USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 733 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 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 87 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 47 MET CE :methyl -159:sc= -0.114 (180deg=-0.659) USER MOD Set 2.2: A 50 CYS SG : rot 29:sc= 0.038 USER MOD Single : A 3 TYR OH : rot -179:sc= 1.29 USER MOD Single : A 13 LYS NZ :NH3+ 160:sc= 1.35 (180deg=0.967) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0.872 (180deg=0.834) USER MOD Single : A 20 SER OG : rot 180:sc= 0.02 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -4.41! K(o=-4.4!,f=-0.085) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.26 (180deg=0.847) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= 1.07 (180deg=0.228) USER MOD Single : A 36 SER OG : rot 180:sc= -0.031 USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 43 LYS NZ :NH3+ -129:sc= -0.5 (180deg=-2.45!) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0284 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 15:sc= -1.61! USER MOD Single : A 65 GLN : amide:sc= -1.25 X(o=-1.2,f=-1.4) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 100:sc= -0.0682 USER MOD Single : A 80 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000103) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 2 9.550 13.235 -3.727 1.00 0.00 N ATOM 19 CA ALA A 2 8.371 12.505 -4.116 1.00 0.00 C ATOM 20 C ALA A 2 8.784 11.179 -4.692 1.00 0.00 C ATOM 21 O ALA A 2 9.911 11.029 -5.173 1.00 0.00 O ATOM 22 CB ALA A 2 7.556 13.283 -5.129 1.00 0.00 C ATOM 0 HA ALA A 2 7.746 12.349 -3.237 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.672 12.707 -5.404 1.00 0.00 H new ATOM 0 HB2 ALA A 2 7.249 14.235 -4.695 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.160 13.467 -6.017 1.00 0.00 H new ATOM 28 N TYR A 3 7.913 10.226 -4.615 1.00 0.00 N ATOM 29 CA TYR A 3 8.168 8.906 -5.142 1.00 0.00 C ATOM 30 C TYR A 3 7.121 8.589 -6.194 1.00 0.00 C ATOM 31 O TYR A 3 6.199 9.385 -6.423 1.00 0.00 O ATOM 32 CB TYR A 3 8.100 7.834 -4.031 1.00 0.00 C ATOM 33 CG TYR A 3 9.194 7.863 -2.962 1.00 0.00 C ATOM 34 CD1 TYR A 3 9.434 8.991 -2.184 1.00 0.00 C ATOM 35 CD2 TYR A 3 9.965 6.734 -2.718 1.00 0.00 C ATOM 36 CE1 TYR A 3 10.406 8.992 -1.202 1.00 0.00 C ATOM 37 CE2 TYR A 3 10.931 6.724 -1.731 1.00 0.00 C ATOM 38 CZ TYR A 3 11.145 7.853 -0.975 1.00 0.00 C ATOM 39 OH TYR A 3 12.100 7.842 0.017 1.00 0.00 O ATOM 0 H TYR A 3 6.995 10.333 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 3 9.170 8.893 -5.572 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.136 7.927 -3.530 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.119 6.853 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 3 8.849 9.883 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.806 5.846 -3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 3 10.585 9.881 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 3 11.516 5.834 -1.554 1.00 0.00 H new ATOM 0 HH TYR A 3 12.541 6.967 0.037 1.00 0.00 H new ATOM 49 N PHE A 4 7.273 7.460 -6.825 1.00 0.00 N ATOM 50 CA PHE A 4 6.309 6.959 -7.782 1.00 0.00 C ATOM 51 C PHE A 4 5.356 6.032 -7.049 1.00 0.00 C ATOM 52 O PHE A 4 5.686 5.553 -5.979 1.00 0.00 O ATOM 53 CB PHE A 4 7.026 6.183 -8.894 1.00 0.00 C ATOM 54 CG PHE A 4 7.952 7.016 -9.724 1.00 0.00 C ATOM 55 CD1 PHE A 4 9.277 7.186 -9.356 1.00 0.00 C ATOM 56 CD2 PHE A 4 7.499 7.630 -10.872 1.00 0.00 C ATOM 57 CE1 PHE A 4 10.127 7.952 -10.114 1.00 0.00 C ATOM 58 CE2 PHE A 4 8.344 8.395 -11.637 1.00 0.00 C ATOM 59 CZ PHE A 4 9.663 8.557 -11.256 1.00 0.00 C ATOM 0 H PHE A 4 8.078 6.848 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 4 5.765 7.789 -8.233 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.593 5.367 -8.445 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.279 5.731 -9.546 1.00 0.00 H new ATOM 0 HD1 PHE A 4 9.646 6.709 -8.460 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.469 7.508 -11.173 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.157 8.078 -9.813 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.979 8.870 -12.536 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.328 9.159 -11.857 1.00 0.00 H new ATOM 69 N LEU A 5 4.198 5.797 -7.591 1.00 0.00 N ATOM 70 CA LEU A 5 3.247 4.892 -6.967 1.00 0.00 C ATOM 71 C LEU A 5 2.854 3.845 -8.008 1.00 0.00 C ATOM 72 O LEU A 5 2.545 4.203 -9.158 1.00 0.00 O ATOM 73 CB LEU A 5 2.003 5.698 -6.493 1.00 0.00 C ATOM 74 CG LEU A 5 1.074 5.081 -5.400 1.00 0.00 C ATOM 75 CD1 LEU A 5 0.433 3.777 -5.821 1.00 0.00 C ATOM 76 CD2 LEU A 5 1.814 4.904 -4.096 1.00 0.00 C ATOM 0 H LEU A 5 3.878 6.214 -8.465 1.00 0.00 H new ATOM 0 HA LEU A 5 3.681 4.400 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.356 6.660 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 5 1.389 5.902 -7.370 1.00 0.00 H new ATOM 0 HG LEU A 5 0.264 5.797 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.199 3.405 -5.014 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.174 3.941 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.209 3.044 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.143 4.473 -3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.664 4.239 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.170 5.873 -3.745 1.00 0.00 H new ATOM 88 N ASP A 6 2.900 2.579 -7.651 1.00 0.00 N ATOM 89 CA ASP A 6 2.462 1.524 -8.559 1.00 0.00 C ATOM 90 C ASP A 6 1.813 0.400 -7.757 1.00 0.00 C ATOM 91 O ASP A 6 2.045 0.295 -6.553 1.00 0.00 O ATOM 92 CB ASP A 6 3.621 1.012 -9.429 1.00 0.00 C ATOM 93 CG ASP A 6 3.127 0.242 -10.630 1.00 0.00 C ATOM 94 OD1 ASP A 6 2.322 0.805 -11.406 1.00 0.00 O ATOM 95 OD2 ASP A 6 3.544 -0.908 -10.854 1.00 0.00 O ATOM 0 H ASP A 6 3.233 2.250 -6.745 1.00 0.00 H new ATOM 0 HA ASP A 6 1.720 1.933 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.225 1.856 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.270 0.373 -8.830 1.00 0.00 H new ATOM 100 N PHE A 7 0.987 -0.408 -8.392 1.00 0.00 N ATOM 101 CA PHE A 7 0.242 -1.444 -7.685 1.00 0.00 C ATOM 102 C PHE A 7 0.602 -2.845 -8.178 1.00 0.00 C ATOM 103 O PHE A 7 0.854 -3.057 -9.377 1.00 0.00 O ATOM 104 CB PHE A 7 -1.268 -1.252 -7.882 1.00 0.00 C ATOM 105 CG PHE A 7 -1.849 0.057 -7.410 1.00 0.00 C ATOM 106 CD1 PHE A 7 -1.851 1.173 -8.235 1.00 0.00 C ATOM 107 CD2 PHE A 7 -2.415 0.162 -6.154 1.00 0.00 C ATOM 108 CE1 PHE A 7 -2.401 2.365 -7.810 1.00 0.00 C ATOM 109 CE2 PHE A 7 -2.971 1.350 -5.725 1.00 0.00 C ATOM 110 CZ PHE A 7 -2.963 2.453 -6.554 1.00 0.00 C ATOM 0 H PHE A 7 0.811 -0.371 -9.396 1.00 0.00 H new ATOM 0 HA PHE A 7 0.509 -1.352 -6.632 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -1.490 -1.360 -8.944 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -1.785 -2.060 -7.365 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.417 1.108 -9.222 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -2.422 -0.697 -5.499 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.391 3.227 -8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.412 1.416 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.396 3.384 -6.220 1.00 0.00 H new ATOM 120 N ASP A 8 0.618 -3.783 -7.253 1.00 0.00 N ATOM 121 CA ASP A 8 0.805 -5.209 -7.535 1.00 0.00 C ATOM 122 C ASP A 8 -0.510 -5.776 -8.019 1.00 0.00 C ATOM 123 O ASP A 8 -1.557 -5.188 -7.736 1.00 0.00 O ATOM 124 CB ASP A 8 1.235 -5.974 -6.270 1.00 0.00 C ATOM 125 CG ASP A 8 1.545 -7.428 -6.557 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.670 -7.713 -7.011 1.00 0.00 O ATOM 127 OD2 ASP A 8 0.651 -8.307 -6.387 1.00 0.00 O ATOM 0 H ASP A 8 0.500 -3.581 -6.260 1.00 0.00 H new ATOM 0 HA ASP A 8 1.585 -5.319 -8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.114 -5.495 -5.840 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.442 -5.914 -5.524 1.00 0.00 H new ATOM 132 N GLU A 9 -0.476 -6.870 -8.772 1.00 0.00 N ATOM 133 CA GLU A 9 -1.694 -7.502 -9.256 1.00 0.00 C ATOM 134 C GLU A 9 -2.660 -7.812 -8.097 1.00 0.00 C ATOM 135 O GLU A 9 -3.860 -7.625 -8.240 1.00 0.00 O ATOM 136 CB GLU A 9 -1.418 -8.786 -10.053 1.00 0.00 C ATOM 137 CG GLU A 9 -0.741 -9.881 -9.254 1.00 0.00 C ATOM 138 CD GLU A 9 -0.852 -11.221 -9.908 1.00 0.00 C ATOM 139 OE1 GLU A 9 -1.903 -11.856 -9.774 1.00 0.00 O ATOM 140 OE2 GLU A 9 0.107 -11.675 -10.549 1.00 0.00 O ATOM 0 H GLU A 9 0.384 -7.337 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 9 -2.159 -6.783 -9.931 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.361 -9.167 -10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.794 -8.540 -10.912 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.312 -9.631 -9.121 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.185 -9.928 -8.260 1.00 0.00 H new ATOM 147 N ARG A 10 -2.125 -8.240 -6.932 1.00 0.00 N ATOM 148 CA ARG A 10 -2.971 -8.529 -5.775 1.00 0.00 C ATOM 149 C ARG A 10 -3.670 -7.282 -5.330 1.00 0.00 C ATOM 150 O ARG A 10 -4.878 -7.284 -5.109 1.00 0.00 O ATOM 151 CB ARG A 10 -2.185 -9.136 -4.600 1.00 0.00 C ATOM 152 CG ARG A 10 -1.736 -10.574 -4.804 1.00 0.00 C ATOM 153 CD ARG A 10 -2.930 -11.498 -5.037 1.00 0.00 C ATOM 154 NE ARG A 10 -3.909 -11.465 -3.934 1.00 0.00 N ATOM 155 CZ ARG A 10 -5.243 -11.324 -4.071 1.00 0.00 C ATOM 156 NH1 ARG A 10 -5.813 -11.327 -5.279 1.00 0.00 N ATOM 157 NH2 ARG A 10 -5.994 -11.253 -2.987 1.00 0.00 N ATOM 0 H ARG A 10 -1.128 -8.388 -6.778 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.701 -9.274 -6.091 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.306 -8.519 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.804 -9.088 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.059 -10.629 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.177 -10.911 -3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.427 -11.214 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.572 -12.519 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.545 -11.557 -2.985 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.238 -11.437 -6.114 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.824 -11.219 -5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -5.563 -11.305 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.005 -11.146 -3.073 1.00 0.00 H new ATOM 171 N ALA A 11 -2.914 -6.211 -5.260 1.00 0.00 N ATOM 172 CA ALA A 11 -3.432 -4.930 -4.873 1.00 0.00 C ATOM 173 C ALA A 11 -4.482 -4.454 -5.856 1.00 0.00 C ATOM 174 O ALA A 11 -5.521 -4.014 -5.452 1.00 0.00 O ATOM 175 CB ALA A 11 -2.318 -3.912 -4.770 1.00 0.00 C ATOM 0 H ALA A 11 -1.916 -6.210 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.898 -5.039 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.732 -2.948 -4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.594 -4.239 -4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.824 -3.814 -5.737 1.00 0.00 H new ATOM 181 N LEU A 12 -4.214 -4.609 -7.144 1.00 0.00 N ATOM 182 CA LEU A 12 -5.112 -4.141 -8.195 1.00 0.00 C ATOM 183 C LEU A 12 -6.448 -4.839 -8.170 1.00 0.00 C ATOM 184 O LEU A 12 -7.493 -4.193 -8.265 1.00 0.00 O ATOM 185 CB LEU A 12 -4.462 -4.293 -9.562 1.00 0.00 C ATOM 186 CG LEU A 12 -3.391 -3.270 -9.904 1.00 0.00 C ATOM 187 CD1 LEU A 12 -2.686 -3.661 -11.189 1.00 0.00 C ATOM 188 CD2 LEU A 12 -4.023 -1.885 -10.050 1.00 0.00 C ATOM 0 H LEU A 12 -3.369 -5.062 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.299 -3.085 -8.001 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.021 -5.288 -9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.242 -4.242 -10.322 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.658 -3.242 -9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.921 -2.921 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.220 -4.638 -11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.410 -3.705 -12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.250 -1.156 -10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.767 -1.907 -10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.503 -1.603 -9.113 1.00 0.00 H new ATOM 200 N LYS A 13 -6.418 -6.134 -8.028 1.00 0.00 N ATOM 201 CA LYS A 13 -7.626 -6.928 -8.004 1.00 0.00 C ATOM 202 C LYS A 13 -8.493 -6.557 -6.807 1.00 0.00 C ATOM 203 O LYS A 13 -9.705 -6.350 -6.947 1.00 0.00 O ATOM 204 CB LYS A 13 -7.247 -8.400 -8.001 1.00 0.00 C ATOM 205 CG LYS A 13 -6.545 -8.805 -9.281 1.00 0.00 C ATOM 206 CD LYS A 13 -5.806 -10.115 -9.145 1.00 0.00 C ATOM 207 CE LYS A 13 -5.182 -10.502 -10.481 1.00 0.00 C ATOM 208 NZ LYS A 13 -4.444 -11.783 -10.440 1.00 0.00 N ATOM 0 H LYS A 13 -5.559 -6.674 -7.925 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.222 -6.725 -8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.598 -8.606 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.144 -9.006 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.278 -8.887 -10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.842 -8.023 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.031 -10.027 -8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.491 -10.896 -8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.967 -10.569 -11.234 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.503 -9.711 -10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.340 -12.155 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.503 -11.628 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.969 -12.468 -9.860 1.00 0.00 H new ATOM 222 N GLU A 14 -7.869 -6.409 -5.666 1.00 0.00 N ATOM 223 CA GLU A 14 -8.559 -6.023 -4.452 1.00 0.00 C ATOM 224 C GLU A 14 -9.029 -4.550 -4.524 1.00 0.00 C ATOM 225 O GLU A 14 -10.120 -4.220 -4.085 1.00 0.00 O ATOM 226 CB GLU A 14 -7.651 -6.271 -3.256 1.00 0.00 C ATOM 227 CG GLU A 14 -7.243 -7.737 -3.105 1.00 0.00 C ATOM 228 CD GLU A 14 -8.394 -8.642 -2.744 1.00 0.00 C ATOM 229 OE1 GLU A 14 -8.666 -8.816 -1.544 1.00 0.00 O ATOM 230 OE2 GLU A 14 -9.053 -9.202 -3.640 1.00 0.00 O ATOM 0 H GLU A 14 -6.866 -6.552 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.456 -6.632 -4.337 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.754 -5.659 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.159 -5.946 -2.348 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.798 -8.081 -4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.473 -7.816 -2.337 1.00 0.00 H new ATOM 237 N TRP A 15 -8.201 -3.705 -5.118 1.00 0.00 N ATOM 238 CA TRP A 15 -8.456 -2.262 -5.298 1.00 0.00 C ATOM 239 C TRP A 15 -9.680 -2.037 -6.184 1.00 0.00 C ATOM 240 O TRP A 15 -10.548 -1.213 -5.875 1.00 0.00 O ATOM 241 CB TRP A 15 -7.200 -1.628 -5.932 1.00 0.00 C ATOM 242 CG TRP A 15 -7.242 -0.162 -6.219 1.00 0.00 C ATOM 243 CD1 TRP A 15 -7.608 0.429 -7.389 1.00 0.00 C ATOM 244 CD2 TRP A 15 -6.848 0.895 -5.342 1.00 0.00 C ATOM 245 NE1 TRP A 15 -7.498 1.788 -7.284 1.00 0.00 N ATOM 246 CE2 TRP A 15 -7.027 2.102 -6.039 1.00 0.00 C ATOM 247 CE3 TRP A 15 -6.371 0.940 -4.030 1.00 0.00 C ATOM 248 CZ2 TRP A 15 -6.742 3.337 -5.475 1.00 0.00 C ATOM 249 CZ3 TRP A 15 -6.088 2.166 -3.472 1.00 0.00 C ATOM 250 CH2 TRP A 15 -6.274 3.347 -4.192 1.00 0.00 C ATOM 0 H TRP A 15 -7.304 -4.001 -5.503 1.00 0.00 H new ATOM 0 HA TRP A 15 -8.662 -1.797 -4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -6.356 -1.818 -5.269 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -6.995 -2.149 -6.867 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -7.937 -0.099 -8.272 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.730 2.459 -8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -6.227 0.031 -3.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.884 4.254 -6.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -5.716 2.215 -2.459 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.042 4.292 -3.723 1.00 0.00 H new ATOM 261 N ARG A 16 -9.758 -2.774 -7.274 1.00 0.00 N ATOM 262 CA ARG A 16 -10.884 -2.647 -8.184 1.00 0.00 C ATOM 263 C ARG A 16 -12.131 -3.248 -7.565 1.00 0.00 C ATOM 264 O ARG A 16 -13.245 -2.825 -7.859 1.00 0.00 O ATOM 265 CB ARG A 16 -10.577 -3.286 -9.533 1.00 0.00 C ATOM 266 CG ARG A 16 -9.404 -2.638 -10.241 1.00 0.00 C ATOM 267 CD ARG A 16 -9.111 -3.297 -11.569 1.00 0.00 C ATOM 268 NE ARG A 16 -10.187 -3.096 -12.549 1.00 0.00 N ATOM 269 CZ ARG A 16 -10.115 -3.461 -13.837 1.00 0.00 C ATOM 270 NH1 ARG A 16 -9.014 -4.053 -14.307 1.00 0.00 N ATOM 271 NH2 ARG A 16 -11.136 -3.223 -14.652 1.00 0.00 N ATOM 0 H ARG A 16 -9.060 -3.464 -7.552 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.065 -1.586 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.366 -4.346 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.460 -3.221 -10.169 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.615 -1.581 -10.400 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.520 -2.695 -9.605 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.180 -2.898 -11.971 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.960 -4.365 -11.415 1.00 0.00 H new ATOM 0 HE ARG A 16 -11.046 -2.649 -12.228 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -8.225 -4.229 -13.685 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.963 -4.329 -15.287 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.975 -2.763 -14.298 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -11.082 -3.500 -15.632 1.00 0.00 H new ATOM 285 N LYS A 17 -11.930 -4.205 -6.688 1.00 0.00 N ATOM 286 CA LYS A 17 -13.015 -4.854 -5.975 1.00 0.00 C ATOM 287 C LYS A 17 -13.570 -3.898 -4.905 1.00 0.00 C ATOM 288 O LYS A 17 -14.778 -3.848 -4.665 1.00 0.00 O ATOM 289 CB LYS A 17 -12.489 -6.134 -5.328 1.00 0.00 C ATOM 290 CG LYS A 17 -13.544 -7.025 -4.702 1.00 0.00 C ATOM 291 CD LYS A 17 -12.910 -8.259 -4.076 1.00 0.00 C ATOM 292 CE LYS A 17 -12.134 -7.933 -2.806 1.00 0.00 C ATOM 293 NZ LYS A 17 -11.424 -9.115 -2.288 1.00 0.00 N ATOM 0 H LYS A 17 -11.005 -4.560 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 17 -13.819 -5.108 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.953 -6.709 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.765 -5.862 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -14.092 -6.468 -3.942 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -14.267 -7.327 -5.460 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.688 -8.987 -3.846 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.240 -8.726 -4.798 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.417 -7.138 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.819 -7.557 -2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.948 -8.871 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.105 -9.882 -2.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.717 -9.428 -2.984 1.00 0.00 H new ATOM 307 N LEU A 18 -12.667 -3.166 -4.273 1.00 0.00 N ATOM 308 CA LEU A 18 -12.982 -2.155 -3.255 1.00 0.00 C ATOM 309 C LEU A 18 -13.926 -1.083 -3.790 1.00 0.00 C ATOM 310 O LEU A 18 -13.920 -0.774 -4.997 1.00 0.00 O ATOM 311 CB LEU A 18 -11.694 -1.475 -2.783 1.00 0.00 C ATOM 312 CG LEU A 18 -11.288 -1.677 -1.327 1.00 0.00 C ATOM 313 CD1 LEU A 18 -11.060 -3.146 -1.007 1.00 0.00 C ATOM 314 CD2 LEU A 18 -10.049 -0.865 -1.025 1.00 0.00 C ATOM 0 H LEU A 18 -11.667 -3.254 -4.452 1.00 0.00 H new ATOM 0 HA LEU A 18 -13.473 -2.670 -2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.877 -1.827 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.794 -0.404 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.106 -1.332 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.772 -3.250 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.978 -3.705 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.266 -3.538 -1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.762 -1.012 0.016 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.235 -1.188 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.255 0.191 -1.199 1.00 0.00 H new ATOM 326 N GLY A 19 -14.720 -0.521 -2.897 1.00 0.00 N ATOM 327 CA GLY A 19 -15.640 0.531 -3.254 1.00 0.00 C ATOM 328 C GLY A 19 -14.904 1.763 -3.712 1.00 0.00 C ATOM 329 O GLY A 19 -13.835 2.077 -3.170 1.00 0.00 O ATOM 0 H GLY A 19 -14.742 -0.782 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -16.304 0.185 -4.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -16.267 0.776 -2.397 1.00 0.00 H new ATOM 333 N SER A 20 -15.476 2.455 -4.684 1.00 0.00 N ATOM 334 CA SER A 20 -14.890 3.626 -5.319 1.00 0.00 C ATOM 335 C SER A 20 -14.403 4.662 -4.283 1.00 0.00 C ATOM 336 O SER A 20 -13.264 5.091 -4.316 1.00 0.00 O ATOM 337 CB SER A 20 -15.939 4.250 -6.245 1.00 0.00 C ATOM 338 OG SER A 20 -16.527 3.254 -7.087 1.00 0.00 O ATOM 0 H SER A 20 -16.390 2.210 -5.065 1.00 0.00 H new ATOM 0 HA SER A 20 -14.015 3.316 -5.889 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.714 4.734 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.476 5.024 -6.857 1.00 0.00 H new ATOM 0 HG SER A 20 -17.195 3.671 -7.670 1.00 0.00 H new ATOM 344 N THR A 21 -15.256 5.001 -3.355 1.00 0.00 N ATOM 345 CA THR A 21 -14.968 5.986 -2.332 1.00 0.00 C ATOM 346 C THR A 21 -13.909 5.468 -1.346 1.00 0.00 C ATOM 347 O THR A 21 -13.005 6.205 -0.941 1.00 0.00 O ATOM 348 CB THR A 21 -16.267 6.356 -1.586 1.00 0.00 C ATOM 349 OG1 THR A 21 -17.261 6.736 -2.558 1.00 0.00 O ATOM 350 CG2 THR A 21 -16.041 7.522 -0.627 1.00 0.00 C ATOM 0 H THR A 21 -16.190 4.597 -3.282 1.00 0.00 H new ATOM 0 HA THR A 21 -14.565 6.877 -2.813 1.00 0.00 H new ATOM 0 HB THR A 21 -16.596 5.494 -1.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 -18.094 6.973 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 21 -16.974 7.759 -0.116 1.00 0.00 H new ATOM 0 HG22 THR A 21 -15.285 7.247 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 21 -15.702 8.393 -1.187 1.00 0.00 H new ATOM 358 N VAL A 22 -13.984 4.185 -1.033 1.00 0.00 N ATOM 359 CA VAL A 22 -13.072 3.580 -0.081 1.00 0.00 C ATOM 360 C VAL A 22 -11.672 3.568 -0.665 1.00 0.00 C ATOM 361 O VAL A 22 -10.711 4.017 -0.028 1.00 0.00 O ATOM 362 CB VAL A 22 -13.506 2.128 0.274 1.00 0.00 C ATOM 363 CG1 VAL A 22 -12.519 1.485 1.236 1.00 0.00 C ATOM 364 CG2 VAL A 22 -14.901 2.117 0.879 1.00 0.00 C ATOM 0 H VAL A 22 -14.670 3.542 -1.427 1.00 0.00 H new ATOM 0 HA VAL A 22 -13.089 4.170 0.835 1.00 0.00 H new ATOM 0 HB VAL A 22 -13.518 1.549 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.845 0.471 1.468 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -11.531 1.452 0.776 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -12.472 2.070 2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.185 1.093 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -14.908 2.719 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -15.611 2.532 0.164 1.00 0.00 H new ATOM 374 N ARG A 23 -11.570 3.127 -1.901 1.00 0.00 N ATOM 375 CA ARG A 23 -10.298 3.108 -2.563 1.00 0.00 C ATOM 376 C ARG A 23 -9.801 4.507 -2.853 1.00 0.00 C ATOM 377 O ARG A 23 -8.629 4.754 -2.780 1.00 0.00 O ATOM 378 CB ARG A 23 -10.274 2.247 -3.818 1.00 0.00 C ATOM 379 CG ARG A 23 -11.297 2.609 -4.867 1.00 0.00 C ATOM 380 CD ARG A 23 -10.960 1.936 -6.163 1.00 0.00 C ATOM 381 NE ARG A 23 -11.899 2.275 -7.230 1.00 0.00 N ATOM 382 CZ ARG A 23 -12.666 1.395 -7.891 1.00 0.00 C ATOM 383 NH1 ARG A 23 -12.719 0.115 -7.504 1.00 0.00 N ATOM 384 NH2 ARG A 23 -13.394 1.802 -8.921 1.00 0.00 N ATOM 0 H ARG A 23 -12.351 2.781 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.611 2.636 -1.861 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.282 2.311 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -10.427 1.207 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.291 2.306 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.323 3.690 -5.005 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.953 2.221 -6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.955 0.856 -6.017 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.977 3.257 -7.493 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.174 -0.198 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.305 -0.548 -8.012 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.369 2.781 -9.208 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.979 1.137 -9.427 1.00 0.00 H new ATOM 398 N GLU A 24 -10.692 5.425 -3.182 1.00 0.00 N ATOM 399 CA GLU A 24 -10.275 6.787 -3.435 1.00 0.00 C ATOM 400 C GLU A 24 -9.746 7.505 -2.219 1.00 0.00 C ATOM 401 O GLU A 24 -8.871 8.342 -2.346 1.00 0.00 O ATOM 402 CB GLU A 24 -11.286 7.612 -4.187 1.00 0.00 C ATOM 403 CG GLU A 24 -11.342 7.258 -5.655 1.00 0.00 C ATOM 404 CD GLU A 24 -12.139 8.238 -6.438 1.00 0.00 C ATOM 405 OE1 GLU A 24 -11.613 9.328 -6.741 1.00 0.00 O ATOM 406 OE2 GLU A 24 -13.299 7.960 -6.764 1.00 0.00 O ATOM 0 H GLU A 24 -11.693 5.254 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.425 6.672 -4.108 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.271 7.467 -3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.040 8.669 -4.080 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.329 7.213 -6.055 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.775 6.264 -5.771 1.00 0.00 H new ATOM 413 N GLN A 25 -10.246 7.191 -1.040 1.00 0.00 N ATOM 414 CA GLN A 25 -9.703 7.774 0.138 1.00 0.00 C ATOM 415 C GLN A 25 -8.315 7.199 0.402 1.00 0.00 C ATOM 416 O GLN A 25 -7.423 7.899 0.866 1.00 0.00 O ATOM 417 CB GLN A 25 -10.645 7.632 1.315 1.00 0.00 C ATOM 418 CG GLN A 25 -11.518 8.869 1.648 1.00 0.00 C ATOM 419 CD GLN A 25 -12.575 9.302 0.607 1.00 0.00 C ATOM 420 OE1 GLN A 25 -13.616 9.831 0.982 1.00 0.00 O ATOM 421 NE2 GLN A 25 -12.322 9.137 -0.660 1.00 0.00 N ATOM 0 H GLN A 25 -11.018 6.542 -0.888 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.588 8.848 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.307 6.787 1.124 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.055 7.382 2.197 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.034 8.673 2.588 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.851 9.714 1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.451 8.695 -0.953 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.995 9.450 -1.359 1.00 0.00 H new ATOM 430 N LEU A 26 -8.140 5.931 0.068 1.00 0.00 N ATOM 431 CA LEU A 26 -6.832 5.295 0.118 1.00 0.00 C ATOM 432 C LEU A 26 -5.904 5.944 -0.920 1.00 0.00 C ATOM 433 O LEU A 26 -4.746 6.216 -0.635 1.00 0.00 O ATOM 434 CB LEU A 26 -6.952 3.790 -0.129 1.00 0.00 C ATOM 435 CG LEU A 26 -7.701 2.987 0.944 1.00 0.00 C ATOM 436 CD1 LEU A 26 -7.853 1.556 0.514 1.00 0.00 C ATOM 437 CD2 LEU A 26 -6.964 3.054 2.271 1.00 0.00 C ATOM 0 H LEU A 26 -8.893 5.317 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.407 5.437 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.454 3.638 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.948 3.377 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.691 3.425 1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.386 0.999 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.416 1.514 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.868 1.115 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -7.509 2.479 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.963 2.639 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.890 4.092 2.594 1.00 0.00 H new ATOM 449 N LYS A 27 -6.449 6.203 -2.118 1.00 0.00 N ATOM 450 CA LYS A 27 -5.746 6.917 -3.197 1.00 0.00 C ATOM 451 C LYS A 27 -5.255 8.271 -2.681 1.00 0.00 C ATOM 452 O LYS A 27 -4.116 8.654 -2.897 1.00 0.00 O ATOM 453 CB LYS A 27 -6.727 7.174 -4.350 1.00 0.00 C ATOM 454 CG LYS A 27 -6.148 7.933 -5.541 1.00 0.00 C ATOM 455 CD LYS A 27 -7.251 8.533 -6.426 1.00 0.00 C ATOM 456 CE LYS A 27 -7.985 9.675 -5.703 1.00 0.00 C ATOM 457 NZ LYS A 27 -9.038 10.312 -6.535 1.00 0.00 N ATOM 0 H LYS A 27 -7.397 5.921 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.903 6.315 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.108 6.215 -4.702 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.579 7.733 -3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.496 8.730 -5.182 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.531 7.260 -6.136 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.815 8.907 -7.352 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.964 7.755 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.437 9.287 -4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.260 10.432 -5.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.258 11.255 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.699 10.404 -7.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.896 9.724 -6.519 1.00 0.00 H new ATOM 471 N LYS A 28 -6.135 8.959 -1.964 1.00 0.00 N ATOM 472 CA LYS A 28 -5.833 10.244 -1.343 1.00 0.00 C ATOM 473 C LYS A 28 -4.658 10.121 -0.382 1.00 0.00 C ATOM 474 O LYS A 28 -3.796 11.011 -0.318 1.00 0.00 O ATOM 475 CB LYS A 28 -7.083 10.786 -0.637 1.00 0.00 C ATOM 476 CG LYS A 28 -8.133 11.359 -1.599 1.00 0.00 C ATOM 477 CD LYS A 28 -9.545 11.460 -0.987 1.00 0.00 C ATOM 478 CE LYS A 28 -9.571 12.018 0.426 1.00 0.00 C ATOM 479 NZ LYS A 28 -9.062 13.400 0.529 1.00 0.00 N ATOM 0 H LYS A 28 -7.088 8.638 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.542 10.953 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.536 9.985 -0.053 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.784 11.563 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.815 12.350 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.177 10.733 -2.490 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.162 12.091 -1.627 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.999 10.469 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.595 11.989 0.800 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.977 11.372 1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.109 13.715 1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.075 13.432 0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.643 14.029 -0.062 1.00 0.00 H new ATOM 493 N LYS A 29 -4.603 9.012 0.327 1.00 0.00 N ATOM 494 CA LYS A 29 -3.509 8.738 1.233 1.00 0.00 C ATOM 495 C LYS A 29 -2.219 8.459 0.500 1.00 0.00 C ATOM 496 O LYS A 29 -1.147 8.837 0.955 1.00 0.00 O ATOM 497 CB LYS A 29 -3.831 7.625 2.221 1.00 0.00 C ATOM 498 CG LYS A 29 -4.386 8.118 3.548 1.00 0.00 C ATOM 499 CD LYS A 29 -5.679 8.878 3.396 1.00 0.00 C ATOM 500 CE LYS A 29 -6.095 9.471 4.715 1.00 0.00 C ATOM 501 NZ LYS A 29 -5.122 10.475 5.191 1.00 0.00 N ATOM 0 H LYS A 29 -5.312 8.279 0.291 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.367 9.649 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.553 6.947 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.926 7.047 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.547 7.266 4.208 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.648 8.759 4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.559 9.669 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.459 8.212 3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.076 9.934 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.193 8.678 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -5.572 11.083 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -4.304 9.992 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.805 11.058 4.390 1.00 0.00 H new ATOM 515 N LEU A 30 -2.323 7.819 -0.631 1.00 0.00 N ATOM 516 CA LEU A 30 -1.166 7.535 -1.448 1.00 0.00 C ATOM 517 C LEU A 30 -0.575 8.837 -1.971 1.00 0.00 C ATOM 518 O LEU A 30 0.635 9.037 -1.953 1.00 0.00 O ATOM 519 CB LEU A 30 -1.547 6.610 -2.602 1.00 0.00 C ATOM 520 CG LEU A 30 -2.161 5.269 -2.192 1.00 0.00 C ATOM 521 CD1 LEU A 30 -2.535 4.455 -3.409 1.00 0.00 C ATOM 522 CD2 LEU A 30 -1.213 4.491 -1.286 1.00 0.00 C ATOM 0 H LEU A 30 -3.205 7.479 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.414 7.029 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.254 7.133 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.656 6.415 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.072 5.472 -1.629 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.969 3.507 -3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.262 5.006 -4.006 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.644 4.265 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.672 3.542 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.279 4.301 -1.814 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.010 5.073 -0.387 1.00 0.00 H new ATOM 534 N VAL A 31 -1.452 9.733 -2.380 1.00 0.00 N ATOM 535 CA VAL A 31 -1.057 11.037 -2.889 1.00 0.00 C ATOM 536 C VAL A 31 -0.331 11.865 -1.810 1.00 0.00 C ATOM 537 O VAL A 31 0.717 12.463 -2.083 1.00 0.00 O ATOM 538 CB VAL A 31 -2.291 11.819 -3.437 1.00 0.00 C ATOM 539 CG1 VAL A 31 -1.913 13.215 -3.906 1.00 0.00 C ATOM 540 CG2 VAL A 31 -2.936 11.050 -4.574 1.00 0.00 C ATOM 0 H VAL A 31 -2.460 9.580 -2.370 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.361 10.870 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.003 11.923 -2.618 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.800 13.726 -4.280 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.495 13.778 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.173 13.143 -4.703 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.796 11.606 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.213 10.916 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.263 10.075 -4.214 1.00 0.00 H new ATOM 550 N GLU A 32 -0.859 11.874 -0.588 1.00 0.00 N ATOM 551 CA GLU A 32 -0.225 12.630 0.488 1.00 0.00 C ATOM 552 C GLU A 32 1.117 11.995 0.891 1.00 0.00 C ATOM 553 O GLU A 32 2.150 12.684 0.964 1.00 0.00 O ATOM 554 CB GLU A 32 -1.163 12.798 1.721 1.00 0.00 C ATOM 555 CG GLU A 32 -1.561 11.495 2.384 1.00 0.00 C ATOM 556 CD GLU A 32 -2.520 11.634 3.546 1.00 0.00 C ATOM 557 OE1 GLU A 32 -3.735 11.799 3.315 1.00 0.00 O ATOM 558 OE2 GLU A 32 -2.082 11.535 4.720 1.00 0.00 O ATOM 0 H GLU A 32 -1.708 11.376 -0.321 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.026 13.630 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.666 13.430 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -2.065 13.323 1.407 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.015 10.847 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -0.659 10.993 2.735 1.00 0.00 H new ATOM 565 N VAL A 33 1.104 10.675 1.045 1.00 0.00 N ATOM 566 CA VAL A 33 2.228 9.926 1.561 1.00 0.00 C ATOM 567 C VAL A 33 3.461 10.022 0.670 1.00 0.00 C ATOM 568 O VAL A 33 4.556 9.989 1.163 1.00 0.00 O ATOM 569 CB VAL A 33 1.883 8.448 1.908 1.00 0.00 C ATOM 570 CG1 VAL A 33 1.848 7.540 0.686 1.00 0.00 C ATOM 571 CG2 VAL A 33 2.820 7.924 2.970 1.00 0.00 C ATOM 0 H VAL A 33 0.299 10.094 0.810 1.00 0.00 H new ATOM 0 HA VAL A 33 2.478 10.410 2.505 1.00 0.00 H new ATOM 0 HB VAL A 33 0.869 8.440 2.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.602 6.524 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.093 7.900 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.824 7.546 0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.566 6.890 3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.846 7.973 2.606 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.725 8.531 3.870 1.00 0.00 H new ATOM 581 N LEU A 34 3.261 10.181 -0.637 1.00 0.00 N ATOM 582 CA LEU A 34 4.359 10.234 -1.618 1.00 0.00 C ATOM 583 C LEU A 34 5.435 11.273 -1.285 1.00 0.00 C ATOM 584 O LEU A 34 6.585 11.123 -1.716 1.00 0.00 O ATOM 585 CB LEU A 34 3.828 10.490 -3.034 1.00 0.00 C ATOM 586 CG LEU A 34 3.083 9.343 -3.716 1.00 0.00 C ATOM 587 CD1 LEU A 34 2.547 9.794 -5.066 1.00 0.00 C ATOM 588 CD2 LEU A 34 4.002 8.143 -3.889 1.00 0.00 C ATOM 0 H LEU A 34 2.335 10.277 -1.053 1.00 0.00 H new ATOM 0 HA LEU A 34 4.831 9.253 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.160 11.351 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.671 10.769 -3.666 1.00 0.00 H new ATOM 0 HG LEU A 34 2.244 9.050 -3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.018 8.968 -5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.862 10.630 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.376 10.108 -5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.457 7.334 -4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.857 8.425 -4.503 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.351 7.808 -2.912 1.00 0.00 H new ATOM 600 N GLU A 35 5.085 12.322 -0.541 1.00 0.00 N ATOM 601 CA GLU A 35 6.087 13.314 -0.189 1.00 0.00 C ATOM 602 C GLU A 35 7.006 12.800 0.941 1.00 0.00 C ATOM 603 O GLU A 35 8.163 13.201 1.048 1.00 0.00 O ATOM 604 CB GLU A 35 5.468 14.658 0.200 1.00 0.00 C ATOM 605 CG GLU A 35 4.684 14.647 1.496 1.00 0.00 C ATOM 606 CD GLU A 35 4.262 16.023 1.908 1.00 0.00 C ATOM 607 OE1 GLU A 35 5.145 16.840 2.269 1.00 0.00 O ATOM 608 OE2 GLU A 35 3.055 16.326 1.882 1.00 0.00 O ATOM 0 H GLU A 35 4.147 12.500 -0.183 1.00 0.00 H new ATOM 0 HA GLU A 35 6.687 13.479 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.264 15.399 0.280 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.808 14.984 -0.604 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.802 14.017 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.292 14.203 2.284 1.00 0.00 H new ATOM 615 N SER A 36 6.497 11.922 1.782 1.00 0.00 N ATOM 616 CA SER A 36 7.261 11.384 2.902 1.00 0.00 C ATOM 617 C SER A 36 6.754 9.973 3.273 1.00 0.00 C ATOM 618 O SER A 36 6.106 9.793 4.290 1.00 0.00 O ATOM 619 CB SER A 36 7.161 12.327 4.129 1.00 0.00 C ATOM 620 OG SER A 36 7.572 13.662 3.805 1.00 0.00 O ATOM 0 H SER A 36 5.546 11.559 1.713 1.00 0.00 H new ATOM 0 HA SER A 36 8.306 11.312 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.134 12.341 4.495 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.782 11.941 4.937 1.00 0.00 H new ATOM 0 HG SER A 36 7.495 14.230 4.600 1.00 0.00 H new ATOM 626 N PRO A 37 6.985 8.957 2.411 1.00 0.00 N ATOM 627 CA PRO A 37 6.515 7.601 2.672 1.00 0.00 C ATOM 628 C PRO A 37 7.500 6.783 3.488 1.00 0.00 C ATOM 629 O PRO A 37 7.217 5.669 3.867 1.00 0.00 O ATOM 630 CB PRO A 37 6.351 7.022 1.273 1.00 0.00 C ATOM 631 CG PRO A 37 7.420 7.684 0.472 1.00 0.00 C ATOM 632 CD PRO A 37 7.636 9.055 1.083 1.00 0.00 C ATOM 0 HA PRO A 37 5.601 7.590 3.265 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.469 5.938 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.362 7.234 0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.340 7.100 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 37 7.124 7.768 -0.574 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.697 9.290 1.174 1.00 0.00 H new ATOM 0 HD3 PRO A 37 7.187 9.840 0.474 1.00 0.00 H new ATOM 640 N ARG A 38 8.635 7.365 3.789 1.00 0.00 N ATOM 641 CA ARG A 38 9.672 6.682 4.544 1.00 0.00 C ATOM 642 C ARG A 38 9.524 6.909 6.059 1.00 0.00 C ATOM 643 O ARG A 38 10.495 6.988 6.800 1.00 0.00 O ATOM 644 CB ARG A 38 11.079 7.033 3.978 1.00 0.00 C ATOM 645 CG ARG A 38 11.420 8.526 3.817 1.00 0.00 C ATOM 646 CD ARG A 38 11.808 9.199 5.125 1.00 0.00 C ATOM 647 NE ARG A 38 13.002 8.590 5.745 1.00 0.00 N ATOM 648 CZ ARG A 38 13.366 8.764 7.029 1.00 0.00 C ATOM 649 NH1 ARG A 38 12.618 9.510 7.836 1.00 0.00 N ATOM 650 NH2 ARG A 38 14.460 8.172 7.506 1.00 0.00 N ATOM 0 H ARG A 38 8.871 8.321 3.522 1.00 0.00 H new ATOM 0 HA ARG A 38 9.552 5.606 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 38 11.827 6.584 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.179 6.556 3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 38 12.240 8.630 3.106 1.00 0.00 H new ATOM 0 HG3 ARG A 38 10.561 9.044 3.391 1.00 0.00 H new ATOM 0 HD2 ARG A 38 11.997 10.257 4.943 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.972 9.140 5.822 1.00 0.00 H new ATOM 0 HE ARG A 38 13.591 7.997 5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.769 9.950 7.482 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.893 9.642 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 38 15.028 7.583 6.897 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.730 8.308 8.480 1.00 0.00 H new ATOM 664 N ILE A 39 8.288 6.930 6.507 1.00 0.00 N ATOM 665 CA ILE A 39 7.976 7.112 7.906 1.00 0.00 C ATOM 666 C ILE A 39 8.099 5.761 8.603 1.00 0.00 C ATOM 667 O ILE A 39 7.200 4.912 8.512 1.00 0.00 O ATOM 668 CB ILE A 39 6.545 7.705 8.102 1.00 0.00 C ATOM 669 CG1 ILE A 39 6.449 9.075 7.413 1.00 0.00 C ATOM 670 CG2 ILE A 39 6.191 7.825 9.588 1.00 0.00 C ATOM 671 CD1 ILE A 39 5.081 9.729 7.494 1.00 0.00 C ATOM 0 H ILE A 39 7.469 6.821 5.909 1.00 0.00 H new ATOM 0 HA ILE A 39 8.676 7.825 8.341 1.00 0.00 H new ATOM 0 HB ILE A 39 5.826 7.024 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.184 9.744 7.860 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.720 8.959 6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.189 8.241 9.691 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.224 6.839 10.051 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.908 8.481 10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.107 10.691 6.982 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.341 9.085 7.020 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.812 9.882 8.539 1.00 0.00 H new ATOM 683 N GLU A 40 9.224 5.571 9.282 1.00 0.00 N ATOM 684 CA GLU A 40 9.590 4.302 9.906 1.00 0.00 C ATOM 685 C GLU A 40 8.555 3.799 10.913 1.00 0.00 C ATOM 686 O GLU A 40 8.456 2.598 11.155 1.00 0.00 O ATOM 687 CB GLU A 40 10.972 4.386 10.550 1.00 0.00 C ATOM 688 CG GLU A 40 11.068 5.385 11.679 1.00 0.00 C ATOM 689 CD GLU A 40 12.416 5.414 12.310 1.00 0.00 C ATOM 690 OE1 GLU A 40 12.677 4.593 13.222 1.00 0.00 O ATOM 691 OE2 GLU A 40 13.238 6.263 11.932 1.00 0.00 O ATOM 0 H GLU A 40 9.919 6.305 9.418 1.00 0.00 H new ATOM 0 HA GLU A 40 9.618 3.568 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.245 3.401 10.927 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.702 4.648 9.784 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.828 6.378 11.300 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.322 5.143 12.436 1.00 0.00 H new ATOM 698 N ALA A 41 7.772 4.709 11.471 1.00 0.00 N ATOM 699 CA ALA A 41 6.723 4.357 12.420 1.00 0.00 C ATOM 700 C ALA A 41 5.630 3.525 11.750 1.00 0.00 C ATOM 701 O ALA A 41 4.895 2.802 12.413 1.00 0.00 O ATOM 702 CB ALA A 41 6.120 5.613 13.032 1.00 0.00 C ATOM 0 H ALA A 41 7.844 5.709 11.281 1.00 0.00 H new ATOM 0 HA ALA A 41 7.173 3.756 13.210 1.00 0.00 H new ATOM 0 HB1 ALA A 41 5.338 5.334 13.739 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.897 6.173 13.553 1.00 0.00 H new ATOM 0 HB3 ALA A 41 5.693 6.233 12.244 1.00 0.00 H new ATOM 708 N ASN A 42 5.537 3.622 10.437 1.00 0.00 N ATOM 709 CA ASN A 42 4.518 2.900 9.688 1.00 0.00 C ATOM 710 C ASN A 42 5.079 1.639 9.064 1.00 0.00 C ATOM 711 O ASN A 42 4.370 0.936 8.341 1.00 0.00 O ATOM 712 CB ASN A 42 3.881 3.786 8.599 1.00 0.00 C ATOM 713 CG ASN A 42 3.069 4.944 9.155 1.00 0.00 C ATOM 714 OD1 ASN A 42 2.488 4.859 10.244 1.00 0.00 O ATOM 715 ND2 ASN A 42 3.022 6.033 8.422 1.00 0.00 N ATOM 0 H ASN A 42 6.156 4.195 9.863 1.00 0.00 H new ATOM 0 HA ASN A 42 3.743 2.619 10.401 1.00 0.00 H new ATOM 0 HB2 ASN A 42 4.668 4.181 7.957 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.237 3.170 7.972 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.494 6.843 8.746 1.00 0.00 H new ATOM 0 HD22 ASN A 42 3.513 6.068 7.529 1.00 0.00 H new ATOM 722 N LYS A 43 6.343 1.344 9.347 1.00 0.00 N ATOM 723 CA LYS A 43 6.982 0.150 8.809 1.00 0.00 C ATOM 724 C LYS A 43 6.465 -1.096 9.464 1.00 0.00 C ATOM 725 O LYS A 43 6.240 -1.135 10.679 1.00 0.00 O ATOM 726 CB LYS A 43 8.513 0.196 8.909 1.00 0.00 C ATOM 727 CG LYS A 43 9.146 1.183 7.961 1.00 0.00 C ATOM 728 CD LYS A 43 10.685 1.255 8.028 1.00 0.00 C ATOM 729 CE LYS A 43 11.405 0.014 7.458 1.00 0.00 C ATOM 730 NZ LYS A 43 11.347 -1.177 8.341 1.00 0.00 N ATOM 0 H LYS A 43 6.943 1.913 9.944 1.00 0.00 H new ATOM 0 HA LYS A 43 6.722 0.128 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.795 0.452 9.930 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.913 -0.798 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.853 0.925 6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.741 2.174 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.020 2.137 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.986 1.390 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.963 -0.239 6.494 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.449 0.266 7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.306 -1.558 8.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.952 -0.906 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.743 -1.903 7.906 1.00 0.00 H new ATOM 744 N LEU A 44 6.271 -2.099 8.663 1.00 0.00 N ATOM 745 CA LEU A 44 5.803 -3.361 9.132 1.00 0.00 C ATOM 746 C LEU A 44 6.932 -4.149 9.727 1.00 0.00 C ATOM 747 O LEU A 44 8.054 -4.160 9.198 1.00 0.00 O ATOM 748 CB LEU A 44 5.152 -4.167 8.020 1.00 0.00 C ATOM 749 CG LEU A 44 3.909 -3.581 7.386 1.00 0.00 C ATOM 750 CD1 LEU A 44 3.318 -4.554 6.396 1.00 0.00 C ATOM 751 CD2 LEU A 44 2.900 -3.229 8.438 1.00 0.00 C ATOM 0 H LEU A 44 6.435 -2.061 7.657 1.00 0.00 H new ATOM 0 HA LEU A 44 5.051 -3.165 9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.892 -4.321 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.899 -5.150 8.417 1.00 0.00 H new ATOM 0 HG LEU A 44 4.187 -2.670 6.856 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.425 -4.119 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.048 -4.768 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.054 -5.479 6.908 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.012 -2.809 7.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.625 -4.126 8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.328 -2.496 9.122 1.00 0.00 H new ATOM 763 N ARG A 45 6.642 -4.771 10.813 1.00 0.00 N ATOM 764 CA ARG A 45 7.567 -5.589 11.530 1.00 0.00 C ATOM 765 C ARG A 45 7.833 -6.900 10.783 1.00 0.00 C ATOM 766 O ARG A 45 6.963 -7.779 10.717 1.00 0.00 O ATOM 767 CB ARG A 45 6.990 -5.853 12.913 1.00 0.00 C ATOM 768 CG ARG A 45 7.746 -6.848 13.744 1.00 0.00 C ATOM 769 CD ARG A 45 7.063 -7.047 15.068 1.00 0.00 C ATOM 770 NE ARG A 45 7.666 -8.132 15.818 1.00 0.00 N ATOM 771 CZ ARG A 45 7.377 -8.448 17.072 1.00 0.00 C ATOM 772 NH1 ARG A 45 6.524 -7.693 17.779 1.00 0.00 N ATOM 773 NH2 ARG A 45 7.946 -9.511 17.620 1.00 0.00 N ATOM 0 H ARG A 45 5.720 -4.726 11.247 1.00 0.00 H new ATOM 0 HA ARG A 45 8.525 -5.077 11.621 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.946 -4.909 13.457 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.964 -6.204 12.800 1.00 0.00 H new ATOM 0 HG2 ARG A 45 7.812 -7.799 13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 45 8.767 -6.499 13.902 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.118 -6.127 15.649 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.006 -7.259 14.906 1.00 0.00 H new ATOM 0 HE ARG A 45 8.369 -8.697 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.095 -6.872 17.352 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.304 -7.940 18.744 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.599 -10.077 17.078 1.00 0.00 H new ATOM 0 HH22 ARG A 45 7.731 -9.764 18.584 1.00 0.00 H new ATOM 787 N GLY A 46 9.007 -7.003 10.193 1.00 0.00 N ATOM 788 CA GLY A 46 9.393 -8.215 9.518 1.00 0.00 C ATOM 789 C GLY A 46 8.995 -8.236 8.075 1.00 0.00 C ATOM 790 O GLY A 46 8.702 -9.300 7.521 1.00 0.00 O ATOM 0 H GLY A 46 9.706 -6.260 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 46 10.474 -8.337 9.592 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.940 -9.067 10.026 1.00 0.00 H new ATOM 794 N MET A 47 8.990 -7.090 7.458 1.00 0.00 N ATOM 795 CA MET A 47 8.609 -6.980 6.068 1.00 0.00 C ATOM 796 C MET A 47 9.586 -6.075 5.352 1.00 0.00 C ATOM 797 O MET A 47 9.909 -4.999 5.856 1.00 0.00 O ATOM 798 CB MET A 47 7.195 -6.422 5.935 1.00 0.00 C ATOM 799 CG MET A 47 6.090 -7.331 6.476 1.00 0.00 C ATOM 800 SD MET A 47 5.916 -8.871 5.545 1.00 0.00 S ATOM 801 CE MET A 47 5.435 -8.238 3.937 1.00 0.00 C ATOM 0 H MET A 47 9.248 -6.206 7.896 1.00 0.00 H new ATOM 0 HA MET A 47 8.628 -7.973 5.620 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.147 -5.466 6.457 1.00 0.00 H new ATOM 0 HB3 MET A 47 6.997 -6.221 4.882 1.00 0.00 H new ATOM 0 HG2 MET A 47 6.300 -7.566 7.519 1.00 0.00 H new ATOM 0 HG3 MET A 47 5.143 -6.792 6.455 1.00 0.00 H new ATOM 0 HE1 MET A 47 4.938 -9.025 3.370 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.753 -7.398 4.066 1.00 0.00 H new ATOM 0 HE3 MET A 47 6.322 -7.906 3.397 1.00 0.00 H new ATOM 811 N PRO A 48 10.082 -6.487 4.185 1.00 0.00 N ATOM 812 CA PRO A 48 11.059 -5.709 3.423 1.00 0.00 C ATOM 813 C PRO A 48 10.499 -4.373 2.898 1.00 0.00 C ATOM 814 O PRO A 48 9.745 -4.341 1.899 1.00 0.00 O ATOM 815 CB PRO A 48 11.442 -6.636 2.260 1.00 0.00 C ATOM 816 CG PRO A 48 10.301 -7.577 2.129 1.00 0.00 C ATOM 817 CD PRO A 48 9.747 -7.758 3.511 1.00 0.00 C ATOM 0 HA PRO A 48 11.904 -5.419 4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.597 -6.072 1.340 1.00 0.00 H new ATOM 0 HB3 PRO A 48 12.371 -7.168 2.468 1.00 0.00 H new ATOM 0 HG2 PRO A 48 9.543 -7.178 1.455 1.00 0.00 H new ATOM 0 HG3 PRO A 48 10.628 -8.530 1.713 1.00 0.00 H new ATOM 0 HD2 PRO A 48 8.671 -7.931 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 48 10.199 -8.612 4.016 1.00 0.00 H new ATOM 825 N ASP A 49 10.812 -3.296 3.628 1.00 0.00 N ATOM 826 CA ASP A 49 10.462 -1.900 3.265 1.00 0.00 C ATOM 827 C ASP A 49 8.959 -1.708 3.158 1.00 0.00 C ATOM 828 O ASP A 49 8.497 -0.868 2.397 1.00 0.00 O ATOM 829 CB ASP A 49 11.096 -1.479 1.914 1.00 0.00 C ATOM 830 CG ASP A 49 12.599 -1.576 1.860 1.00 0.00 C ATOM 831 OD1 ASP A 49 13.300 -0.740 2.471 1.00 0.00 O ATOM 832 OD2 ASP A 49 13.118 -2.493 1.186 1.00 0.00 O ATOM 0 H ASP A 49 11.326 -3.362 4.507 1.00 0.00 H new ATOM 0 HA ASP A 49 10.858 -1.276 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.678 -2.102 1.123 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.805 -0.451 1.697 1.00 0.00 H new ATOM 837 N CYS A 50 8.192 -2.428 3.940 1.00 0.00 N ATOM 838 CA CYS A 50 6.760 -2.330 3.811 1.00 0.00 C ATOM 839 C CYS A 50 6.184 -1.427 4.882 1.00 0.00 C ATOM 840 O CYS A 50 6.623 -1.451 6.029 1.00 0.00 O ATOM 841 CB CYS A 50 6.127 -3.713 3.868 1.00 0.00 C ATOM 842 SG CYS A 50 6.785 -4.871 2.637 1.00 0.00 S ATOM 0 H CYS A 50 8.525 -3.073 4.656 1.00 0.00 H new ATOM 0 HA CYS A 50 6.530 -1.888 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.278 -4.131 4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 50 5.051 -3.616 3.723 1.00 0.00 H new ATOM 0 HG CYS A 50 8.019 -4.564 2.369 1.00 0.00 H new ATOM 848 N TYR A 51 5.203 -0.655 4.496 1.00 0.00 N ATOM 849 CA TYR A 51 4.551 0.306 5.352 1.00 0.00 C ATOM 850 C TYR A 51 3.055 0.120 5.198 1.00 0.00 C ATOM 851 O TYR A 51 2.597 -0.454 4.192 1.00 0.00 O ATOM 852 CB TYR A 51 4.903 1.755 4.938 1.00 0.00 C ATOM 853 CG TYR A 51 6.379 2.144 4.944 1.00 0.00 C ATOM 854 CD1 TYR A 51 7.277 1.594 4.041 1.00 0.00 C ATOM 855 CD2 TYR A 51 6.858 3.092 5.828 1.00 0.00 C ATOM 856 CE1 TYR A 51 8.602 1.970 4.023 1.00 0.00 C ATOM 857 CE2 TYR A 51 8.187 3.473 5.815 1.00 0.00 C ATOM 858 CZ TYR A 51 9.052 2.906 4.911 1.00 0.00 C ATOM 859 OH TYR A 51 10.375 3.284 4.893 1.00 0.00 O ATOM 0 H TYR A 51 4.823 -0.677 3.550 1.00 0.00 H new ATOM 0 HA TYR A 51 4.880 0.149 6.379 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.514 1.923 3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.372 2.435 5.604 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.929 0.854 3.336 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.183 3.543 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.282 1.527 3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.544 4.215 6.514 1.00 0.00 H new ATOM 0 HH TYR A 51 10.532 3.959 5.586 1.00 0.00 H new ATOM 869 N LYS A 52 2.300 0.599 6.150 1.00 0.00 N ATOM 870 CA LYS A 52 0.858 0.483 6.109 1.00 0.00 C ATOM 871 C LYS A 52 0.185 1.819 6.376 1.00 0.00 C ATOM 872 O LYS A 52 0.703 2.661 7.123 1.00 0.00 O ATOM 873 CB LYS A 52 0.365 -0.550 7.136 1.00 0.00 C ATOM 874 CG LYS A 52 0.827 -0.258 8.558 1.00 0.00 C ATOM 875 CD LYS A 52 0.280 -1.256 9.560 1.00 0.00 C ATOM 876 CE LYS A 52 0.991 -1.108 10.892 1.00 0.00 C ATOM 877 NZ LYS A 52 0.461 -2.018 11.924 1.00 0.00 N ATOM 0 H LYS A 52 2.660 1.079 6.974 1.00 0.00 H new ATOM 0 HA LYS A 52 0.590 0.152 5.106 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.724 -0.581 7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.717 -1.539 6.843 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.916 -0.272 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.512 0.746 8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.791 -1.099 9.692 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.410 -2.270 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 52 2.055 -1.301 10.755 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.896 -0.079 11.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.982 -1.876 12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.548 -1.818 12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.575 -3.003 11.610 1.00 0.00 H new ATOM 891 N ILE A 53 -0.938 2.015 5.749 1.00 0.00 N ATOM 892 CA ILE A 53 -1.786 3.155 5.999 1.00 0.00 C ATOM 893 C ILE A 53 -3.158 2.625 6.346 1.00 0.00 C ATOM 894 O ILE A 53 -3.605 1.635 5.755 1.00 0.00 O ATOM 895 CB ILE A 53 -1.898 4.120 4.767 1.00 0.00 C ATOM 896 CG1 ILE A 53 -0.527 4.714 4.409 1.00 0.00 C ATOM 897 CG2 ILE A 53 -2.920 5.242 5.029 1.00 0.00 C ATOM 898 CD1 ILE A 53 -0.552 5.662 3.224 1.00 0.00 C ATOM 0 H ILE A 53 -1.300 1.380 5.038 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.351 3.740 6.809 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.250 3.533 3.919 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.135 5.245 5.277 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.165 3.900 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.975 5.894 4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.900 4.804 5.218 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.609 5.822 5.897 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.454 6.037 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.912 5.132 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.216 6.498 3.441 1.00 0.00 H new ATOM 910 N LYS A 54 -3.799 3.229 7.308 1.00 0.00 N ATOM 911 CA LYS A 54 -5.129 2.840 7.661 1.00 0.00 C ATOM 912 C LYS A 54 -6.080 3.972 7.347 1.00 0.00 C ATOM 913 O LYS A 54 -5.816 5.139 7.678 1.00 0.00 O ATOM 914 CB LYS A 54 -5.293 2.347 9.130 1.00 0.00 C ATOM 915 CG LYS A 54 -4.996 3.367 10.220 1.00 0.00 C ATOM 916 CD LYS A 54 -3.512 3.586 10.427 1.00 0.00 C ATOM 917 CE LYS A 54 -3.289 4.777 11.303 1.00 0.00 C ATOM 918 NZ LYS A 54 -1.860 5.025 11.563 1.00 0.00 N ATOM 0 H LYS A 54 -3.417 3.996 7.862 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.372 1.966 7.056 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.316 1.995 9.261 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.639 1.488 9.278 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.467 4.316 9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.444 3.033 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.065 2.701 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.020 3.734 9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.728 5.657 10.833 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.807 4.630 12.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.758 5.860 12.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.444 4.197 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.367 5.193 10.663 1.00 0.00 H new ATOM 932 N LEU A 55 -7.145 3.650 6.674 1.00 0.00 N ATOM 933 CA LEU A 55 -8.119 4.622 6.294 1.00 0.00 C ATOM 934 C LEU A 55 -8.993 4.977 7.468 1.00 0.00 C ATOM 935 O LEU A 55 -9.952 4.252 7.809 1.00 0.00 O ATOM 936 CB LEU A 55 -8.946 4.159 5.082 1.00 0.00 C ATOM 937 CG LEU A 55 -9.951 5.166 4.508 1.00 0.00 C ATOM 938 CD1 LEU A 55 -9.291 6.512 4.291 1.00 0.00 C ATOM 939 CD2 LEU A 55 -10.498 4.631 3.196 1.00 0.00 C ATOM 0 H LEU A 55 -7.361 2.700 6.373 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.592 5.524 5.982 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.256 3.877 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.491 3.259 5.366 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.769 5.300 5.216 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.019 7.213 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.916 6.891 5.242 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.462 6.402 3.591 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -11.213 5.342 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.679 4.489 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -10.995 3.677 3.371 1.00 0.00 H new ATOM 951 N ARG A 56 -8.614 6.066 8.101 1.00 0.00 N ATOM 952 CA ARG A 56 -9.273 6.629 9.262 1.00 0.00 C ATOM 953 C ARG A 56 -10.648 7.179 8.871 1.00 0.00 C ATOM 954 O ARG A 56 -10.807 8.385 8.647 1.00 0.00 O ATOM 955 CB ARG A 56 -8.390 7.749 9.837 1.00 0.00 C ATOM 956 CG ARG A 56 -6.982 7.299 10.239 1.00 0.00 C ATOM 957 CD ARG A 56 -6.063 8.491 10.517 1.00 0.00 C ATOM 958 NE ARG A 56 -6.600 9.387 11.542 1.00 0.00 N ATOM 959 CZ ARG A 56 -6.337 10.700 11.631 1.00 0.00 C ATOM 960 NH1 ARG A 56 -5.404 11.258 10.860 1.00 0.00 N ATOM 961 NH2 ARG A 56 -6.969 11.441 12.529 1.00 0.00 N ATOM 0 H ARG A 56 -7.801 6.608 7.808 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.418 5.856 10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.307 8.546 9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.886 8.174 10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.041 6.670 11.127 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.555 6.688 9.444 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.086 8.126 10.834 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.910 9.051 9.594 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.222 8.983 12.242 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.883 10.686 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.211 12.257 10.935 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.654 11.013 13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.770 12.439 12.598 1.00 0.00 H new ATOM 975 N SER A 57 -11.599 6.268 8.740 1.00 0.00 N ATOM 976 CA SER A 57 -12.963 6.534 8.318 1.00 0.00 C ATOM 977 C SER A 57 -13.667 5.187 8.125 1.00 0.00 C ATOM 978 O SER A 57 -14.744 4.951 8.659 1.00 0.00 O ATOM 979 CB SER A 57 -12.990 7.328 6.974 1.00 0.00 C ATOM 980 OG SER A 57 -14.309 7.689 6.588 1.00 0.00 O ATOM 0 H SER A 57 -11.433 5.280 8.934 1.00 0.00 H new ATOM 0 HA SER A 57 -13.466 7.136 9.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 -12.384 8.228 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 57 -12.536 6.724 6.188 1.00 0.00 H new ATOM 0 HG SER A 57 -14.278 8.185 5.743 1.00 0.00 H new ATOM 986 N SER A 58 -13.028 4.293 7.383 1.00 0.00 N ATOM 987 CA SER A 58 -13.633 3.015 7.061 1.00 0.00 C ATOM 988 C SER A 58 -12.927 1.835 7.752 1.00 0.00 C ATOM 989 O SER A 58 -13.533 0.790 7.965 1.00 0.00 O ATOM 990 CB SER A 58 -13.663 2.837 5.543 1.00 0.00 C ATOM 991 OG SER A 58 -14.294 3.957 4.925 1.00 0.00 O ATOM 0 H SER A 58 -12.095 4.431 6.996 1.00 0.00 H new ATOM 0 HA SER A 58 -14.653 3.017 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 58 -12.647 2.728 5.163 1.00 0.00 H new ATOM 0 HB3 SER A 58 -14.199 1.923 5.288 1.00 0.00 H new ATOM 0 HG SER A 58 -14.305 3.831 3.953 1.00 0.00 H new ATOM 997 N GLY A 59 -11.666 2.008 8.121 1.00 0.00 N ATOM 998 CA GLY A 59 -10.949 0.927 8.788 1.00 0.00 C ATOM 999 C GLY A 59 -10.233 0.014 7.812 1.00 0.00 C ATOM 1000 O GLY A 59 -9.879 -1.129 8.140 1.00 0.00 O ATOM 0 H GLY A 59 -11.128 2.862 7.976 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.224 1.351 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.652 0.341 9.380 1.00 0.00 H new ATOM 1004 N TYR A 60 -10.026 0.500 6.615 1.00 0.00 N ATOM 1005 CA TYR A 60 -9.308 -0.251 5.609 1.00 0.00 C ATOM 1006 C TYR A 60 -7.833 0.012 5.721 1.00 0.00 C ATOM 1007 O TYR A 60 -7.426 1.067 6.173 1.00 0.00 O ATOM 1008 CB TYR A 60 -9.824 0.058 4.200 1.00 0.00 C ATOM 1009 CG TYR A 60 -11.094 -0.677 3.856 1.00 0.00 C ATOM 1010 CD1 TYR A 60 -12.309 -0.331 4.429 1.00 0.00 C ATOM 1011 CD2 TYR A 60 -11.072 -1.732 2.959 1.00 0.00 C ATOM 1012 CE1 TYR A 60 -13.462 -1.018 4.116 1.00 0.00 C ATOM 1013 CE2 TYR A 60 -12.216 -2.420 2.639 1.00 0.00 C ATOM 1014 CZ TYR A 60 -13.405 -2.062 3.219 1.00 0.00 C ATOM 1015 OH TYR A 60 -14.538 -2.755 2.912 1.00 0.00 O ATOM 0 H TYR A 60 -10.346 1.419 6.309 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.484 -1.312 5.786 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -9.998 1.130 4.111 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -9.054 -0.202 3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -12.352 0.489 5.131 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -10.136 -2.019 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -14.402 -0.740 4.570 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -12.179 -3.238 1.935 1.00 0.00 H new ATOM 0 HH TYR A 60 -14.326 -3.458 2.263 1.00 0.00 H new ATOM 1025 N ARG A 61 -7.045 -0.950 5.357 1.00 0.00 N ATOM 1026 CA ARG A 61 -5.613 -0.844 5.420 1.00 0.00 C ATOM 1027 C ARG A 61 -5.025 -1.093 4.061 1.00 0.00 C ATOM 1028 O ARG A 61 -5.572 -1.860 3.256 1.00 0.00 O ATOM 1029 CB ARG A 61 -4.981 -1.824 6.434 1.00 0.00 C ATOM 1030 CG ARG A 61 -5.086 -1.443 7.916 1.00 0.00 C ATOM 1031 CD ARG A 61 -6.505 -1.480 8.468 1.00 0.00 C ATOM 1032 NE ARG A 61 -6.506 -1.191 9.902 1.00 0.00 N ATOM 1033 CZ ARG A 61 -7.392 -1.636 10.793 1.00 0.00 C ATOM 1034 NH1 ARG A 61 -8.544 -2.168 10.396 1.00 0.00 N ATOM 1035 NH2 ARG A 61 -7.158 -1.463 12.085 1.00 0.00 N ATOM 0 H ARG A 61 -7.379 -1.846 5.002 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.387 0.167 5.759 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.447 -2.800 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.926 -1.937 6.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.463 -2.121 8.499 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.681 -0.440 8.052 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -7.124 -0.752 7.944 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.946 -2.461 8.289 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.758 -0.593 10.253 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.757 -2.239 9.401 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.215 -2.505 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.306 -0.993 12.390 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.830 -1.800 12.775 1.00 0.00 H new ATOM 1049 N LEU A 62 -3.948 -0.448 3.800 1.00 0.00 N ATOM 1050 CA LEU A 62 -3.253 -0.595 2.567 1.00 0.00 C ATOM 1051 C LEU A 62 -1.782 -0.798 2.892 1.00 0.00 C ATOM 1052 O LEU A 62 -1.209 -0.039 3.687 1.00 0.00 O ATOM 1053 CB LEU A 62 -3.529 0.650 1.683 1.00 0.00 C ATOM 1054 CG LEU A 62 -2.977 0.662 0.248 1.00 0.00 C ATOM 1055 CD1 LEU A 62 -3.704 1.703 -0.572 1.00 0.00 C ATOM 1056 CD2 LEU A 62 -1.509 0.994 0.242 1.00 0.00 C ATOM 0 H LEU A 62 -3.513 0.210 4.447 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.590 -1.460 1.995 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.609 0.784 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.128 1.521 2.201 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.126 -0.330 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.309 1.707 -1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.768 1.468 -0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.560 2.686 -0.123 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.141 0.997 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.357 1.978 0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.965 0.248 0.821 1.00 0.00 H new ATOM 1068 N VAL A 63 -1.199 -1.832 2.323 1.00 0.00 N ATOM 1069 CA VAL A 63 0.180 -2.195 2.578 1.00 0.00 C ATOM 1070 C VAL A 63 0.999 -2.067 1.302 1.00 0.00 C ATOM 1071 O VAL A 63 0.645 -2.636 0.247 1.00 0.00 O ATOM 1072 CB VAL A 63 0.292 -3.645 3.138 1.00 0.00 C ATOM 1073 CG1 VAL A 63 1.746 -4.063 3.315 1.00 0.00 C ATOM 1074 CG2 VAL A 63 -0.437 -3.755 4.464 1.00 0.00 C ATOM 0 H VAL A 63 -1.673 -2.450 1.664 1.00 0.00 H new ATOM 0 HA VAL A 63 0.573 -1.511 3.330 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.170 -4.315 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.787 -5.079 3.707 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.255 -4.025 2.352 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.237 -3.385 4.013 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.350 -4.773 4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.004 -3.062 5.180 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.489 -3.509 4.322 1.00 0.00 H new ATOM 1084 N TYR A 64 2.074 -1.342 1.393 1.00 0.00 N ATOM 1085 CA TYR A 64 2.928 -1.102 0.265 1.00 0.00 C ATOM 1086 C TYR A 64 4.382 -1.201 0.664 1.00 0.00 C ATOM 1087 O TYR A 64 4.705 -1.101 1.838 1.00 0.00 O ATOM 1088 CB TYR A 64 2.628 0.275 -0.374 1.00 0.00 C ATOM 1089 CG TYR A 64 2.711 1.475 0.556 1.00 0.00 C ATOM 1090 CD1 TYR A 64 3.913 1.903 1.100 1.00 0.00 C ATOM 1091 CD2 TYR A 64 1.582 2.195 0.852 1.00 0.00 C ATOM 1092 CE1 TYR A 64 3.968 3.005 1.915 1.00 0.00 C ATOM 1093 CE2 TYR A 64 1.628 3.292 1.663 1.00 0.00 C ATOM 1094 CZ TYR A 64 2.826 3.695 2.195 1.00 0.00 C ATOM 1095 OH TYR A 64 2.878 4.785 3.014 1.00 0.00 O ATOM 0 H TYR A 64 2.386 -0.897 2.256 1.00 0.00 H new ATOM 0 HA TYR A 64 2.725 -1.871 -0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.325 0.430 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.627 0.243 -0.805 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.820 1.360 0.878 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.635 1.887 0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.911 3.324 2.333 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.724 3.840 1.885 1.00 0.00 H new ATOM 0 HH TYR A 64 3.809 5.073 3.116 1.00 0.00 H new ATOM 1105 N GLN A 65 5.231 -1.429 -0.290 1.00 0.00 N ATOM 1106 CA GLN A 65 6.649 -1.430 -0.061 1.00 0.00 C ATOM 1107 C GLN A 65 7.251 -0.202 -0.707 1.00 0.00 C ATOM 1108 O GLN A 65 6.942 0.118 -1.857 1.00 0.00 O ATOM 1109 CB GLN A 65 7.325 -2.721 -0.575 1.00 0.00 C ATOM 1110 CG GLN A 65 7.064 -3.037 -2.046 1.00 0.00 C ATOM 1111 CD GLN A 65 7.791 -4.280 -2.548 1.00 0.00 C ATOM 1112 OE1 GLN A 65 8.117 -4.382 -3.729 1.00 0.00 O ATOM 1113 NE2 GLN A 65 8.057 -5.223 -1.673 1.00 0.00 N ATOM 0 H GLN A 65 4.962 -1.621 -1.255 1.00 0.00 H new ATOM 0 HA GLN A 65 6.826 -1.403 1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.401 -2.637 -0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.981 -3.560 0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.992 -3.170 -2.195 1.00 0.00 H new ATOM 0 HG3 GLN A 65 7.366 -2.182 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.774 -5.110 -0.700 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.547 -6.068 -1.967 1.00 0.00 H new ATOM 1122 N VAL A 66 8.041 0.512 0.027 1.00 0.00 N ATOM 1123 CA VAL A 66 8.684 1.672 -0.511 1.00 0.00 C ATOM 1124 C VAL A 66 10.084 1.288 -0.878 1.00 0.00 C ATOM 1125 O VAL A 66 10.925 1.041 -0.011 1.00 0.00 O ATOM 1126 CB VAL A 66 8.712 2.849 0.500 1.00 0.00 C ATOM 1127 CG1 VAL A 66 9.434 4.058 -0.074 1.00 0.00 C ATOM 1128 CG2 VAL A 66 7.311 3.237 0.912 1.00 0.00 C ATOM 0 H VAL A 66 8.259 0.314 1.004 1.00 0.00 H new ATOM 0 HA VAL A 66 8.124 2.015 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 66 9.259 2.508 1.379 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.435 4.864 0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.461 3.787 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.924 4.391 -0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.356 4.064 1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.745 3.543 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.820 2.384 1.380 1.00 0.00 H new ATOM 1138 N ILE A 67 10.342 1.248 -2.142 1.00 0.00 N ATOM 1139 CA ILE A 67 11.624 0.865 -2.621 1.00 0.00 C ATOM 1140 C ILE A 67 12.379 2.127 -2.941 1.00 0.00 C ATOM 1141 O ILE A 67 12.137 2.755 -3.972 1.00 0.00 O ATOM 1142 CB ILE A 67 11.515 -0.007 -3.896 1.00 0.00 C ATOM 1143 CG1 ILE A 67 10.493 -1.139 -3.683 1.00 0.00 C ATOM 1144 CG2 ILE A 67 12.887 -0.600 -4.230 1.00 0.00 C ATOM 1145 CD1 ILE A 67 10.183 -1.935 -4.935 1.00 0.00 C ATOM 0 H ILE A 67 9.668 1.480 -2.872 1.00 0.00 H new ATOM 0 HA ILE A 67 12.135 0.273 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 67 11.178 0.616 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 67 10.872 -1.817 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 67 9.567 -0.711 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 67 12.809 -1.214 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 67 13.600 0.206 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 67 13.230 -1.215 -3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 67 9.456 -2.712 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 67 9.773 -1.271 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 67 11.098 -2.395 -5.310 1.00 0.00 H new ATOM 1157 N ASP A 68 13.252 2.518 -2.047 1.00 0.00 N ATOM 1158 CA ASP A 68 14.031 3.736 -2.181 1.00 0.00 C ATOM 1159 C ASP A 68 14.956 3.682 -3.371 1.00 0.00 C ATOM 1160 O ASP A 68 15.177 4.703 -4.036 1.00 0.00 O ATOM 1161 CB ASP A 68 14.843 4.027 -0.920 1.00 0.00 C ATOM 1162 CG ASP A 68 14.017 4.522 0.241 1.00 0.00 C ATOM 1163 OD1 ASP A 68 13.733 5.750 0.299 1.00 0.00 O ATOM 1164 OD2 ASP A 68 13.664 3.710 1.135 1.00 0.00 O ATOM 0 H ASP A 68 13.449 1.997 -1.193 1.00 0.00 H new ATOM 0 HA ASP A 68 13.314 4.543 -2.333 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.366 3.119 -0.620 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.604 4.771 -1.154 1.00 0.00 H new ATOM 1169 N GLU A 69 15.476 2.493 -3.663 1.00 0.00 N ATOM 1170 CA GLU A 69 16.391 2.303 -4.789 1.00 0.00 C ATOM 1171 C GLU A 69 15.706 2.578 -6.120 1.00 0.00 C ATOM 1172 O GLU A 69 16.307 3.132 -7.033 1.00 0.00 O ATOM 1173 CB GLU A 69 16.978 0.892 -4.807 1.00 0.00 C ATOM 1174 CG GLU A 69 17.751 0.523 -3.563 1.00 0.00 C ATOM 1175 CD GLU A 69 18.484 -0.785 -3.706 1.00 0.00 C ATOM 1176 OE1 GLU A 69 17.861 -1.849 -3.602 1.00 0.00 O ATOM 1177 OE2 GLU A 69 19.718 -0.757 -3.934 1.00 0.00 O ATOM 0 H GLU A 69 15.280 1.643 -3.135 1.00 0.00 H new ATOM 0 HA GLU A 69 17.200 3.020 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 69 16.167 0.176 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 69 17.636 0.796 -5.671 1.00 0.00 H new ATOM 0 HG2 GLU A 69 18.466 1.314 -3.336 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.065 0.461 -2.718 1.00 0.00 H new ATOM 1184 N LYS A 70 14.450 2.205 -6.214 1.00 0.00 N ATOM 1185 CA LYS A 70 13.694 2.374 -7.448 1.00 0.00 C ATOM 1186 C LYS A 70 12.834 3.633 -7.379 1.00 0.00 C ATOM 1187 O LYS A 70 12.212 4.030 -8.361 1.00 0.00 O ATOM 1188 CB LYS A 70 12.825 1.138 -7.695 1.00 0.00 C ATOM 1189 CG LYS A 70 13.611 -0.157 -7.838 1.00 0.00 C ATOM 1190 CD LYS A 70 12.684 -1.356 -7.997 1.00 0.00 C ATOM 1191 CE LYS A 70 13.469 -2.659 -8.091 1.00 0.00 C ATOM 1192 NZ LYS A 70 12.582 -3.834 -8.259 1.00 0.00 N ATOM 0 H LYS A 70 13.923 1.780 -5.451 1.00 0.00 H new ATOM 0 HA LYS A 70 14.390 2.486 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.119 1.033 -6.871 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.237 1.295 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.272 -0.089 -8.702 1.00 0.00 H new ATOM 0 HG3 LYS A 70 14.244 -0.299 -6.962 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.999 -1.403 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.076 -1.231 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.161 -2.605 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.070 -2.785 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.158 -4.698 -8.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.938 -3.902 -7.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.026 -3.728 -9.132 1.00 0.00 H new ATOM 1206 N VAL A 71 12.815 4.247 -6.188 1.00 0.00 N ATOM 1207 CA VAL A 71 12.083 5.495 -5.891 1.00 0.00 C ATOM 1208 C VAL A 71 10.556 5.280 -6.110 1.00 0.00 C ATOM 1209 O VAL A 71 9.798 6.197 -6.416 1.00 0.00 O ATOM 1210 CB VAL A 71 12.639 6.699 -6.750 1.00 0.00 C ATOM 1211 CG1 VAL A 71 12.093 8.049 -6.278 1.00 0.00 C ATOM 1212 CG2 VAL A 71 14.163 6.721 -6.716 1.00 0.00 C ATOM 0 H VAL A 71 13.320 3.883 -5.380 1.00 0.00 H new ATOM 0 HA VAL A 71 12.240 5.756 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 71 12.298 6.542 -7.773 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.504 8.845 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.006 8.050 -6.359 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.380 8.214 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.528 7.557 -7.313 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.502 6.835 -5.686 1.00 0.00 H new ATOM 0 HG23 VAL A 71 14.550 5.787 -7.124 1.00 0.00 H new ATOM 1222 N VAL A 72 10.102 4.084 -5.850 1.00 0.00 N ATOM 1223 CA VAL A 72 8.723 3.758 -6.101 1.00 0.00 C ATOM 1224 C VAL A 72 8.080 3.116 -4.881 1.00 0.00 C ATOM 1225 O VAL A 72 8.707 2.326 -4.159 1.00 0.00 O ATOM 1226 CB VAL A 72 8.551 2.843 -7.375 1.00 0.00 C ATOM 1227 CG1 VAL A 72 9.248 1.505 -7.212 1.00 0.00 C ATOM 1228 CG2 VAL A 72 7.080 2.638 -7.741 1.00 0.00 C ATOM 0 H VAL A 72 10.662 3.323 -5.467 1.00 0.00 H new ATOM 0 HA VAL A 72 8.207 4.696 -6.306 1.00 0.00 H new ATOM 0 HB VAL A 72 9.030 3.374 -8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.104 0.908 -8.112 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.314 1.667 -7.051 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.828 0.978 -6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.010 2.002 -8.624 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.561 2.162 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.620 3.603 -7.952 1.00 0.00 H new ATOM 1238 N VAL A 73 6.877 3.518 -4.633 1.00 0.00 N ATOM 1239 CA VAL A 73 6.047 2.962 -3.627 1.00 0.00 C ATOM 1240 C VAL A 73 5.150 1.959 -4.332 1.00 0.00 C ATOM 1241 O VAL A 73 4.344 2.322 -5.201 1.00 0.00 O ATOM 1242 CB VAL A 73 5.187 4.065 -2.960 1.00 0.00 C ATOM 1243 CG1 VAL A 73 4.294 3.492 -1.887 1.00 0.00 C ATOM 1244 CG2 VAL A 73 6.063 5.169 -2.391 1.00 0.00 C ATOM 0 H VAL A 73 6.431 4.275 -5.151 1.00 0.00 H new ATOM 0 HA VAL A 73 6.639 2.493 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 73 4.550 4.496 -3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.704 4.292 -1.439 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.626 2.751 -2.327 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.906 3.019 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.435 5.930 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.736 4.750 -1.643 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.648 5.619 -3.193 1.00 0.00 H new ATOM 1254 N PHE A 74 5.315 0.728 -3.999 1.00 0.00 N ATOM 1255 CA PHE A 74 4.629 -0.337 -4.662 1.00 0.00 C ATOM 1256 C PHE A 74 3.610 -0.961 -3.723 1.00 0.00 C ATOM 1257 O PHE A 74 3.974 -1.590 -2.730 1.00 0.00 O ATOM 1258 CB PHE A 74 5.673 -1.360 -5.126 1.00 0.00 C ATOM 1259 CG PHE A 74 5.151 -2.506 -5.931 1.00 0.00 C ATOM 1260 CD1 PHE A 74 4.757 -2.319 -7.241 1.00 0.00 C ATOM 1261 CD2 PHE A 74 5.091 -3.778 -5.391 1.00 0.00 C ATOM 1262 CE1 PHE A 74 4.310 -3.376 -7.998 1.00 0.00 C ATOM 1263 CE2 PHE A 74 4.642 -4.837 -6.140 1.00 0.00 C ATOM 1264 CZ PHE A 74 4.251 -4.636 -7.447 1.00 0.00 C ATOM 0 H PHE A 74 5.937 0.423 -3.250 1.00 0.00 H new ATOM 0 HA PHE A 74 4.083 0.034 -5.530 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.426 -0.839 -5.717 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.178 -1.759 -4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 74 4.800 -1.331 -7.676 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.401 -3.940 -4.369 1.00 0.00 H new ATOM 0 HE1 PHE A 74 4.006 -3.218 -9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.595 -5.825 -5.707 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.898 -5.468 -8.039 1.00 0.00 H new ATOM 1274 N VAL A 75 2.348 -0.754 -4.019 1.00 0.00 N ATOM 1275 CA VAL A 75 1.262 -1.280 -3.212 1.00 0.00 C ATOM 1276 C VAL A 75 1.134 -2.760 -3.467 1.00 0.00 C ATOM 1277 O VAL A 75 0.925 -3.175 -4.596 1.00 0.00 O ATOM 1278 CB VAL A 75 -0.082 -0.572 -3.526 1.00 0.00 C ATOM 1279 CG1 VAL A 75 -1.213 -1.117 -2.654 1.00 0.00 C ATOM 1280 CG2 VAL A 75 0.053 0.934 -3.354 1.00 0.00 C ATOM 0 H VAL A 75 2.040 -0.215 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 75 1.492 -1.095 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.335 -0.779 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.142 -0.601 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.332 -2.185 -2.838 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.973 -0.955 -1.603 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.900 1.413 -3.579 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.339 1.159 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.817 1.311 -4.034 1.00 0.00 H new ATOM 1290 N ILE A 76 1.253 -3.540 -2.428 1.00 0.00 N ATOM 1291 CA ILE A 76 1.238 -4.977 -2.571 1.00 0.00 C ATOM 1292 C ILE A 76 -0.150 -5.522 -2.263 1.00 0.00 C ATOM 1293 O ILE A 76 -0.663 -6.408 -2.952 1.00 0.00 O ATOM 1294 CB ILE A 76 2.245 -5.649 -1.601 1.00 0.00 C ATOM 1295 CG1 ILE A 76 3.627 -4.995 -1.700 1.00 0.00 C ATOM 1296 CG2 ILE A 76 2.358 -7.135 -1.922 1.00 0.00 C ATOM 1297 CD1 ILE A 76 4.623 -5.533 -0.689 1.00 0.00 C ATOM 0 H ILE A 76 1.362 -3.208 -1.470 1.00 0.00 H new ATOM 0 HA ILE A 76 1.518 -5.203 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 76 1.876 -5.519 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 76 4.022 -5.148 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.523 -3.919 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 76 3.066 -7.602 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 76 1.382 -7.606 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.707 -7.260 -2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 76 5.580 -5.026 -0.816 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.249 -5.356 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.756 -6.604 -0.844 1.00 0.00 H new ATOM 1309 N SER A 77 -0.763 -4.996 -1.230 1.00 0.00 N ATOM 1310 CA SER A 77 -2.042 -5.490 -0.790 1.00 0.00 C ATOM 1311 C SER A 77 -2.894 -4.363 -0.243 1.00 0.00 C ATOM 1312 O SER A 77 -2.371 -3.372 0.283 1.00 0.00 O ATOM 1313 CB SER A 77 -1.828 -6.559 0.274 1.00 0.00 C ATOM 1314 OG SER A 77 -1.010 -7.592 -0.235 1.00 0.00 O ATOM 0 H SER A 77 -0.393 -4.222 -0.677 1.00 0.00 H new ATOM 0 HA SER A 77 -2.568 -5.924 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.364 -6.118 1.156 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.788 -6.967 0.590 1.00 0.00 H new ATOM 0 HG SER A 77 -0.091 -7.467 0.080 1.00 0.00 H new ATOM 1320 N VAL A 78 -4.185 -4.503 -0.381 1.00 0.00 N ATOM 1321 CA VAL A 78 -5.118 -3.520 0.085 1.00 0.00 C ATOM 1322 C VAL A 78 -6.422 -4.226 0.493 1.00 0.00 C ATOM 1323 O VAL A 78 -6.767 -5.267 -0.082 1.00 0.00 O ATOM 1324 CB VAL A 78 -5.369 -2.439 -1.020 1.00 0.00 C ATOM 1325 CG1 VAL A 78 -6.014 -3.022 -2.266 1.00 0.00 C ATOM 1326 CG2 VAL A 78 -6.166 -1.278 -0.491 1.00 0.00 C ATOM 0 H VAL A 78 -4.620 -5.312 -0.825 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.712 -3.003 0.955 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.388 -2.066 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.166 -2.231 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.364 -3.789 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.975 -3.465 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.319 -0.549 -1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -7.132 -1.633 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.624 -0.809 0.331 1.00 0.00 H new ATOM 1336 N GLY A 79 -7.085 -3.715 1.509 1.00 0.00 N ATOM 1337 CA GLY A 79 -8.338 -4.283 1.956 1.00 0.00 C ATOM 1338 C GLY A 79 -8.508 -4.069 3.434 1.00 0.00 C ATOM 1339 O GLY A 79 -8.098 -3.044 3.953 1.00 0.00 O ATOM 0 H GLY A 79 -6.775 -2.903 2.043 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -9.167 -3.823 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -8.363 -5.349 1.730 1.00 0.00 H new ATOM 1343 N LYS A 80 -9.103 -4.998 4.123 1.00 0.00 N ATOM 1344 CA LYS A 80 -9.219 -4.872 5.554 1.00 0.00 C ATOM 1345 C LYS A 80 -8.136 -5.680 6.216 1.00 0.00 C ATOM 1346 O LYS A 80 -7.535 -6.564 5.597 1.00 0.00 O ATOM 1347 CB LYS A 80 -10.578 -5.321 6.081 1.00 0.00 C ATOM 1348 CG LYS A 80 -11.768 -4.559 5.517 1.00 0.00 C ATOM 1349 CD LYS A 80 -13.055 -4.902 6.264 1.00 0.00 C ATOM 1350 CE LYS A 80 -13.334 -6.401 6.285 1.00 0.00 C ATOM 1351 NZ LYS A 80 -13.532 -6.965 4.934 1.00 0.00 N ATOM 0 H LYS A 80 -9.513 -5.844 3.727 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.114 -3.814 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -10.705 -6.381 5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -10.582 -5.220 7.166 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.581 -3.487 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -11.885 -4.796 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -12.987 -4.534 7.288 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.893 -4.386 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.503 -6.914 6.770 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.222 -6.592 6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.735 -7.982 5.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -14.331 -6.486 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.670 -6.824 4.369 1.00 0.00 H new ATOM 1365 N ALA A 81 -7.896 -5.396 7.459 1.00 0.00 N ATOM 1366 CA ALA A 81 -6.901 -6.086 8.211 1.00 0.00 C ATOM 1367 C ALA A 81 -7.481 -6.502 9.531 1.00 0.00 C ATOM 1368 O ALA A 81 -7.802 -5.661 10.366 1.00 0.00 O ATOM 1369 CB ALA A 81 -5.681 -5.210 8.418 1.00 0.00 C ATOM 0 H ALA A 81 -8.390 -4.673 7.982 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.585 -6.972 7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.934 -5.756 8.994 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.262 -4.935 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -5.968 -4.308 8.959 1.00 0.00 H new ATOM 1426 N VAL A 86 -3.779 -8.565 5.450 1.00 0.00 N ATOM 1427 CA VAL A 86 -2.929 -7.749 4.584 1.00 0.00 C ATOM 1428 C VAL A 86 -1.468 -8.118 4.726 1.00 0.00 C ATOM 1429 O VAL A 86 -0.623 -7.630 3.996 1.00 0.00 O ATOM 1430 CB VAL A 86 -3.111 -6.226 4.837 1.00 0.00 C ATOM 1431 CG1 VAL A 86 -4.515 -5.776 4.462 1.00 0.00 C ATOM 1432 CG2 VAL A 86 -2.805 -5.872 6.292 1.00 0.00 C ATOM 0 HA VAL A 86 -3.250 -7.963 3.564 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.402 -5.696 4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.616 -4.707 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.692 -5.979 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -5.244 -6.320 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.940 -4.801 6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.481 -6.418 6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.775 -6.144 6.524 1.00 0.00 H new ATOM 1442 N TYR A 87 -1.183 -8.988 5.659 1.00 0.00 N ATOM 1443 CA TYR A 87 0.178 -9.385 5.908 1.00 0.00 C ATOM 1444 C TYR A 87 0.535 -10.568 5.043 1.00 0.00 C ATOM 1445 O TYR A 87 1.588 -10.587 4.414 1.00 0.00 O ATOM 1446 CB TYR A 87 0.404 -9.689 7.392 1.00 0.00 C ATOM 1447 CG TYR A 87 0.196 -8.490 8.302 1.00 0.00 C ATOM 1448 CD1 TYR A 87 1.218 -7.578 8.525 1.00 0.00 C ATOM 1449 CD2 TYR A 87 -1.019 -8.272 8.934 1.00 0.00 C ATOM 1450 CE1 TYR A 87 1.034 -6.484 9.351 1.00 0.00 C ATOM 1451 CE2 TYR A 87 -1.211 -7.183 9.762 1.00 0.00 C ATOM 1452 CZ TYR A 87 -0.184 -6.291 9.971 1.00 0.00 C ATOM 1453 OH TYR A 87 -0.380 -5.193 10.801 1.00 0.00 O ATOM 0 H TYR A 87 -1.876 -9.436 6.259 1.00 0.00 H new ATOM 0 HA TYR A 87 0.836 -8.556 5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -0.273 -10.487 7.697 1.00 0.00 H new ATOM 0 HB3 TYR A 87 1.419 -10.064 7.526 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.174 -7.725 8.045 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.831 -8.967 8.776 1.00 0.00 H new ATOM 0 HE1 TYR A 87 1.840 -5.783 9.510 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -2.165 -7.032 10.244 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.294 -5.209 11.155 1.00 0.00 H new ATOM 1463 N SER A 88 -0.367 -11.533 4.977 1.00 0.00 N ATOM 1464 CA SER A 88 -0.154 -12.710 4.175 1.00 0.00 C ATOM 1465 C SER A 88 -0.087 -12.383 2.695 1.00 0.00 C ATOM 1466 O SER A 88 0.866 -12.769 2.036 1.00 0.00 O ATOM 1467 CB SER A 88 -1.205 -13.762 4.468 1.00 0.00 C ATOM 1468 OG SER A 88 -1.106 -14.187 5.822 1.00 0.00 O ATOM 0 H SER A 88 -1.257 -11.517 5.475 1.00 0.00 H new ATOM 0 HA SER A 88 0.817 -13.123 4.449 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.199 -13.357 4.277 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.074 -14.614 3.801 1.00 0.00 H new ATOM 0 HG SER A 88 -1.790 -14.865 6.003 1.00 0.00 H new ATOM 1474 N GLU A 89 -1.043 -11.597 2.194 1.00 0.00 N ATOM 1475 CA GLU A 89 -1.074 -11.259 0.766 1.00 0.00 C ATOM 1476 C GLU A 89 0.203 -10.518 0.365 1.00 0.00 C ATOM 1477 O GLU A 89 0.708 -10.684 -0.754 1.00 0.00 O ATOM 1478 CB GLU A 89 -2.302 -10.400 0.425 1.00 0.00 C ATOM 1479 CG GLU A 89 -3.652 -11.037 0.727 1.00 0.00 C ATOM 1480 CD GLU A 89 -3.876 -12.323 -0.016 1.00 0.00 C ATOM 1481 OE1 GLU A 89 -4.079 -12.295 -1.248 1.00 0.00 O ATOM 1482 OE2 GLU A 89 -3.874 -13.393 0.614 1.00 0.00 O ATOM 0 H GLU A 89 -1.797 -11.187 2.745 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.139 -12.191 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.231 -9.462 0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.266 -10.151 -0.636 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.727 -11.225 1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.444 -10.334 0.471 1.00 0.00 H new ATOM 1489 N ALA A 90 0.744 -9.763 1.305 1.00 0.00 N ATOM 1490 CA ALA A 90 1.944 -9.013 1.078 1.00 0.00 C ATOM 1491 C ALA A 90 3.172 -9.915 1.088 1.00 0.00 C ATOM 1492 O ALA A 90 3.919 -9.960 0.113 1.00 0.00 O ATOM 1493 CB ALA A 90 2.082 -7.894 2.100 1.00 0.00 C ATOM 0 H ALA A 90 0.356 -9.660 2.243 1.00 0.00 H new ATOM 0 HA ALA A 90 1.874 -8.563 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.000 -7.338 1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 90 1.227 -7.222 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.118 -8.320 3.103 1.00 0.00 H new