269 1.00 0.00 C ATOM 127 CD GLU A 8 2.130 12.504 -3.812 1.00 0.00 C ATOM 128 OE1 GLU A 8 2.418 12.782 -2.656 1.00 0.00 O ATOM 129 OE2 GLU A 8 1.802 13.338 -4.642 1.00 0.00 O ATOM 0 H GLU A 8 0.802 11.942 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.154 9.902 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.489 10.333 -2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.240 9.044 -3.392 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.186 10.828 -4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.477 10.868 -5.069 1.00 0.00 H new ATOM 136 N MET A 9 0.276 9.120 -0.528 1.00 0.00 N ATOM 137 CA MET A 9 0.007 8.098 0.485 1.00 0.00 C ATOM 138 C MET A 9 -1.463 7.699 0.440 1.00 0.00 C ATOM 139 O MET A 9 -1.797 6.519 0.558 1.00 0.00 O ATOM 140 CB MET A 9 0.335 8.637 1.886 1.00 0.00 C ATOM 141 CG MET A 9 1.813 9.024 1.972 1.00 0.00 C ATOM 142 SD MET A 9 2.176 9.616 3.643 1.00 0.00 S ATOM 143 CE MET A 9 3.769 10.375 3.258 1.00 0.00 C ATOM 0 H MET A 9 0.601 10.011 -0.152 1.00 0.00 H new ATOM 0 HA MET A 9 0.633 7.230 0.275 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.289 9.504 2.105 1.00 0.00 H new ATOM 0 HB3 MET A 9 0.105 7.881 2.637 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.441 8.166 1.733 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.042 9.799 1.241 1.00 0.00 H new ATOM 0 HE1 MET A 9 4.324 10.543 4.181 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.340 9.713 2.607 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.606 11.328 2.754 1.00 0.00 H new ATOM 153 N ARG A 10 -2.330 8.702 0.266 1.00 0.00 N ATOM 154 CA ARG A 10 -3.772 8.470 0.200 1.00 0.00 C ATOM 155 C ARG A 10 -4.114 7.581 -0.994 1.00 0.00 C ATOM 156 O ARG A 10 -4.940 6.665 -0.882 1.00 0.00 O ATOM 157 CB ARG A 10 -4.510 9.814 0.084 1.00 0.00 C ATOM 158 CG ARG A 10 -6.026 9.595 0.222 1.00 0.00 C ATOM 159 CD ARG A 10 -6.745 10.950 0.221 1.00 0.00 C ATOM 160 NE ARG A 10 -6.610 11.598 -1.087 1.00 0.00 N ATOM 161 CZ ARG A 10 -7.341 11.230 -2.143 1.00 0.00 C ATOM 162 NH1 ARG A 10 -8.210 10.259 -2.049 1.00 0.00 N ATOM 163 NH2 ARG A 10 -7.185 11.845 -3.279 1.00 0.00 N ATOM 0 H ARG A 10 -2.056 9.680 0.169 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.089 7.964 1.112 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.161 10.498 0.858 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.287 10.279 -0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.391 8.978 -0.599 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.243 9.058 1.145 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.800 10.810 0.457 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.327 11.591 0.997 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.935 12.355 -1.195 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.337 9.772 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.762 9.988 -2.863 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.508 12.603 -3.360 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.740 11.569 -4.089 1.00 0.00 H new ATOM 177 N ASN A 11 -3.473 7.859 -2.137 1.00 0.00 N ATOM 178 CA ASN A 11 -3.716 7.079 -3.354 1.00 0.00 C ATOM 179 C ASN A 11 -3.378 5.602 -3.128 1.00 0.00 C ATOM 180 O ASN A 11 -4.194 4.724 -3.415 1.00 0.00 O ATOM 181 CB ASN A 11 -2.872 7.632 -4.516 1.00 0.00 C ATOM 182 CG ASN A 11 -3.288 9.067 -4.863 1.00 0.00 C ATOM 183 OD1 ASN A 11 -4.429 9.469 -4.624 1.00 0.00 O ATOM 184 ND2 ASN A 11 -2.424 9.867 -5.422 1.00 0.00 N ATOM 0 H ASN A 11 -2.790 8.609 -2.243 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.773 7.161 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.816 7.611 -4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -2.990 6.994 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -2.693 10.822 -5.660 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.479 9.538 -5.621 1.00 0.00 H new ATOM 191 N ALA A 12 -2.178 5.334 -2.604 1.00 0.00 N ATOM 192 CA ALA A 12 -1.758 3.954 -2.343 1.00 0.00 C ATOM 193 C ALA A 12 -2.562 3.344 -1.190 1.00 0.00 C ATOM 194 O ALA A 12 -2.774 2.133 -1.153 1.00 0.00 O ATOM 195 CB ALA A 12 -0.255 3.898 -2.025 1.00 0.00 C ATOM 0 H ALA A 12 -1.489 6.043 -2.355 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.950 3.370 -3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.038 2.866 -1.834 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.311 4.285 -2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.047 4.503 -1.143 1.00 0.00 H new ATOM 201 N TYR A 13 -3.001 4.190 -0.249 1.00 0.00 N ATOM 202 CA TYR A 13 -3.773 3.722 0.909 1.00 0.00 C ATOM 203 C TYR A 13 -5.034 2.968 0.476 1.00 0.00 C ATOM 204 O TYR A 13 -5.251 1.824 0.896 1.00 0.00 O ATOM 205 CB TYR A 13 -4.164 4.930 1.786 1.00 0.00 C ATOM 206 CG TYR A 13 -5.010 4.490 2.972 1.00 0.00 C ATOM 207 CD1 TYR A 13 -6.403 4.391 2.836 1.00 0.00 C ATOM 208 CD2 TYR A 13 -4.408 4.194 4.202 1.00 0.00 C ATOM 209 CE1 TYR A 13 -7.189 3.998 3.926 1.00 0.00 C ATOM 210 CE2 TYR A 13 -5.197 3.800 5.291 1.00 0.00 C ATOM 211 CZ TYR A 13 -6.585 3.703 5.152 1.00 0.00 C ATOM 212 OH TYR A 13 -7.361 3.315 6.226 1.00 0.00 O ATOM 0 H TYR A 13 -2.836 5.196 -0.266 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.150 3.032 1.478 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.264 5.432 2.142 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -4.718 5.654 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.870 4.618 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -3.336 4.269 4.311 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -8.261 3.923 3.820 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.733 3.571 6.239 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.786 3.146 7.001 1.00 0.00 H new ATOM 222 N TRP A 14 -5.869 3.613 -0.348 1.00 0.00 N ATOM 223 CA TRP A 14 -7.117 2.985 -0.796 1.00 0.00 C ATOM 224 C TRP A 14 -6.872 1.908 -1.865 1.00 0.00 C ATOM 225 O TRP A 14 -7.565 0.887 -1.877 1.00 0.00 O ATOM 226 CB TRP A 14 -8.120 4.058 -1.274 1.00 0.00 C ATOM 227 CG TRP A 14 -7.938 4.402 -2.727 1.00 0.00 C ATOM 228 CD1 TRP A 14 -7.101 5.349 -3.209 1.00 0.00 C ATOM 229 CD2 TRP A 14 -8.615 3.830 -3.885 1.00 0.00 C ATOM 230 NE1 TRP A 14 -7.215 5.390 -4.586 1.00 0.00 N ATOM 231 CE2 TRP A 14 -8.135 4.472 -5.052 1.00 0.00 C ATOM 232 CE3 TRP A 14 -9.587 2.823 -4.036 1.00 0.00 C ATOM 233 CZ2 TRP A 14 -8.602 4.129 -6.321 1.00 0.00 C ATOM 234 CZ3 TRP A 14 -10.060 2.476 -5.313 1.00 0.00 C ATOM 235 CH2 TRP A 14 -9.568 3.128 -6.453 1.00 0.00 C ATOM 0 H TRP A 14 -5.708 4.552 -0.712 1.00 0.00 H new ATOM 0 HA TRP A 14 -7.557 2.470 0.058 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -9.137 3.700 -1.112 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -8.000 4.959 -0.672 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.449 5.972 -2.614 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.684 6.022 -5.185 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -9.972 2.314 -3.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -8.219 4.634 -7.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -10.807 1.703 -5.417 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -9.935 2.857 -7.432 1.00 0.00 H new ATOM 246 N GLU A 15 -5.893 2.134 -2.751 1.00 0.00 N ATOM 247 CA GLU A 15 -5.589 1.156 -3.807 1.00 0.00 C ATOM 248 C GLU A 15 -5.119 -0.171 -3.205 1.00 0.00 C ATOM 249 O GLU A 15 -5.601 -1.237 -3.593 1.00 0.00 O ATOM 250 CB GLU A 15 -4.508 1.706 -4.748 1.00 0.00 C ATOM 251 CG GLU A 15 -5.102 2.807 -5.638 1.00 0.00 C ATOM 252 CD GLU A 15 -4.030 3.358 -6.582 1.00 0.00 C ATOM 253 OE1 GLU A 15 -3.189 4.111 -6.116 1.00 0.00 O ATOM 254 OE2 GLU A 15 -4.065 3.019 -7.754 1.00 0.00 O ATOM 0 H GLU A 15 -5.307 2.969 -2.760 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.503 0.978 -4.373 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.676 2.105 -4.167 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.108 0.902 -5.366 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.936 2.408 -6.216 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.500 3.611 -5.018 1.00 0.00 H new ATOM 261 N ILE A 16 -4.187 -0.097 -2.253 1.00 0.00 N ATOM 262 CA ILE A 16 -3.672 -1.305 -1.598 1.00 0.00 C ATOM 263 C ILE A 16 -4.790 -2.004 -0.820 1.00 0.00 C ATOM 264 O ILE A 16 -4.993 -3.214 -0.963 1.00 0.00 O ATOM 265 CB ILE A 16 -2.509 -0.944 -0.650 1.00 0.00 C ATOM 266 CG1 ILE A 16 -1.317 -0.416 -1.473 1.00 0.00 C ATOM 267 CG2 ILE A 16 -2.068 -2.185 0.152 1.00 0.00 C ATOM 268 CD1 ILE A 16 -0.267 0.200 -0.540 1.00 0.00 C ATOM 0 H ILE A 16 -3.776 0.775 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.301 -1.986 -2.364 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.847 -0.174 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.873 -1.229 -2.048 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.661 0.330 -2.189 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.247 -1.916 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.907 -2.554 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.738 -2.964 -0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.571 0.570 -1.130 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.713 1.025 0.015 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.088 -0.557 0.159 1.00 0.00 H new ATOM 280 N ALA A 17 -5.499 -1.231 0.008 1.00 0.00 N ATOM 281 CA ALA A 17 -6.587 -1.772 0.828 1.00 0.00 C ATOM 282 C ALA A 17 -7.659 -2.451 -0.035 1.00 0.00 C ATOM 283 O ALA A 17 -8.318 -3.393 0.419 1.00 0.00 O ATOM 284 CB ALA A 17 -7.228 -0.646 1.646 1.00 0.00 C ATOM 0 H ALA A 17 -5.340 -0.231 0.128 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.162 -2.522 1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.036 -1.053 2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.477 -0.195 2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.627 0.112 0.972 1.00 0.00 H new ATOM 290 N LEU A 18 -7.835 -1.954 -1.265 1.00 0.00 N ATOM 291 CA LEU A 18 -8.840 -2.497 -2.187 1.00 0.00 C ATOM 292 C LEU A 18 -8.589 -3.979 -2.496 1.00 0.00 C ATOM 293 O LEU A 18 -9.544 -4.746 -2.645 1.00 0.00 O ATOM 294 CB LEU A 18 -8.839 -1.689 -3.497 1.00 0.00 C ATOM 295 CG LEU A 18 -9.997 -2.139 -4.414 1.00 0.00 C ATOM 296 CD1 LEU A 18 -11.344 -1.683 -3.831 1.00 0.00 C ATOM 297 CD2 LEU A 18 -9.811 -1.521 -5.809 1.00 0.00 C ATOM 0 H LEU A 18 -7.295 -1.177 -1.645 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.812 -2.416 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -8.936 -0.626 -3.275 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.888 -1.822 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.991 -3.227 -4.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.152 -2.006 -4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.480 -2.123 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.356 -0.596 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.627 -1.837 -6.459 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.811 -0.434 -5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.862 -1.853 -6.231 1.00 0.00 H new ATOM 309 N LEU A 19 -7.312 -4.375 -2.605 1.00 0.00 N ATOM 310 CA LEU A 19 -6.979 -5.773 -2.916 1.00 0.00 C ATOM 311 C LEU A 19 -7.470 -6.698 -1.785 1.00 0.00 C ATOM 312 O LEU A 19 -7.065 -6.535 -0.631 1.00 0.00 O ATOM 313 CB LEU A 19 -5.456 -5.911 -3.108 1.00 0.00 C ATOM 314 CG LEU A 19 -5.049 -5.745 -4.597 1.00 0.00 C ATOM 315 CD1 LEU A 19 -5.858 -4.634 -5.292 1.00 0.00 C ATOM 316 CD2 LEU A 19 -3.556 -5.392 -4.681 1.00 0.00 C ATOM 0 H LEU A 19 -6.507 -3.760 -2.485 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.478 -6.067 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.944 -5.162 -2.505 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.131 -6.887 -2.748 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.255 -6.688 -5.103 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.542 -4.550 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.920 -4.878 -5.253 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.685 -3.686 -4.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.268 -5.275 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.372 -4.460 -4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.967 -6.191 -4.230 1.00 0.00 H new ATOM 328 N PRO A 20 -8.353 -7.643 -2.093 1.00 0.00 N ATOM 329 CA PRO A 20 -8.940 -8.592 -1.086 1.00 0.00 C ATOM 330 C PRO A 20 -8.133 -9.877 -0.838 1.00 0.00 C ATOM 331 O PRO A 20 -8.317 -10.519 0.201 1.00 0.00 O ATOM 332 CB PRO A 20 -10.286 -8.933 -1.724 1.00 0.00 C ATOM 333 CG PRO A 20 -10.009 -8.946 -3.194 1.00 0.00 C ATOM 334 CD PRO A 20 -8.906 -7.915 -3.441 1.00 0.00 C ATOM 0 HA PRO A 20 -8.977 -8.135 -0.097 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -10.655 -9.900 -1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.045 -8.193 -1.469 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.693 -9.937 -3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -10.907 -8.696 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.142 -8.303 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.303 -7.009 -3.899 1.00 0.00 H new ATOM 342 N ASN A 21 -7.283 -10.275 -1.792 1.00 0.00 N ATOM 343 CA ASN A 21 -6.510 -11.522 -1.649 1.00 0.00 C ATOM 344 C ASN A 21 -5.250 -11.335 -0.809 1.00 0.00 C ATOM 345 O ASN A 21 -4.573 -12.318 -0.494 1.00 0.00 O ATOM 346 CB ASN A 21 -6.143 -12.104 -3.029 1.00 0.00 C ATOM 347 CG ASN A 21 -5.917 -10.995 -4.054 1.00 0.00 C ATOM 348 OD1 ASN A 21 -5.289 -9.979 -3.752 1.00 0.00 O ATOM 349 ND2 ASN A 21 -6.400 -11.130 -5.254 1.00 0.00 N ATOM 0 H ASN A 21 -7.112 -9.764 -2.658 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.153 -12.227 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.242 -12.712 -2.942 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.940 -12.763 -3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.259 -10.394 -5.946 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.920 -11.972 -5.503 1.00 0.00 H new ATOM 356 N LEU A 22 -4.939 -10.092 -0.427 1.00 0.00 N ATOM 357 CA LEU A 22 -3.755 -9.852 0.401 1.00 0.00 C ATOM 358 C LEU A 22 -4.015 -10.335 1.816 1.00 0.00 C ATOM 359 O LEU A 22 -5.044 -10.003 2.411 1.00 0.00 O ATOM 360 CB LEU A 22 -3.386 -8.362 0.479 1.00 0.00 C ATOM 361 CG LEU A 22 -3.131 -7.770 -0.909 1.00 0.00 C ATOM 362 CD1 LEU A 22 -3.271 -6.243 -0.836 1.00 0.00 C ATOM 363 CD2 LEU A 22 -1.708 -8.109 -1.363 1.00 0.00 C ATOM 0 H LEU A 22 -5.474 -9.258 -0.670 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.932 -10.394 -0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.191 -7.813 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.496 -8.239 1.096 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.851 -8.185 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.091 -5.814 -1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.278 -5.985 -0.507 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.544 -5.844 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.531 -7.686 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.991 -7.692 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.588 -9.192 -1.405 1.00 0.00 H new ATOM 375 N ASN A 23 -3.067 -11.103 2.355 1.00 0.00 N ATOM 376 CA ASN A 23 -3.191 -11.615 3.730 1.00 0.00 C ATOM 377 C ASN A 23 -3.461 -10.455 4.699 1.00 0.00 C ATOM 378 O ASN A 23 -2.990 -9.334 4.479 1.00 0.00 O ATOM 379 CB ASN A 23 -1.909 -12.344 4.154 1.00 0.00 C ATOM 380 CG ASN A 23 -2.107 -13.003 5.520 1.00 0.00 C ATOM 381 OD1 ASN A 23 -1.717 -12.442 6.545 1.00 0.00 O ATOM 382 ND2 ASN A 23 -2.692 -14.166 5.596 1.00 0.00 N ATOM 0 H ASN A 23 -2.214 -11.384 1.872 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.023 -12.318 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.648 -13.098 3.412 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.078 -11.640 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.827 -14.611 6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.015 -14.631 4.747 1.00 0.00 H new ATOM 389 N ASN A 24 -4.239 -10.731 5.757 1.00 0.00 N ATOM 390 CA ASN A 24 -4.603 -9.709 6.756 1.00 0.00 C ATOM 391 C ASN A 24 -3.375 -8.969 7.303 1.00 0.00 C ATOM 392 O ASN A 24 -3.406 -7.747 7.480 1.00 0.00 O ATOM 393 CB ASN A 24 -5.351 -10.375 7.919 1.00 0.00 C ATOM 394 CG ASN A 24 -5.911 -9.316 8.867 1.00 0.00 C ATOM 395 OD1 ASN A 24 -5.370 -9.099 9.950 1.00 0.00 O ATOM 396 ND2 ASN A 24 -6.972 -8.640 8.521 1.00 0.00 N ATOM 0 H ASN A 24 -4.630 -11.654 5.945 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.239 -8.976 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.162 -10.992 7.532 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.677 -11.038 8.461 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.353 -7.932 9.149 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.421 -8.820 7.623 1.00 0.00 H new ATOM 403 N GLN A 25 -2.304 -9.720 7.563 1.00 0.00 N ATOM 404 CA GLN A 25 -1.070 -9.134 8.086 1.00 0.00 C ATOM 405 C GLN A 25 -0.399 -8.239 7.042 1.00 0.00 C ATOM 406 O GLN A 25 0.100 -7.162 7.370 1.00 0.00 O ATOM 407 CB GLN A 25 -0.100 -10.249 8.507 1.00 0.00 C ATOM 408 CG GLN A 25 -0.704 -11.051 9.671 1.00 0.00 C ATOM 409 CD GLN A 25 0.222 -12.199 10.084 1.00 0.00 C ATOM 410 OE1 GLN A 25 0.999 -12.707 9.273 1.00 0.00 O ATOM 411 NE2 GLN A 25 0.182 -12.644 11.309 1.00 0.00 N ATOM 0 H GLN A 25 -2.266 -10.729 7.421 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.326 -8.522 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.099 -10.909 7.663 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.856 -9.819 8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.874 -10.392 10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.675 -11.450 9.378 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.460 -12.226 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.792 -13.410 11.594 1.00 0.00 H new ATOM 420 N GLN A 26 -0.382 -8.705 5.791 1.00 0.00 N ATOM 421 CA GLN A 26 0.247 -7.961 4.694 1.00 0.00 C ATOM 422 C GLN A 26 -0.445 -6.618 4.441 1.00 0.00 C ATOM 423 O GLN A 26 0.230 -5.614 4.186 1.00 0.00 O ATOM 424 CB GLN A 26 0.228 -8.809 3.413 1.00 0.00 C ATOM 425 CG GLN A 26 1.134 -10.041 3.595 1.00 0.00 C ATOM 426 CD GLN A 26 1.051 -10.955 2.372 1.00 0.00 C ATOM 427 OE1 GLN A 26 2.077 -11.361 1.828 1.00 0.00 O ATOM 428 NE2 GLN A 26 -0.117 -11.304 1.908 1.00 0.00 N ATOM 0 H GLN A 26 -0.796 -9.594 5.511 1.00 0.00 H new ATOM 0 HA GLN A 26 1.277 -7.751 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.791 -9.124 3.189 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.571 -8.215 2.566 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.165 -9.722 3.748 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.835 -10.591 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.967 -10.967 2.360 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.180 -11.914 1.093 1.00 0.00 H new ATOM 437 N LYS A 27 -1.784 -6.598 4.510 1.00 0.00 N ATOM 438 CA LYS A 27 -2.539 -5.357 4.281 1.00 0.00 C ATOM 439 C LYS A 27 -2.127 -4.284 5.286 1.00 0.00 C ATOM 440 O LYS A 27 -1.685 -3.196 4.903 1.00 0.00 O ATOM 441 CB LYS A 27 -4.046 -5.615 4.416 1.00 0.00 C ATOM 442 CG LYS A 27 -4.544 -6.478 3.251 1.00 0.00 C ATOM 443 CD LYS A 27 -6.049 -6.743 3.415 1.00 0.00 C ATOM 444 CE LYS A 27 -6.858 -5.478 3.070 1.00 0.00 C ATOM 445 NZ LYS A 27 -7.765 -5.758 1.917 1.00 0.00 N ATOM 0 H LYS A 27 -2.360 -7.414 4.719 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.317 -5.011 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.253 -6.115 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.584 -4.667 4.432 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.354 -5.973 2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.999 -7.421 3.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.353 -7.565 2.766 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.261 -7.050 4.439 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.441 -5.161 3.935 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.182 -4.659 2.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.115 -4.861 1.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.242 -6.276 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.570 -6.332 2.240 1.00 0.00 H new ATOM 459 N ARG A 28 -2.276 -4.609 6.571 1.00 0.00 N ATOM 460 CA ARG A 28 -1.919 -3.683 7.647 1.00 0.00 C ATOM 461 C ARG A 28 -0.425 -3.356 7.610 1.00 0.00 C ATOM 462 O ARG A 28 -0.021 -2.243 7.956 1.00 0.00 O ATOM 463 CB ARG A 28 -2.271 -4.295 9.012 1.00 0.00 C ATOM 464 CG ARG A 28 -3.794 -4.470 9.136 1.00 0.00 C ATOM 465 CD ARG A 28 -4.143 -5.040 10.517 1.00 0.00 C ATOM 466 NE ARG A 28 -3.871 -4.048 11.560 1.00 0.00 N ATOM 467 CZ ARG A 28 -4.099 -4.297 12.854 1.00 0.00 C ATOM 468 NH1 ARG A 28 -4.575 -5.451 13.237 1.00 0.00 N ATOM 469 NH2 ARG A 28 -3.842 -3.380 13.741 1.00 0.00 N ATOM 0 H ARG A 28 -2.641 -5.506 6.892 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.486 -2.763 7.502 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.776 -5.259 9.125 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.905 -3.653 9.813 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.292 -3.511 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.157 -5.138 8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.194 -5.327 10.544 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.561 -5.942 10.703 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.496 -3.139 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.777 -6.174 12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.745 -5.629 14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.469 -2.477 13.448 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.014 -3.564 14.729 1.00 0.00 H new ATOM 483 N ALA A 29 0.385 -4.340 7.207 1.00 0.00 N ATOM 484 CA ALA A 29 1.837 -4.166 7.146 1.00 0.00 C ATOM 485 C ALA A 29 2.240 -3.079 6.144 1.00 0.00 C ATOM 486 O ALA A 29 3.105 -2.252 6.450 1.00 0.00 O ATOM 487 CB ALA A 29 2.508 -5.494 6.769 1.00 0.00 C ATOM 0 H ALA A 29 0.059 -5.263 6.919 1.00 0.00 H new ATOM 0 HA ALA A 29 2.173 -3.850 8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.588 -5.356 6.726 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.268 -6.248 7.518 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.145 -5.822 5.795 1.00 0.00 H new ATOM 493 N PHE A 30 1.632 -3.085 4.946 1.00 0.00 N ATOM 494 CA PHE A 30 1.977 -2.084 3.927 1.00 0.00 C ATOM 495 C PHE A 30 1.691 -0.663 4.417 1.00 0.00 C ATOM 496 O PHE A 30 2.601 0.164 4.475 1.00 0.00 O ATOM 497 CB PHE A 30 1.202 -2.340 2.624 1.00 0.00 C ATOM 498 CG PHE A 30 1.914 -3.396 1.802 1.00 0.00 C ATOM 499 CD1 PHE A 30 3.221 -3.161 1.358 1.00 0.00 C ATOM 500 CD2 PHE A 30 1.272 -4.598 1.474 1.00 0.00 C ATOM 501 CE1 PHE A 30 3.888 -4.120 0.591 1.00 0.00 C ATOM 502 CE2 PHE A 30 1.941 -5.559 0.707 1.00 0.00 C ATOM 503 CZ PHE A 30 3.251 -5.319 0.265 1.00 0.00 C ATOM 0 H PHE A 30 0.916 -3.755 4.665 1.00 0.00 H new ATOM 0 HA PHE A 30 3.046 -2.178 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.187 -2.666 2.852 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.119 -1.416 2.052 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.716 -2.235 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.263 -4.782 1.812 1.00 0.00 H new ATOM 0 HE1 PHE A 30 4.896 -3.934 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.448 -6.486 0.455 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.766 -6.061 -0.327 1.00 0.00 H new ATOM 513 N ILE A 31 0.427 -0.389 4.755 1.00 0.00 N ATOM 514 CA ILE A 31 0.027 0.944 5.226 1.00 0.00 C ATOM 515 C ILE A 31 0.853 1.375 6.452 1.00 0.00 C ATOM 516 O ILE A 31 1.314 2.519 6.515 1.00 0.00 O ATOM 517 CB ILE A 31 -1.486 0.960 5.551 1.00 0.00 C ATOM 518 CG1 ILE A 31 -2.293 0.681 4.257 1.00 0.00 C ATOM 519 CG2 ILE A 31 -1.885 2.334 6.123 1.00 0.00 C ATOM 520 CD1 ILE A 31 -3.806 0.656 4.542 1.00 0.00 C ATOM 0 H ILE A 31 -0.334 -1.067 4.712 1.00 0.00 H new ATOM 0 HA ILE A 31 0.223 1.661 4.429 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.704 0.190 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.072 1.448 3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.984 -0.274 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.951 2.338 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.320 2.527 7.035 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.667 3.111 5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.347 0.458 3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.027 -0.128 5.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.116 1.620 4.945 1.00 0.00 H new ATOM 532 N ARG A 32 1.037 0.461 7.414 1.00 0.00 N ATOM 533 CA ARG A 32 1.812 0.775 8.622 1.00 0.00 C ATOM 534 C ARG A 32 3.261 1.121 8.263 1.00 0.00 C ATOM 535 O ARG A 32 3.795 2.146 8.710 1.00 0.00 O ATOM 536 CB ARG A 32 1.783 -0.422 9.589 1.00 0.00 C ATOM 537 CG ARG A 32 2.476 -0.050 10.912 1.00 0.00 C ATOM 538 CD ARG A 32 2.457 -1.252 11.863 1.00 0.00 C ATOM 539 NE ARG A 32 3.001 -0.872 13.170 1.00 0.00 N ATOM 540 CZ ARG A 32 3.060 -1.729 14.193 1.00 0.00 C ATOM 541 NH1 ARG A 32 2.628 -2.955 14.061 1.00 0.00 N ATOM 542 NH2 ARG A 32 3.551 -1.340 15.333 1.00 0.00 N ATOM 0 H ARG A 32 0.666 -0.489 7.381 1.00 0.00 H new ATOM 0 HA ARG A 32 1.361 1.641 9.106 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.752 -0.720 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.283 -1.278 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.504 0.258 10.721 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.970 0.798 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.437 -1.618 11.978 1.00 0.00 H new ATOM 0 HD3 ARG A 32 3.043 -2.068 11.441 1.00 0.00 H new ATOM 0 HE ARG A 32 3.346 0.079 13.303 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.241 -3.266 13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.678 -3.601 14.849 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.889 -0.384 15.443 1.00 0.00 H new ATOM 0 HH22 ARG A 32 3.598 -1.991 16.117 1.00 0.00 H new ATOM 556 N SER A 33 3.888 0.267 7.446 1.00 0.00 N ATOM 557 CA SER A 33 5.271 0.495 7.023 1.00 0.00 C ATOM 558 C SER A 33 5.371 1.776 6.195 1.00 0.00 C ATOM 559 O SER A 33 6.429 2.405 6.148 1.00 0.00 O ATOM 560 CB SER A 33 5.792 -0.695 6.207 1.00 0.00 C ATOM 561 OG SER A 33 5.074 -0.794 4.984 1.00 0.00 O ATOM 0 H SER A 33 3.463 -0.580 7.068 1.00 0.00 H new ATOM 0 HA SER A 33 5.886 0.601 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.856 -0.571 6.005 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.681 -1.616 6.779 1.00 0.00 H new ATOM 0 HG SER A 33 4.207 -0.346 5.076 1.00 0.00 H new ATOM 567 N LEU A 34 4.262 2.146 5.544 1.00 0.00 N ATOM 568 CA LEU A 34 4.220 3.351 4.717 1.00 0.00 C ATOM 569 C LEU A 34 4.497 4.579 5.580 1.00 0.00 C ATOM 570 O LEU A 34 5.316 5.430 5.224 1.00 0.00 O ATOM 571 CB LEU A 34 2.831 3.477 4.059 1.00 0.00 C ATOM 572 CG LEU A 34 2.948 4.005 2.616 1.00 0.00 C ATOM 573 CD1 LEU A 34 1.958 3.247 1.713 1.00 0.00 C ATOM 574 CD2 LEU A 34 2.633 5.513 2.585 1.00 0.00 C ATOM 0 H LEU A 34 3.384 1.627 5.576 1.00 0.00 H new ATOM 0 HA LEU A 34 4.982 3.282 3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.337 2.505 4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.206 4.150 4.646 1.00 0.00 H new ATOM 0 HG LEU A 34 3.964 3.847 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.039 3.619 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.191 2.182 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.942 3.402 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.717 5.881 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.619 5.680 2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.340 6.045 3.222 1.00 0.00 H new ATOM 586 N TYR A 35 3.816 4.649 6.727 1.00 0.00 N ATOM 587 CA TYR A 35 3.999 5.761 7.656 1.00 0.00 C ATOM 588 C TYR A 35 5.430 5.758 8.195 1.00 0.00 C ATOM 589 O TYR A 35 6.065 6.810 8.300 1.00 0.00 O ATOM 590 CB TYR A 35 2.998 5.647 8.817 1.00 0.00 C ATOM 591 CG TYR A 35 3.090 6.878 9.700 1.00 0.00 C ATOM 592 CD1 TYR A 35 2.368 8.034 9.370 1.00 0.00 C ATOM 593 CD2 TYR A 35 3.895 6.862 10.848 1.00 0.00 C ATOM 594 CE1 TYR A 35 2.453 9.171 10.184 1.00 0.00 C ATOM 595 CE2 TYR A 35 3.978 8.000 11.662 1.00 0.00 C ATOM 596 CZ TYR A 35 3.258 9.153 11.330 1.00 0.00 C ATOM 597 OH TYR A 35 3.341 10.272 12.132 1.00 0.00 O ATOM 0 H TYR A 35 3.137 3.951 7.031 1.00 0.00 H new ATOM 0 HA TYR A 35 3.821 6.698 7.128 1.00 0.00 H new ATOM 0 HB2 TYR A 35 1.985 5.543 8.427 1.00 0.00 H new ATOM 0 HB3 TYR A 35 3.207 4.752 9.403 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.746 8.048 8.487 1.00 0.00 H new ATOM 0 HD2 TYR A 35 4.451 5.973 11.105 1.00 0.00 H new ATOM 0 HE1 TYR A 35 1.898 10.061 9.928 1.00 0.00 H new ATOM 0 HE2 TYR A 35 4.598 7.987 12.546 1.00 0.00 H new ATOM 0 HH TYR A 35 3.941 10.091 12.886 1.00 0.00 H new ATOM 607 N ASP A 36 5.923 4.563 8.536 1.00 0.00 N ATOM 608 CA ASP A 36 7.281 4.412 9.068 1.00 0.00 C ATOM 609 C ASP A 36 8.339 4.803 8.029 1.00 0.00 C ATOM 610 O ASP A 36 9.380 5.365 8.381 1.00 0.00 O ATOM 611 CB ASP A 36 7.511 2.961 9.511 1.00 0.00 C ATOM 612 CG ASP A 36 8.852 2.843 10.240 1.00 0.00 C ATOM 613 OD1 ASP A 36 9.855 2.662 9.568 1.00 0.00 O ATOM 614 OD2 ASP A 36 8.857 2.945 11.456 1.00 0.00 O ATOM 0 H ASP A 36 5.404 3.689 8.453 1.00 0.00 H new ATOM 0 HA ASP A 36 7.379 5.081 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 36 6.702 2.640 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 36 7.500 2.301 8.644 1.00 0.00 H new ATOM 619 N ASP A 37 8.070 4.481 6.756 1.00 0.00 N ATOM 620 CA ASP A 37 9.004 4.776 5.659 1.00 0.00 C ATOM 621 C ASP A 37 8.244 5.310 4.430 1.00 0.00 C ATOM 622 O ASP A 37 8.003 4.571 3.467 1.00 0.00 O ATOM 623 CB ASP A 37 9.785 3.500 5.286 1.00 0.00 C ATOM 624 CG ASP A 37 10.669 3.034 6.447 1.00 0.00 C ATOM 625 OD1 ASP A 37 11.441 3.837 6.950 1.00 0.00 O ATOM 626 OD2 ASP A 37 10.574 1.875 6.799 1.00 0.00 O ATOM 0 H ASP A 37 7.212 4.016 6.460 1.00 0.00 H new ATOM 0 HA ASP A 37 9.704 5.543 5.990 1.00 0.00 H new ATOM 0 HB2 ASP A 37 9.086 2.708 5.017 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.403 3.692 4.409 1.00 0.00 H new ATOM 631 N PRO A 38 7.860 6.575 4.440 1.00 0.00 N ATOM 632 CA PRO A 38 7.108 7.196 3.300 1.00 0.00 C ATOM 633 C PRO A 38 7.914 7.175 1.999 1.00 0.00 C ATOM 634 O PRO A 38 7.355 7.304 0.908 1.00 0.00 O ATOM 635 CB PRO A 38 6.835 8.633 3.768 1.00 0.00 C ATOM 636 CG PRO A 38 7.815 8.897 4.863 1.00 0.00 C ATOM 637 CD PRO A 38 8.102 7.549 5.522 1.00 0.00 C ATOM 0 HA PRO A 38 6.194 6.650 3.069 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.963 9.342 2.950 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.811 8.740 4.126 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.730 9.338 4.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 7.408 9.604 5.586 1.00 0.00 H new ATOM 0 HD2 PRO A 38 9.126 7.493 5.890 1.00 0.00 H new ATOM 0 HD3 PRO A 38 7.447 7.372 6.375 1.00 0.00 H new ATOM 645 N SER A 39 9.228 7.021 2.129 1.00 0.00 N ATOM 646 CA SER A 39 10.120 6.991 0.973 1.00 0.00 C ATOM 647 C SER A 39 9.800 5.824 0.028 1.00 0.00 C ATOM 648 O SER A 39 10.055 5.923 -1.176 1.00 0.00 O ATOM 649 CB SER A 39 11.573 6.881 1.446 1.00 0.00 C ATOM 650 OG SER A 39 11.865 7.954 2.333 1.00 0.00 O ATOM 0 H SER A 39 9.701 6.915 3.026 1.00 0.00 H new ATOM 0 HA SER A 39 9.972 7.918 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 39 11.732 5.927 1.948 1.00 0.00 H new ATOM 0 HB3 SER A 39 12.248 6.908 0.591 1.00 0.00 H new ATOM 0 HG SER A 39 12.794 7.883 2.637 1.00 0.00 H new ATOM 656 N GLN A 40 9.280 4.712 0.575 1.00 0.00 N ATOM 657 CA GLN A 40 8.979 3.523 -0.241 1.00 0.00 C ATOM 658 C GLN A 40 7.496 3.424 -0.619 1.00 0.00 C ATOM 659 O GLN A 40 7.096 2.430 -1.221 1.00 0.00 O ATOM 660 CB GLN A 40 9.368 2.241 0.527 1.00 0.00 C ATOM 661 CG GLN A 40 10.767 2.370 1.152 1.00 0.00 C ATOM 662 CD GLN A 40 11.826 2.633 0.078 1.00 0.00 C ATOM 663 OE1 GLN A 40 11.942 1.874 -0.884 1.00 0.00 O ATOM 664 NE2 GLN A 40 12.612 3.669 0.189 1.00 0.00 N ATOM 0 H GLN A 40 9.062 4.611 1.566 1.00 0.00 H new ATOM 0 HA GLN A 40 9.561 3.623 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 40 8.634 2.046 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 40 9.347 1.387 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.771 3.183 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 40 11.013 1.457 1.694 1.00 0.00 H new ATOM 0 HE21 GLN A 40 12.517 4.299 0.986 1.00 0.00 H new ATOM 0 HE22 GLN A 40 13.322 3.849 -0.521 1.00 0.00 H new ATOM 673 N SER A 41 6.683 4.428 -0.254 1.00 0.00 N ATOM 674 CA SER A 41 5.233 4.394 -0.546 1.00 0.00 C ATOM 675 C SER A 41 4.941 3.919 -1.975 1.00 0.00 C ATOM 676 O SER A 41 4.008 3.136 -2.195 1.00 0.00 O ATOM 677 CB SER A 41 4.614 5.779 -0.334 1.00 0.00 C ATOM 678 OG SER A 41 4.960 6.258 0.956 1.00 0.00 O ATOM 0 H SER A 41 6.995 5.265 0.238 1.00 0.00 H new ATOM 0 HA SER A 41 4.786 3.679 0.144 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.971 6.470 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 41 3.530 5.724 -0.435 1.00 0.00 H new ATOM 0 HG SER A 41 5.664 6.935 0.876 1.00 0.00 H new ATOM 684 N ALA A 42 5.750 4.374 -2.931 1.00 0.00 N ATOM 685 CA ALA A 42 5.578 3.970 -4.325 1.00 0.00 C ATOM 686 C ALA A 42 5.887 2.478 -4.487 1.00 0.00 C ATOM 687 O ALA A 42 5.123 1.735 -5.113 1.00 0.00 O ATOM 688 CB ALA A 42 6.507 4.792 -5.226 1.00 0.00 C ATOM 0 H ALA A 42 6.525 5.017 -2.768 1.00 0.00 H new ATOM 0 HA ALA A 42 4.543 4.150 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.373 4.485 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.267 5.851 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.543 4.626 -4.929 1.00 0.00 H new ATOM 694 N ASN A 43 7.012 2.050 -3.909 1.00 0.00 N ATOM 695 CA ASN A 43 7.421 0.649 -3.986 1.00 0.00 C ATOM 696 C ASN A 43 6.410 -0.252 -3.285 1.00 0.00 C ATOM 697 O ASN A 43 6.061 -1.309 -3.804 1.00 0.00 O ATOM 698 CB ASN A 43 8.800 0.455 -3.335 1.00 0.00 C ATOM 699 CG ASN A 43 9.886 1.236 -4.081 1.00 0.00 C ATOM 700 OD1 ASN A 43 9.674 1.715 -5.197 1.00 0.00 O ATOM 701 ND2 ASN A 43 11.052 1.383 -3.520 1.00 0.00 N ATOM 0 H ASN A 43 7.651 2.650 -3.387 1.00 0.00 H new ATOM 0 HA ASN A 43 7.473 0.377 -5.040 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.763 0.783 -2.296 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.054 -0.605 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 43 11.790 1.895 -4.004 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.227 0.987 -2.597 1.00 0.00 H new ATOM 708 N LEU A 44 5.953 0.168 -2.098 1.00 0.00 N ATOM 709 CA LEU A 44 4.991 -0.618 -1.320 1.00 0.00 C ATOM 710 C LEU A 44 3.714 -0.873 -2.123 1.00 0.00 C ATOM 711 O LEU A 44 3.174 -1.979 -2.096 1.00 0.00 O ATOM 712 CB LEU A 44 4.630 0.113 -0.027 1.00 0.00 C ATOM 713 CG LEU A 44 5.868 0.320 0.887 1.00 0.00 C ATOM 714 CD1 LEU A 44 5.427 0.987 2.194 1.00 0.00 C ATOM 715 CD2 LEU A 44 6.547 -1.020 1.213 1.00 0.00 C ATOM 0 H LEU A 44 6.234 1.044 -1.658 1.00 0.00 H new ATOM 0 HA LEU A 44 5.458 -1.574 -1.083 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.191 1.081 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.872 -0.456 0.512 1.00 0.00 H new ATOM 0 HG LEU A 44 6.582 0.952 0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.294 1.134 2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.971 1.952 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.702 0.350 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.411 -0.844 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.840 -1.671 1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.873 -1.497 0.289 1.00 0.00 H new ATOM 727 N LEU A 45 3.249 0.153 -2.852 1.00 0.00 N ATOM 728 CA LEU A 45 2.044 0.020 -3.686 1.00 0.00 C ATOM 729 C LEU A 45 2.276 -1.056 -4.750 1.00 0.00 C ATOM 730 O LEU A 45 1.433 -1.934 -4.961 1.00 0.00 O ATOM 731 CB LEU A 45 1.725 1.375 -4.345 1.00 0.00 C ATOM 732 CG LEU A 45 0.673 1.228 -5.472 1.00 0.00 C ATOM 733 CD1 LEU A 45 -0.646 0.677 -4.913 1.00 0.00 C ATOM 734 CD2 LEU A 45 0.415 2.600 -6.114 1.00 0.00 C ATOM 0 H LEU A 45 3.684 1.075 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 45 1.196 -0.277 -3.068 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.356 2.069 -3.590 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.639 1.805 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 45 1.058 0.532 -6.218 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.372 0.581 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.471 -0.301 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.033 1.359 -4.156 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.325 2.497 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.043 3.291 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.344 2.986 -6.533 1.00 0.00 H new ATOM 746 N ALA A 46 3.442 -0.984 -5.388 1.00 0.00 N ATOM 747 CA ALA A 46 3.813 -1.966 -6.411 1.00 0.00 C ATOM 748 C ALA A 46 3.939 -3.350 -5.771 1.00 0.00 C ATOM 749 O ALA A 46 3.460 -4.351 -6.312 1.00 0.00 O ATOM 750 CB ALA A 46 5.144 -1.573 -7.058 1.00 0.00 C ATOM 0 H ALA A 46 4.143 -0.263 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 46 3.040 -1.990 -7.179 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.411 -2.309 -7.817 1.00 0.00 H new ATOM 0 HB2 ALA A 46 5.047 -0.592 -7.522 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.923 -1.538 -6.296 1.00 0.00 H new ATOM 756 N GLU A 47 4.582 -3.378 -4.604 1.00 0.00 N ATOM 757 CA GLU A 47 4.785 -4.613 -3.850 1.00 0.00 C ATOM 758 C GLU A 47 3.446 -5.236 -3.454 1.00 0.00 C ATOM 759 O GLU A 47 3.296 -6.460 -3.472 1.00 0.00 O ATOM 760 CB GLU A 47 5.602 -4.309 -2.585 1.00 0.00 C ATOM 761 CG GLU A 47 7.089 -4.118 -2.944 1.00 0.00 C ATOM 762 CD GLU A 47 7.705 -5.438 -3.426 1.00 0.00 C ATOM 763 OE1 GLU A 47 7.699 -6.394 -2.663 1.00 0.00 O ATOM 764 OE2 GLU A 47 8.187 -5.476 -4.548 1.00 0.00 O ATOM 0 H GLU A 47 4.975 -2.549 -4.157 1.00 0.00 H new ATOM 0 HA GLU A 47 5.323 -5.321 -4.481 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.218 -3.410 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.495 -5.124 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.186 -3.360 -3.722 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.634 -3.753 -2.074 1.00 0.00 H new ATOM 771 N ALA A 48 2.479 -4.387 -3.101 1.00 0.00 N ATOM 772 CA ALA A 48 1.157 -4.867 -2.706 1.00 0.00 C ATOM 773 C ALA A 48 0.496 -5.579 -3.878 1.00 0.00 C ATOM 774 O ALA A 48 -0.079 -6.659 -3.721 1.00 0.00 O ATOM 775 CB ALA A 48 0.286 -3.692 -2.258 1.00 0.00 C ATOM 0 H ALA A 48 2.586 -3.373 -3.081 1.00 0.00 H new ATOM 0 HA ALA A 48 1.267 -5.565 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.698 -4.059 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.755 -3.194 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.179 -2.984 -3.080 1.00 0.00 H new ATOM 781 N LYS A 49 0.597 -4.964 -5.056 1.00 0.00 N ATOM 782 CA LYS A 49 0.021 -5.539 -6.266 1.00 0.00 C ATOM 783 C LYS A 49 0.697 -6.878 -6.575 1.00 0.00 C ATOM 784 O LYS A 49 0.054 -7.809 -7.065 1.00 0.00 O ATOM 785 CB LYS A 49 0.206 -4.574 -7.445 1.00 0.00 C ATOM 786 CG LYS A 49 -0.985 -4.695 -8.408 1.00 0.00 C ATOM 787 CD LYS A 49 -0.638 -4.029 -9.750 1.00 0.00 C ATOM 788 CE LYS A 49 -1.890 -3.379 -10.353 1.00 0.00 C ATOM 789 NZ LYS A 49 -1.596 -2.929 -11.743 1.00 0.00 N ATOM 0 H LYS A 49 1.071 -4.072 -5.196 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.045 -5.705 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 0.288 -3.550 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.134 -4.800 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.232 -5.745 -8.565 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.866 -4.222 -7.973 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.137 -3.277 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.235 -4.771 -10.440 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.716 -4.090 -10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.202 -2.531 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.445 -2.488 -12.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.820 -2.237 -11.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.318 -3.747 -12.321 1.00 0.00 H new ATOM 803 N LYS A 50 2.005 -6.954 -6.285 1.00 0.00 N ATOM 804 CA LYS A 50 2.784 -8.167 -6.526 1.00 0.00 C ATOM 805 C LYS A 50 2.211 -9.340 -5.731 1.00 0.00 C ATOM 806 O LYS A 50 2.016 -10.432 -6.276 1.00 0.00 O ATOM 807 CB LYS A 50 4.241 -7.920 -6.116 1.00 0.00 C ATOM 808 CG LYS A 50 5.131 -9.076 -6.596 1.00 0.00 C ATOM 809 CD LYS A 50 6.608 -8.723 -6.361 1.00 0.00 C ATOM 810 CE LYS A 50 6.963 -8.868 -4.874 1.00 0.00 C ATOM 811 NZ LYS A 50 8.372 -8.429 -4.655 1.00 0.00 N ATOM 0 H LYS A 50 2.542 -6.185 -5.883 1.00 0.00 H new ATOM 0 HA LYS A 50 2.737 -8.416 -7.586 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.592 -6.980 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 50 4.310 -7.824 -5.032 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.876 -9.991 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.957 -9.267 -7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.244 -9.376 -6.959 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.801 -7.702 -6.690 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.285 -8.268 -4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.840 -9.904 -4.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.641 -8.606 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.004 -8.962 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.455 -7.413 -4.860 1.00 0.00 H new ATOM 825 N LEU A 51 1.929 -9.100 -4.444 1.00 0.00 N ATOM 826 CA LEU A 51 1.359 -10.137 -3.580 1.00 0.00 C ATOM 827 C LEU A 51 -0.018 -10.546 -4.092 1.00 0.00 C ATOM 828 O LEU A 51 -0.362 -11.730 -4.087 1.00 0.00 O ATOM 829 CB LEU A 51 1.269 -9.626 -2.128 1.00 0.00 C ATOM 830 CG LEU A 51 2.612 -9.865 -1.408 1.00 0.00 C ATOM 831 CD1 LEU A 51 2.661 -9.048 -0.112 1.00 0.00 C ATOM 832 CD2 LEU A 51 2.773 -11.360 -1.080 1.00 0.00 C ATOM 0 H LEU A 51 2.085 -8.204 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 51 2.009 -11.012 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.026 -8.564 -2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.466 -10.141 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 51 3.425 -9.551 -2.063 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.612 -9.221 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.562 -7.988 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.844 -9.353 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.724 -11.521 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.957 -11.680 -0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.753 -11.939 -2.003 1.00 0.00 H new ATOM 844 N ASN A 52 -0.787 -9.558 -4.552 1.00 0.00 N ATOM 845 CA ASN A 52 -2.122 -9.810 -5.094 1.00 0.00 C ATOM 846 C ASN A 52 -2.024 -10.700 -6.335 1.00 0.00 C ATOM 847 O ASN A 52 -2.744 -11.694 -6.453 1.00 0.00 O ATOM 848 CB ASN A 52 -2.792 -8.462 -5.431 1.00 0.00 C ATOM 849 CG ASN A 52 -3.800 -8.593 -6.580 1.00 0.00 C ATOM 850 OD1 ASN A 52 -3.428 -8.482 -7.749 1.00 0.00 O ATOM 851 ND2 ASN A 52 -5.055 -8.821 -6.315 1.00 0.00 N ATOM 0 H ASN A 52 -0.508 -8.577 -4.560 1.00 0.00 H new ATOM 0 HA ASN A 52 -2.730 -10.331 -4.355 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -3.299 -8.078 -4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -2.027 -7.734 -5.701 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.729 -8.908 -7.075 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.363 -8.913 -5.347 1.00 0.00 H new ATOM 858 N ASP A 53 -1.127 -10.326 -7.251 1.00 0.00 N ATOM 859 CA ASP A 53 -0.930 -11.083 -8.487 1.00 0.00 C ATOM 860 C ASP A 53 -0.453 -12.501 -8.192 1.00 0.00 C ATOM 861 O ASP A 53 -0.844 -13.450 -8.878 1.00 0.00 O ATOM 862 CB ASP A 53 0.101 -10.370 -9.370 1.00 0.00 C ATOM 863 CG ASP A 53 0.205 -11.055 -10.737 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.608 -10.750 -11.595 1.00 0.00 O ATOM 865 OD2 ASP A 53 1.094 -11.877 -10.902 1.00 0.00 O ATOM 0 H ASP A 53 -0.528 -9.506 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.886 -11.142 -9.007 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.184 -9.326 -9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.074 -10.376 -8.879 1.00 0.00 H new ATOM 870 N ALA A 54 0.415 -12.631 -7.187 1.00 0.00 N ATOM 871 CA ALA A 54 0.968 -13.932 -6.828 1.00 0.00 C ATOM 872 C ALA A 54 -0.065 -14.818 -6.117 1.00 0.00 C ATOM 873 O ALA A 54 -0.266 -15.974 -6.500 1.00 0.00 O ATOM 874 CB ALA A 54 2.192 -13.741 -5.924 1.00 0.00 C ATOM 0 H ALA A 54 0.746 -11.856 -6.613 1.00 0.00 H new ATOM 0 HA ALA A 54 1.258 -14.435 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.603 -14.715 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.948 -13.161 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.896 -13.212 -5.018 1.00 0.00 H new ATOM 880 N GLN A 55 -0.704 -14.270 -5.077 1.00 0.00 N ATOM 881 CA GLN A 55 -1.706 -15.016 -4.302 1.00 0.00 C ATOM 882 C GLN A 55 -2.946 -15.341 -5.141 1.00 0.00 C ATOM 883 O GLN A 55 -3.642 -16.322 -4.863 1.00 0.00 O ATOM 884 CB GLN A 55 -2.116 -14.220 -3.050 1.00 0.00 C ATOM 885 CG GLN A 55 -0.920 -14.089 -2.097 1.00 0.00 C ATOM 886 CD GLN A 55 -1.191 -12.976 -1.093 1.00 0.00 C ATOM 887 OE1 GLN A 55 -1.149 -13.197 0.117 1.00 0.00 O ATOM 888 NE2 GLN A 55 -1.470 -11.782 -1.535 1.00 0.00 N ATOM 0 H GLN A 55 -0.547 -13.316 -4.752 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.249 -15.958 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.472 -13.231 -3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.941 -14.721 -2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.752 -15.031 -1.575 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.013 -13.871 -2.662 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.503 -11.605 -2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.655 -11.025 -0.877 1.00 0.00 H new ATOM 897 N ALA A 56 -3.225 -14.508 -6.154 1.00 0.00 N ATOM 898 CA ALA A 56 -4.396 -14.704 -7.021 1.00 0.00 C ATOM 899 C ALA A 56 -4.403 -16.110 -7.649 1.00 0.00 C ATOM 900 O ALA A 56 -3.339 -16.681 -7.908 1.00 0.00 O ATOM 901 CB ALA A 56 -4.404 -13.650 -8.137 1.00 0.00 C ATOM 0 H ALA A 56 -2.658 -13.695 -6.393 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.288 -14.598 -6.403 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.275 -13.802 -8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.447 -12.654 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.496 -13.745 -8.733 1.00 0.00 H new ATOM 907 N PRO A 57 -5.577 -16.670 -7.896 1.00 0.00 N ATOM 908 CA PRO A 57 -5.714 -18.031 -8.503 1.00 0.00 C ATOM 909 C PRO A 57 -5.250 -18.059 -9.961 1.00 0.00 C ATOM 910 O PRO A 57 -5.202 -17.019 -10.623 1.00 0.00 O ATOM 911 CB PRO A 57 -7.214 -18.343 -8.389 1.00 0.00 C ATOM 912 CG PRO A 57 -7.892 -17.017 -8.291 1.00 0.00 C ATOM 913 CD PRO A 57 -6.897 -16.064 -7.629 1.00 0.00 C ATOM 0 HA PRO A 57 -5.091 -18.768 -7.996 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.566 -18.900 -9.257 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.422 -18.956 -7.512 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -8.177 -16.654 -9.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.806 -17.092 -7.702 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.967 -15.061 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.084 -15.974 -6.559 1.00 0.00 H new ATOM 921 N LYS A 58 -4.906 -19.262 -10.435 1.00 0.00 N ATOM 922 CA LYS A 58 -4.434 -19.471 -11.817 1.00 0.00 C ATOM 923 C LYS A 58 -3.082 -18.775 -12.078 1.00 0.00 C ATOM 924 O LYS A 58 -2.555 -18.942 -13.170 1.00 0.00 O ATOM 925 CB LYS A 58 -5.488 -18.975 -12.830 1.00 0.00 C ATOM 926 CG LYS A 58 -6.809 -19.743 -12.636 1.00 0.00 C ATOM 927 CD LYS A 58 -7.799 -19.388 -13.758 1.00 0.00 C ATOM 928 CE LYS A 58 -8.286 -17.940 -13.602 1.00 0.00 C ATOM 929 NZ LYS A 58 -9.232 -17.616 -14.707 1.00 0.00 N ATOM 930 OXT LYS A 58 -2.584 -18.097 -11.190 1.00 0.00 O ATOM 0 H LYS A 58 -4.945 -20.116 -9.879 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.286 -20.543 -11.948 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.657 -17.906 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.122 -19.116 -13.847 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.618 -20.816 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.243 -19.496 -11.667 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.320 -19.515 -14.729 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.649 -20.070 -13.731 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.778 -17.812 -12.638 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.438 -17.255 -13.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.564 -16.636 -14.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.748 -17.723 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -10.046 -18.263 -14.668 1.00 0.00 H new TER 944 LYS A 58