USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 759 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 50 TYR OH : rot 50:sc= 1.99 USER MOD Set 1.2: A 59 THR OG1 : rot -176:sc= 0.939 USER MOD Set 1.3: A 62 GLN : amide:sc= 0.197! K(o=3.1!,f=2) USER MOD Single : A 30 LYS NZ :NH3+ 166:sc=-0.00992 (180deg=-0.173) USER MOD Single : A 34 GLN : amide:sc= -0.606 X(o=-0.61,f=-0.26) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0398) USER MOD Single : A 38 SER OG : rot 67:sc= 0.989 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0806) USER MOD Single : A 54 ASN : amide:sc= -1.5! X(o=-1.5!,f=-1.4) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 21:sc= 1.26 USER MOD Single : A 60 THR OG1 : rot 79:sc= 0.294 USER MOD Single : A 65 GLN : amide:sc= -2.18! K(o=-2.2!,f=-0.88) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 76 HIS : no HD1:sc= -0.0548 X(o=-0.055,f=0.0013) USER MOD Single : A 79 ASN : amide:sc= 0.592 K(o=0.59,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= -0.0231 USER MOD Single : A 91 GLN : amide:sc= 0.98 K(o=0.98,f=-0.89) USER MOD Single : A 96 SER OG : rot 147:sc= 0.338 USER MOD Single : A 98 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 99 GLN : amide:sc= 0.375 K(o=0.37,f=-0.66) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0.128 X(o=0.13,f=-0.13) USER MOD Single : A 106 HIS : no HD1:sc= -0.457 K(o=-0.46,f=0.12) USER MOD Single : A 108 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.088) USER MOD Single : A 113 SER OG : rot 76:sc= 0.686 USER MOD Single : A 122 SER OG : rot 45:sc= -9.49! USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 128 ASN : amide:sc= 0.496 K(o=0.5,f=-5.3!) USER MOD Single : A 130 THR OG1 : rot -150:sc= 0.84 USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 29 19.530 -5.795 -5.023 1.00 0.00 N ATOM 64 CA GLU A 29 18.729 -4.869 -4.234 1.00 0.00 C ATOM 65 C GLU A 29 17.755 -4.095 -5.114 1.00 0.00 C ATOM 66 O GLU A 29 16.597 -3.904 -4.747 1.00 0.00 O ATOM 67 CB GLU A 29 19.629 -3.894 -3.480 1.00 0.00 C ATOM 68 CG GLU A 29 18.944 -3.253 -2.287 1.00 0.00 C ATOM 69 CD GLU A 29 18.779 -4.219 -1.130 1.00 0.00 C ATOM 70 OE1 GLU A 29 19.371 -3.968 -0.060 1.00 0.00 O ATOM 71 OE2 GLU A 29 18.079 -5.242 -1.286 1.00 0.00 O ATOM 0 HA GLU A 29 18.155 -5.455 -3.517 1.00 0.00 H new ATOM 0 HB2 GLU A 29 20.521 -4.421 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 29 19.962 -3.113 -4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 29 19.524 -2.391 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 29 17.965 -2.881 -2.590 1.00 0.00 H new ATOM 78 N LYS A 30 18.226 -3.666 -6.281 1.00 0.00 N ATOM 79 CA LYS A 30 17.393 -2.910 -7.206 1.00 0.00 C ATOM 80 C LYS A 30 16.202 -3.743 -7.655 1.00 0.00 C ATOM 81 O LYS A 30 15.066 -3.270 -7.658 1.00 0.00 O ATOM 82 CB LYS A 30 18.198 -2.460 -8.427 1.00 0.00 C ATOM 83 CG LYS A 30 19.384 -1.575 -8.087 1.00 0.00 C ATOM 84 CD LYS A 30 20.010 -0.989 -9.342 1.00 0.00 C ATOM 85 CE LYS A 30 21.251 -0.173 -9.020 1.00 0.00 C ATOM 86 NZ LYS A 30 22.353 -1.022 -8.496 1.00 0.00 N ATOM 0 H LYS A 30 19.179 -3.829 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 30 17.032 -2.025 -6.682 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.555 -3.341 -8.960 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.538 -1.922 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 30 19.062 -0.769 -7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 30 20.129 -2.155 -7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.271 -1.794 -10.029 1.00 0.00 H new ATOM 0 HD3 LYS A 30 19.282 -0.359 -9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.588 0.345 -9.918 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.002 0.592 -8.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.243 -0.484 -8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 22.138 -1.306 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.450 -1.870 -9.090 1.00 0.00 H new ATOM 100 N ALA A 31 16.469 -4.993 -8.012 1.00 0.00 N ATOM 101 CA ALA A 31 15.427 -5.897 -8.472 1.00 0.00 C ATOM 102 C ALA A 31 14.408 -6.168 -7.367 1.00 0.00 C ATOM 103 O ALA A 31 13.201 -6.223 -7.619 1.00 0.00 O ATOM 104 CB ALA A 31 16.042 -7.199 -8.961 1.00 0.00 C ATOM 0 H ALA A 31 17.403 -5.403 -7.991 1.00 0.00 H new ATOM 0 HA ALA A 31 14.903 -5.421 -9.301 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.253 -7.868 -9.303 1.00 0.00 H new ATOM 0 HB2 ALA A 31 16.725 -6.992 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 31 16.590 -7.671 -8.146 1.00 0.00 H new ATOM 110 N ASP A 32 14.900 -6.325 -6.140 1.00 0.00 N ATOM 111 CA ASP A 32 14.031 -6.588 -4.995 1.00 0.00 C ATOM 112 C ASP A 32 13.141 -5.393 -4.695 1.00 0.00 C ATOM 113 O ASP A 32 11.934 -5.544 -4.509 1.00 0.00 O ATOM 114 CB ASP A 32 14.845 -6.937 -3.744 1.00 0.00 C ATOM 115 CG ASP A 32 15.379 -8.353 -3.757 1.00 0.00 C ATOM 116 OD1 ASP A 32 16.599 -8.533 -3.952 1.00 0.00 O ATOM 117 OD2 ASP A 32 14.582 -9.295 -3.571 1.00 0.00 O ATOM 0 H ASP A 32 15.893 -6.275 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 32 13.407 -7.441 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 32 15.680 -6.241 -3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 32 14.220 -6.799 -2.862 1.00 0.00 H new ATOM 122 N ARG A 33 13.729 -4.205 -4.654 1.00 0.00 N ATOM 123 CA ARG A 33 12.967 -3.008 -4.336 1.00 0.00 C ATOM 124 C ARG A 33 12.003 -2.644 -5.462 1.00 0.00 C ATOM 125 O ARG A 33 10.924 -2.132 -5.202 1.00 0.00 O ATOM 126 CB ARG A 33 13.866 -1.829 -3.954 1.00 0.00 C ATOM 127 CG ARG A 33 14.814 -1.358 -5.035 1.00 0.00 C ATOM 128 CD ARG A 33 15.729 -0.268 -4.502 1.00 0.00 C ATOM 129 NE ARG A 33 14.991 0.912 -4.045 1.00 0.00 N ATOM 130 CZ ARG A 33 14.980 1.345 -2.780 1.00 0.00 C ATOM 131 NH1 ARG A 33 15.561 0.633 -1.823 1.00 0.00 N ATOM 132 NH2 ARG A 33 14.360 2.474 -2.466 1.00 0.00 N ATOM 0 H ARG A 33 14.720 -4.046 -4.835 1.00 0.00 H new ATOM 0 HA ARG A 33 12.369 -3.239 -3.455 1.00 0.00 H new ATOM 0 HB2 ARG A 33 13.233 -0.992 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.451 -2.109 -3.078 1.00 0.00 H new ATOM 0 HG2 ARG A 33 15.409 -2.197 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 33 14.246 -0.981 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.319 -0.665 -3.676 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.431 0.026 -5.282 1.00 0.00 H new ATOM 0 HE ARG A 33 14.452 1.436 -4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.019 -0.249 -2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 33 15.550 0.968 -0.860 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.889 3.016 -3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.354 2.801 -1.500 1.00 0.00 H new ATOM 146 N GLN A 34 12.395 -2.884 -6.713 1.00 0.00 N ATOM 147 CA GLN A 34 11.482 -2.687 -7.840 1.00 0.00 C ATOM 148 C GLN A 34 10.261 -3.599 -7.712 1.00 0.00 C ATOM 149 O GLN A 34 9.137 -3.196 -8.017 1.00 0.00 O ATOM 150 CB GLN A 34 12.192 -2.933 -9.172 1.00 0.00 C ATOM 151 CG GLN A 34 13.042 -1.761 -9.636 1.00 0.00 C ATOM 152 CD GLN A 34 12.209 -0.530 -9.947 1.00 0.00 C ATOM 153 OE1 GLN A 34 11.741 -0.353 -11.069 1.00 0.00 O ATOM 154 NE2 GLN A 34 12.019 0.332 -8.960 1.00 0.00 N ATOM 0 H GLN A 34 13.326 -3.211 -6.971 1.00 0.00 H new ATOM 0 HA GLN A 34 11.145 -1.650 -7.820 1.00 0.00 H new ATOM 0 HB2 GLN A 34 12.825 -3.815 -9.079 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.447 -3.155 -9.936 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.772 -1.517 -8.864 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.602 -2.051 -10.525 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.423 0.152 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.469 1.176 -9.119 1.00 0.00 H new ATOM 163 N LYS A 35 10.490 -4.825 -7.245 1.00 0.00 N ATOM 164 CA LYS A 35 9.400 -5.747 -6.943 1.00 0.00 C ATOM 165 C LYS A 35 8.530 -5.163 -5.834 1.00 0.00 C ATOM 166 O LYS A 35 7.303 -5.246 -5.876 1.00 0.00 O ATOM 167 CB LYS A 35 9.968 -7.109 -6.527 1.00 0.00 C ATOM 168 CG LYS A 35 8.923 -8.100 -6.039 1.00 0.00 C ATOM 169 CD LYS A 35 9.558 -9.429 -5.660 1.00 0.00 C ATOM 170 CE LYS A 35 8.570 -10.353 -4.965 1.00 0.00 C ATOM 171 NZ LYS A 35 7.387 -10.650 -5.813 1.00 0.00 N ATOM 0 H LYS A 35 11.421 -5.202 -7.068 1.00 0.00 H new ATOM 0 HA LYS A 35 8.785 -5.889 -7.832 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.496 -7.544 -7.376 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.704 -6.957 -5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.400 -7.685 -5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.178 -8.259 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.942 -9.916 -6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.410 -9.250 -5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.070 -11.285 -4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.241 -9.895 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.810 -11.386 -5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.819 -9.787 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.703 -10.986 -6.745 1.00 0.00 H new ATOM 185 N VAL A 36 9.187 -4.540 -4.865 1.00 0.00 N ATOM 186 CA VAL A 36 8.505 -3.851 -3.778 1.00 0.00 C ATOM 187 C VAL A 36 7.630 -2.719 -4.317 1.00 0.00 C ATOM 188 O VAL A 36 6.462 -2.605 -3.955 1.00 0.00 O ATOM 189 CB VAL A 36 9.528 -3.291 -2.763 1.00 0.00 C ATOM 190 CG1 VAL A 36 8.907 -2.236 -1.863 1.00 0.00 C ATOM 191 CG2 VAL A 36 10.117 -4.417 -1.928 1.00 0.00 C ATOM 0 H VAL A 36 10.205 -4.498 -4.810 1.00 0.00 H new ATOM 0 HA VAL A 36 7.865 -4.573 -3.271 1.00 0.00 H new ATOM 0 HB VAL A 36 10.327 -2.813 -3.330 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.657 -1.867 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 36 8.540 -1.409 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.078 -2.674 -1.308 1.00 0.00 H new ATOM 0 HG21 VAL A 36 10.835 -4.006 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.319 -4.923 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.620 -5.130 -2.581 1.00 0.00 H new ATOM 201 N VAL A 37 8.198 -1.908 -5.203 1.00 0.00 N ATOM 202 CA VAL A 37 7.477 -0.797 -5.815 1.00 0.00 C ATOM 203 C VAL A 37 6.261 -1.296 -6.593 1.00 0.00 C ATOM 204 O VAL A 37 5.200 -0.674 -6.565 1.00 0.00 O ATOM 205 CB VAL A 37 8.387 0.027 -6.756 1.00 0.00 C ATOM 206 CG1 VAL A 37 7.610 1.159 -7.414 1.00 0.00 C ATOM 207 CG2 VAL A 37 9.580 0.582 -5.994 1.00 0.00 C ATOM 0 H VAL A 37 9.164 -2.001 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 37 7.144 -0.151 -5.003 1.00 0.00 H new ATOM 0 HB VAL A 37 8.750 -0.639 -7.539 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.273 1.722 -8.070 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.788 0.745 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.211 1.821 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 37 10.209 1.159 -6.672 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.229 1.227 -5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.159 -0.241 -5.574 1.00 0.00 H new ATOM 217 N SER A 38 6.416 -2.427 -7.273 1.00 0.00 N ATOM 218 CA SER A 38 5.325 -3.005 -8.053 1.00 0.00 C ATOM 219 C SER A 38 4.118 -3.303 -7.160 1.00 0.00 C ATOM 220 O SER A 38 2.978 -2.961 -7.494 1.00 0.00 O ATOM 221 CB SER A 38 5.798 -4.289 -8.739 1.00 0.00 C ATOM 222 OG SER A 38 6.937 -4.048 -9.553 1.00 0.00 O ATOM 0 H SER A 38 7.284 -2.962 -7.301 1.00 0.00 H new ATOM 0 HA SER A 38 5.022 -2.283 -8.811 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.038 -5.039 -7.986 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.992 -4.697 -9.349 1.00 0.00 H new ATOM 0 HG SER A 38 7.701 -3.814 -8.986 1.00 0.00 H new ATOM 228 N ASP A 39 4.377 -3.933 -6.022 1.00 0.00 N ATOM 229 CA ASP A 39 3.327 -4.222 -5.053 1.00 0.00 C ATOM 230 C ASP A 39 2.849 -2.946 -4.383 1.00 0.00 C ATOM 231 O ASP A 39 1.675 -2.809 -4.063 1.00 0.00 O ATOM 232 CB ASP A 39 3.810 -5.208 -3.995 1.00 0.00 C ATOM 233 CG ASP A 39 3.932 -6.618 -4.523 1.00 0.00 C ATOM 234 OD1 ASP A 39 5.002 -6.966 -5.056 1.00 0.00 O ATOM 235 OD2 ASP A 39 2.962 -7.393 -4.394 1.00 0.00 O ATOM 0 H ASP A 39 5.305 -4.254 -5.747 1.00 0.00 H new ATOM 0 HA ASP A 39 2.496 -4.673 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.778 -4.882 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.118 -5.199 -3.153 1.00 0.00 H new ATOM 240 N LEU A 40 3.773 -2.020 -4.174 1.00 0.00 N ATOM 241 CA LEU A 40 3.469 -0.740 -3.549 1.00 0.00 C ATOM 242 C LEU A 40 2.426 0.018 -4.367 1.00 0.00 C ATOM 243 O LEU A 40 1.468 0.564 -3.819 1.00 0.00 O ATOM 244 CB LEU A 40 4.750 0.086 -3.425 1.00 0.00 C ATOM 245 CG LEU A 40 4.653 1.339 -2.556 1.00 0.00 C ATOM 246 CD1 LEU A 40 4.487 0.963 -1.092 1.00 0.00 C ATOM 247 CD2 LEU A 40 5.885 2.206 -2.749 1.00 0.00 C ATOM 0 H LEU A 40 4.753 -2.134 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 40 3.060 -0.918 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.534 -0.554 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.066 0.384 -4.425 1.00 0.00 H new ATOM 0 HG LEU A 40 3.775 1.908 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.420 1.869 -0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.577 0.376 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.345 0.374 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.805 3.096 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.774 1.643 -2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.961 2.502 -3.795 1.00 0.00 H new ATOM 259 N VAL A 41 2.613 0.038 -5.683 1.00 0.00 N ATOM 260 CA VAL A 41 1.648 0.662 -6.582 1.00 0.00 C ATOM 261 C VAL A 41 0.301 -0.054 -6.493 1.00 0.00 C ATOM 262 O VAL A 41 -0.752 0.586 -6.465 1.00 0.00 O ATOM 263 CB VAL A 41 2.146 0.658 -8.047 1.00 0.00 C ATOM 264 CG1 VAL A 41 1.107 1.267 -8.978 1.00 0.00 C ATOM 265 CG2 VAL A 41 3.467 1.405 -8.165 1.00 0.00 C ATOM 0 H VAL A 41 3.423 -0.370 -6.150 1.00 0.00 H new ATOM 0 HA VAL A 41 1.531 1.699 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 41 2.304 -0.378 -8.346 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.482 1.252 -10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.184 0.689 -8.921 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.909 2.296 -8.679 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.801 1.391 -9.202 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.332 2.437 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.215 0.922 -7.536 1.00 0.00 H new ATOM 275 N ALA A 42 0.343 -1.382 -6.428 1.00 0.00 N ATOM 276 CA ALA A 42 -0.870 -2.185 -6.290 1.00 0.00 C ATOM 277 C ALA A 42 -1.596 -1.864 -4.985 1.00 0.00 C ATOM 278 O ALA A 42 -2.826 -1.799 -4.950 1.00 0.00 O ATOM 279 CB ALA A 42 -0.536 -3.668 -6.356 1.00 0.00 C ATOM 0 H ALA A 42 1.205 -1.926 -6.469 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.534 -1.937 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.450 -4.252 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -0.069 -3.893 -7.315 1.00 0.00 H new ATOM 0 HB3 ALA A 42 0.151 -3.922 -5.549 1.00 0.00 H new ATOM 285 N LEU A 43 -0.826 -1.655 -3.922 1.00 0.00 N ATOM 286 CA LEU A 43 -1.381 -1.294 -2.620 1.00 0.00 C ATOM 287 C LEU A 43 -2.148 0.010 -2.718 1.00 0.00 C ATOM 288 O LEU A 43 -3.288 0.112 -2.268 1.00 0.00 O ATOM 289 CB LEU A 43 -0.261 -1.128 -1.587 1.00 0.00 C ATOM 290 CG LEU A 43 0.477 -2.402 -1.191 1.00 0.00 C ATOM 291 CD1 LEU A 43 1.601 -2.066 -0.229 1.00 0.00 C ATOM 292 CD2 LEU A 43 -0.481 -3.396 -0.559 1.00 0.00 C ATOM 0 H LEU A 43 0.191 -1.730 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.052 -2.094 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.466 -0.418 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.687 -0.684 -0.687 1.00 0.00 H new ATOM 0 HG LEU A 43 0.901 -2.858 -2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.125 -2.980 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.298 -1.380 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.188 -1.597 0.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.062 -4.300 -0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.928 -2.954 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.266 -3.649 -1.272 1.00 0.00 H new ATOM 304 N GLU A 44 -1.518 0.995 -3.329 1.00 0.00 N ATOM 305 CA GLU A 44 -2.119 2.303 -3.479 1.00 0.00 C ATOM 306 C GLU A 44 -3.328 2.223 -4.405 1.00 0.00 C ATOM 307 O GLU A 44 -4.330 2.903 -4.196 1.00 0.00 O ATOM 308 CB GLU A 44 -1.085 3.285 -4.013 1.00 0.00 C ATOM 309 CG GLU A 44 -1.519 4.731 -3.918 1.00 0.00 C ATOM 310 CD GLU A 44 -0.403 5.683 -4.266 1.00 0.00 C ATOM 311 OE1 GLU A 44 -0.347 6.132 -5.431 1.00 0.00 O ATOM 312 OE2 GLU A 44 0.418 5.987 -3.372 1.00 0.00 O ATOM 0 H GLU A 44 -0.584 0.911 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.462 2.657 -2.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.154 3.156 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.873 3.046 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.362 4.901 -4.588 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.869 4.938 -2.907 1.00 0.00 H new ATOM 319 N GLY A 45 -3.228 1.372 -5.419 1.00 0.00 N ATOM 320 CA GLY A 45 -4.344 1.150 -6.315 1.00 0.00 C ATOM 321 C GLY A 45 -5.548 0.584 -5.592 1.00 0.00 C ATOM 322 O GLY A 45 -6.680 0.969 -5.872 1.00 0.00 O ATOM 0 H GLY A 45 -2.391 0.831 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.617 2.090 -6.793 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.042 0.465 -7.107 1.00 0.00 H new ATOM 326 N ALA A 46 -5.309 -0.330 -4.655 1.00 0.00 N ATOM 327 CA ALA A 46 -6.382 -0.875 -3.831 1.00 0.00 C ATOM 328 C ALA A 46 -7.012 0.228 -2.989 1.00 0.00 C ATOM 329 O ALA A 46 -8.231 0.281 -2.823 1.00 0.00 O ATOM 330 CB ALA A 46 -5.858 -1.993 -2.943 1.00 0.00 C ATOM 0 H ALA A 46 -4.384 -0.707 -4.448 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.147 -1.291 -4.487 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.673 -2.387 -2.336 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.450 -2.790 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.075 -1.604 -2.292 1.00 0.00 H new ATOM 336 N LEU A 47 -6.168 1.115 -2.476 1.00 0.00 N ATOM 337 CA LEU A 47 -6.624 2.276 -1.722 1.00 0.00 C ATOM 338 C LEU A 47 -7.509 3.167 -2.585 1.00 0.00 C ATOM 339 O LEU A 47 -8.597 3.573 -2.168 1.00 0.00 O ATOM 340 CB LEU A 47 -5.420 3.080 -1.209 1.00 0.00 C ATOM 341 CG LEU A 47 -4.888 2.699 0.178 1.00 0.00 C ATOM 342 CD1 LEU A 47 -4.662 1.203 0.298 1.00 0.00 C ATOM 343 CD2 LEU A 47 -3.598 3.448 0.464 1.00 0.00 C ATOM 0 H LEU A 47 -5.154 1.051 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.209 1.923 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.607 2.975 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.695 4.134 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.641 2.981 0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.285 0.971 1.294 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.604 0.679 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.935 0.884 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.228 3.171 1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.853 3.190 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.786 4.521 0.435 1.00 0.00 H new ATOM 355 N ASP A 48 -7.038 3.461 -3.790 1.00 0.00 N ATOM 356 CA ASP A 48 -7.780 4.297 -4.726 1.00 0.00 C ATOM 357 C ASP A 48 -9.084 3.631 -5.148 1.00 0.00 C ATOM 358 O ASP A 48 -10.103 4.302 -5.321 1.00 0.00 O ATOM 359 CB ASP A 48 -6.935 4.619 -5.961 1.00 0.00 C ATOM 360 CG ASP A 48 -5.912 5.709 -5.696 1.00 0.00 C ATOM 361 OD1 ASP A 48 -4.705 5.458 -5.880 1.00 0.00 O ATOM 362 OD2 ASP A 48 -6.317 6.829 -5.312 1.00 0.00 O ATOM 0 H ASP A 48 -6.140 3.131 -4.144 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.019 5.228 -4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.422 3.716 -6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.590 4.930 -6.775 1.00 0.00 H new ATOM 367 N MET A 49 -9.055 2.313 -5.305 1.00 0.00 N ATOM 368 CA MET A 49 -10.253 1.564 -5.668 1.00 0.00 C ATOM 369 C MET A 49 -11.264 1.583 -4.528 1.00 0.00 C ATOM 370 O MET A 49 -12.467 1.726 -4.752 1.00 0.00 O ATOM 371 CB MET A 49 -9.910 0.121 -6.051 1.00 0.00 C ATOM 372 CG MET A 49 -9.162 0.001 -7.370 1.00 0.00 C ATOM 373 SD MET A 49 -10.126 0.600 -8.773 1.00 0.00 S ATOM 374 CE MET A 49 -8.985 0.299 -10.122 1.00 0.00 C ATOM 0 H MET A 49 -8.218 1.742 -5.187 1.00 0.00 H new ATOM 0 HA MET A 49 -10.697 2.048 -6.538 1.00 0.00 H new ATOM 0 HB2 MET A 49 -9.306 -0.322 -5.259 1.00 0.00 H new ATOM 0 HB3 MET A 49 -10.831 -0.458 -6.112 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.231 0.564 -7.307 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.894 -1.042 -7.537 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.438 0.619 -11.060 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.066 0.860 -9.953 1.00 0.00 H new ATOM 0 HE3 MET A 49 -8.756 -0.765 -10.174 1.00 0.00 H new ATOM 384 N TYR A 50 -10.769 1.454 -3.304 1.00 0.00 N ATOM 385 CA TYR A 50 -11.621 1.536 -2.127 1.00 0.00 C ATOM 386 C TYR A 50 -12.235 2.930 -2.028 1.00 0.00 C ATOM 387 O TYR A 50 -13.402 3.081 -1.668 1.00 0.00 O ATOM 388 CB TYR A 50 -10.818 1.204 -0.863 1.00 0.00 C ATOM 389 CG TYR A 50 -11.632 1.255 0.414 1.00 0.00 C ATOM 390 CD1 TYR A 50 -12.303 0.132 0.887 1.00 0.00 C ATOM 391 CD2 TYR A 50 -11.727 2.428 1.146 1.00 0.00 C ATOM 392 CE1 TYR A 50 -13.046 0.184 2.054 1.00 0.00 C ATOM 393 CE2 TYR A 50 -12.464 2.488 2.309 1.00 0.00 C ATOM 394 CZ TYR A 50 -13.122 1.367 2.761 1.00 0.00 C ATOM 395 OH TYR A 50 -13.856 1.430 3.924 1.00 0.00 O ATOM 0 H TYR A 50 -9.783 1.292 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 50 -12.426 0.807 -2.218 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.389 0.208 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.986 1.903 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.243 -0.795 0.335 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.214 3.312 0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -13.563 -0.695 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.525 3.412 2.864 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.604 0.686 4.510 1.00 0.00 H new ATOM 405 N LYS A 51 -11.441 3.944 -2.363 1.00 0.00 N ATOM 406 CA LYS A 51 -11.911 5.324 -2.369 1.00 0.00 C ATOM 407 C LYS A 51 -12.938 5.541 -3.474 1.00 0.00 C ATOM 408 O LYS A 51 -13.851 6.346 -3.333 1.00 0.00 O ATOM 409 CB LYS A 51 -10.739 6.296 -2.542 1.00 0.00 C ATOM 410 CG LYS A 51 -11.153 7.760 -2.492 1.00 0.00 C ATOM 411 CD LYS A 51 -9.964 8.688 -2.679 1.00 0.00 C ATOM 412 CE LYS A 51 -10.377 10.151 -2.585 1.00 0.00 C ATOM 413 NZ LYS A 51 -11.286 10.552 -3.692 1.00 0.00 N ATOM 0 H LYS A 51 -10.464 3.833 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.387 5.520 -1.408 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.003 6.108 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.250 6.097 -3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -11.893 7.956 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.632 7.970 -1.536 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.210 8.472 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.504 8.500 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.872 10.326 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.487 10.780 -2.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.432 11.581 -3.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -10.862 10.286 -4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.201 10.070 -3.582 1.00 0.00 H new ATOM 427 N LEU A 52 -12.781 4.831 -4.577 1.00 0.00 N ATOM 428 CA LEU A 52 -13.729 4.928 -5.675 1.00 0.00 C ATOM 429 C LEU A 52 -15.111 4.454 -5.230 1.00 0.00 C ATOM 430 O LEU A 52 -16.113 5.131 -5.452 1.00 0.00 O ATOM 431 CB LEU A 52 -13.249 4.100 -6.872 1.00 0.00 C ATOM 432 CG LEU A 52 -14.174 4.112 -8.091 1.00 0.00 C ATOM 433 CD1 LEU A 52 -14.283 5.515 -8.671 1.00 0.00 C ATOM 434 CD2 LEU A 52 -13.677 3.134 -9.144 1.00 0.00 C ATOM 0 H LEU A 52 -12.010 4.183 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.798 5.973 -5.977 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -12.269 4.467 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -13.116 3.068 -6.548 1.00 0.00 H new ATOM 0 HG LEU A 52 -15.168 3.799 -7.771 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.945 5.500 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.687 6.190 -7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -13.295 5.860 -8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -14.346 3.155 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.673 3.417 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.656 2.128 -8.725 1.00 0.00 H new ATOM 446 N ASP A 53 -15.151 3.294 -4.591 1.00 0.00 N ATOM 447 CA ASP A 53 -16.414 2.706 -4.153 1.00 0.00 C ATOM 448 C ASP A 53 -16.966 3.381 -2.894 1.00 0.00 C ATOM 449 O ASP A 53 -18.146 3.720 -2.832 1.00 0.00 O ATOM 450 CB ASP A 53 -16.244 1.206 -3.907 1.00 0.00 C ATOM 451 CG ASP A 53 -17.537 0.545 -3.472 1.00 0.00 C ATOM 452 OD1 ASP A 53 -18.445 0.386 -4.321 1.00 0.00 O ATOM 453 OD2 ASP A 53 -17.656 0.184 -2.283 1.00 0.00 O ATOM 0 H ASP A 53 -14.326 2.740 -4.363 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.136 2.867 -4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.883 0.729 -4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -15.483 1.049 -3.142 1.00 0.00 H new ATOM 458 N ASN A 54 -16.109 3.587 -1.899 1.00 0.00 N ATOM 459 CA ASN A 54 -16.558 4.046 -0.581 1.00 0.00 C ATOM 460 C ASN A 54 -16.321 5.537 -0.378 1.00 0.00 C ATOM 461 O ASN A 54 -16.640 6.084 0.678 1.00 0.00 O ATOM 462 CB ASN A 54 -15.852 3.259 0.526 1.00 0.00 C ATOM 463 CG ASN A 54 -16.158 1.778 0.458 1.00 0.00 C ATOM 464 OD1 ASN A 54 -17.123 1.303 1.053 1.00 0.00 O ATOM 465 ND2 ASN A 54 -15.344 1.038 -0.277 1.00 0.00 N ATOM 0 H ASN A 54 -15.102 3.445 -1.976 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.632 3.870 -0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.775 3.410 0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -16.158 3.647 1.497 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.507 0.035 -0.365 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.554 1.471 -0.755 1.00 0.00 H new ATOM 472 N SER A 55 -15.747 6.178 -1.389 1.00 0.00 N ATOM 473 CA SER A 55 -15.533 7.627 -1.389 1.00 0.00 C ATOM 474 C SER A 55 -14.602 8.082 -0.262 1.00 0.00 C ATOM 475 O SER A 55 -14.707 9.208 0.222 1.00 0.00 O ATOM 476 CB SER A 55 -16.876 8.350 -1.294 1.00 0.00 C ATOM 477 OG SER A 55 -17.755 7.921 -2.323 1.00 0.00 O ATOM 0 H SER A 55 -15.416 5.712 -2.233 1.00 0.00 H new ATOM 0 HA SER A 55 -15.043 7.885 -2.328 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.328 8.160 -0.321 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.720 9.426 -1.368 1.00 0.00 H new ATOM 0 HG SER A 55 -18.609 8.395 -2.242 1.00 0.00 H new ATOM 483 N ARG A 56 -13.687 7.209 0.146 1.00 0.00 N ATOM 484 CA ARG A 56 -12.722 7.546 1.189 1.00 0.00 C ATOM 485 C ARG A 56 -11.576 6.544 1.183 1.00 0.00 C ATOM 486 O ARG A 56 -11.723 5.436 0.671 1.00 0.00 O ATOM 487 CB ARG A 56 -13.404 7.572 2.564 1.00 0.00 C ATOM 488 CG ARG A 56 -13.861 6.208 3.065 1.00 0.00 C ATOM 489 CD ARG A 56 -13.048 5.765 4.273 1.00 0.00 C ATOM 490 NE ARG A 56 -13.439 4.440 4.756 1.00 0.00 N ATOM 491 CZ ARG A 56 -13.449 4.086 6.040 1.00 0.00 C ATOM 492 NH1 ARG A 56 -13.141 4.972 6.981 1.00 0.00 N ATOM 493 NH2 ARG A 56 -13.777 2.847 6.379 1.00 0.00 N ATOM 0 H ARG A 56 -13.592 6.265 -0.228 1.00 0.00 H new ATOM 0 HA ARG A 56 -12.321 8.539 0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.713 8.000 3.291 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -14.267 8.236 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -14.917 6.250 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -13.762 5.472 2.267 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.990 5.755 4.011 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.171 6.492 5.076 1.00 0.00 H new ATOM 0 HE ARG A 56 -13.722 3.744 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.896 5.927 6.721 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -13.150 4.697 7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.021 2.168 5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.786 2.572 7.361 1.00 0.00 H new ATOM 507 N TYR A 57 -10.441 6.939 1.741 1.00 0.00 N ATOM 508 CA TYR A 57 -9.273 6.070 1.795 1.00 0.00 C ATOM 509 C TYR A 57 -9.361 5.110 2.979 1.00 0.00 C ATOM 510 O TYR A 57 -9.811 5.482 4.064 1.00 0.00 O ATOM 511 CB TYR A 57 -7.986 6.893 1.870 1.00 0.00 C ATOM 512 CG TYR A 57 -7.450 7.306 0.517 1.00 0.00 C ATOM 513 CD1 TYR A 57 -6.998 6.351 -0.385 1.00 0.00 C ATOM 514 CD2 TYR A 57 -7.380 8.642 0.145 1.00 0.00 C ATOM 515 CE1 TYR A 57 -6.489 6.715 -1.617 1.00 0.00 C ATOM 516 CE2 TYR A 57 -6.874 9.013 -1.087 1.00 0.00 C ATOM 517 CZ TYR A 57 -6.431 8.046 -1.964 1.00 0.00 C ATOM 518 OH TYR A 57 -5.919 8.413 -3.189 1.00 0.00 O ATOM 0 H TYR A 57 -10.303 7.857 2.164 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.252 5.481 0.878 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.171 7.787 2.466 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -7.224 6.314 2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.045 5.305 -0.119 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -7.726 9.403 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.138 5.959 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.826 10.056 -1.361 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.963 7.651 -3.804 1.00 0.00 H new ATOM 528 N PRO A 58 -8.932 3.856 2.773 1.00 0.00 N ATOM 529 CA PRO A 58 -9.043 2.798 3.778 1.00 0.00 C ATOM 530 C PRO A 58 -8.042 2.929 4.922 1.00 0.00 C ATOM 531 O PRO A 58 -6.995 3.565 4.792 1.00 0.00 O ATOM 532 CB PRO A 58 -8.761 1.522 2.989 1.00 0.00 C ATOM 533 CG PRO A 58 -7.972 1.939 1.802 1.00 0.00 C ATOM 534 CD PRO A 58 -8.301 3.381 1.530 1.00 0.00 C ATOM 0 HA PRO A 58 -10.020 2.827 4.261 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.206 0.804 3.593 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.689 1.036 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.905 1.817 1.988 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.219 1.319 0.940 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -7.405 3.955 1.295 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.975 3.481 0.679 1.00 0.00 H new ATOM 542 N THR A 59 -8.386 2.305 6.042 1.00 0.00 N ATOM 543 CA THR A 59 -7.534 2.272 7.222 1.00 0.00 C ATOM 544 C THR A 59 -6.516 1.138 7.124 1.00 0.00 C ATOM 545 O THR A 59 -6.522 0.381 6.153 1.00 0.00 O ATOM 546 CB THR A 59 -8.376 2.120 8.501 1.00 0.00 C ATOM 547 OG1 THR A 59 -9.280 1.019 8.357 1.00 0.00 O ATOM 548 CG2 THR A 59 -9.161 3.392 8.784 1.00 0.00 C ATOM 0 H THR A 59 -9.268 1.806 6.157 1.00 0.00 H new ATOM 0 HA THR A 59 -6.996 3.218 7.272 1.00 0.00 H new ATOM 0 HB THR A 59 -7.703 1.934 9.338 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.857 0.964 9.147 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.749 3.262 9.693 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.470 4.225 8.915 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.827 3.602 7.947 1.00 0.00 H new ATOM 556 N THR A 60 -5.665 1.020 8.141 1.00 0.00 N ATOM 557 CA THR A 60 -4.517 0.111 8.124 1.00 0.00 C ATOM 558 C THR A 60 -4.884 -1.316 7.681 1.00 0.00 C ATOM 559 O THR A 60 -4.181 -1.909 6.861 1.00 0.00 O ATOM 560 CB THR A 60 -3.841 0.074 9.521 1.00 0.00 C ATOM 561 OG1 THR A 60 -2.768 -0.875 9.546 1.00 0.00 O ATOM 562 CG2 THR A 60 -4.845 -0.268 10.615 1.00 0.00 C ATOM 0 H THR A 60 -5.751 1.554 9.005 1.00 0.00 H new ATOM 0 HA THR A 60 -3.820 0.504 7.384 1.00 0.00 H new ATOM 0 HB THR A 60 -3.442 1.070 9.711 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.978 -0.487 9.115 1.00 0.00 H new ATOM 0 HG21 THR A 60 -4.339 -0.286 11.580 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.634 0.484 10.633 1.00 0.00 H new ATOM 0 HG23 THR A 60 -5.281 -1.247 10.416 1.00 0.00 H new ATOM 570 N GLU A 61 -5.978 -1.861 8.199 1.00 0.00 N ATOM 571 CA GLU A 61 -6.384 -3.212 7.829 1.00 0.00 C ATOM 572 C GLU A 61 -7.058 -3.218 6.462 1.00 0.00 C ATOM 573 O GLU A 61 -6.750 -4.046 5.603 1.00 0.00 O ATOM 574 CB GLU A 61 -7.321 -3.808 8.882 1.00 0.00 C ATOM 575 CG GLU A 61 -7.735 -5.239 8.584 1.00 0.00 C ATOM 576 CD GLU A 61 -8.555 -5.854 9.697 1.00 0.00 C ATOM 577 OE1 GLU A 61 -7.963 -6.258 10.720 1.00 0.00 O ATOM 578 OE2 GLU A 61 -9.794 -5.948 9.553 1.00 0.00 O ATOM 0 H GLU A 61 -6.593 -1.396 8.867 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.486 -3.828 7.777 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.830 -3.775 9.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.214 -3.187 8.955 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.311 -5.261 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.843 -5.844 8.418 1.00 0.00 H new ATOM 585 N GLN A 62 -7.955 -2.261 6.260 1.00 0.00 N ATOM 586 CA GLN A 62 -8.773 -2.210 5.055 1.00 0.00 C ATOM 587 C GLN A 62 -7.928 -1.991 3.805 1.00 0.00 C ATOM 588 O GLN A 62 -8.246 -2.512 2.743 1.00 0.00 O ATOM 589 CB GLN A 62 -9.819 -1.102 5.168 1.00 0.00 C ATOM 590 CG GLN A 62 -10.811 -1.303 6.299 1.00 0.00 C ATOM 591 CD GLN A 62 -11.872 -0.225 6.331 1.00 0.00 C ATOM 592 OE1 GLN A 62 -12.914 -0.345 5.693 1.00 0.00 O ATOM 593 NE2 GLN A 62 -11.616 0.836 7.074 1.00 0.00 N ATOM 0 H GLN A 62 -8.135 -1.505 6.920 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.272 -3.175 4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -9.310 -0.149 5.310 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.365 -1.035 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.289 -2.277 6.191 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -10.278 -1.313 7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.738 0.898 7.589 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -12.296 1.594 7.133 1.00 0.00 H new ATOM 602 N GLY A 63 -6.858 -1.218 3.940 1.00 0.00 N ATOM 603 CA GLY A 63 -6.016 -0.909 2.799 1.00 0.00 C ATOM 604 C GLY A 63 -5.304 -2.125 2.245 1.00 0.00 C ATOM 605 O GLY A 63 -5.332 -2.374 1.041 1.00 0.00 O ATOM 0 H GLY A 63 -6.557 -0.799 4.820 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.626 -0.463 2.014 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.277 -0.163 3.091 1.00 0.00 H new ATOM 609 N LEU A 64 -4.676 -2.891 3.123 1.00 0.00 N ATOM 610 CA LEU A 64 -3.952 -4.084 2.711 1.00 0.00 C ATOM 611 C LEU A 64 -4.913 -5.173 2.240 1.00 0.00 C ATOM 612 O LEU A 64 -4.641 -5.880 1.268 1.00 0.00 O ATOM 613 CB LEU A 64 -3.081 -4.592 3.850 1.00 0.00 C ATOM 614 CG LEU A 64 -1.579 -4.465 3.605 1.00 0.00 C ATOM 615 CD1 LEU A 64 -1.149 -5.309 2.416 1.00 0.00 C ATOM 616 CD2 LEU A 64 -1.188 -3.009 3.400 1.00 0.00 C ATOM 0 H LEU A 64 -4.653 -2.708 4.126 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.309 -3.820 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.336 -4.044 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.319 -5.640 4.033 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.061 -4.837 4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.075 -5.201 2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.385 -6.356 2.609 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.678 -4.976 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.114 -2.942 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.720 -2.607 2.538 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.449 -2.434 4.288 1.00 0.00 H new ATOM 628 N GLN A 65 -6.046 -5.288 2.922 1.00 0.00 N ATOM 629 CA GLN A 65 -7.047 -6.297 2.588 1.00 0.00 C ATOM 630 C GLN A 65 -7.785 -5.972 1.291 1.00 0.00 C ATOM 631 O GLN A 65 -8.313 -6.869 0.642 1.00 0.00 O ATOM 632 CB GLN A 65 -8.051 -6.462 3.727 1.00 0.00 C ATOM 633 CG GLN A 65 -7.514 -7.271 4.896 1.00 0.00 C ATOM 634 CD GLN A 65 -7.156 -8.693 4.503 1.00 0.00 C ATOM 635 OE1 GLN A 65 -7.749 -9.273 3.591 1.00 0.00 O ATOM 636 NE2 GLN A 65 -6.183 -9.270 5.189 1.00 0.00 N ATOM 0 H GLN A 65 -6.296 -4.694 3.712 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.511 -7.235 2.440 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.349 -5.476 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.949 -6.946 3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.631 -6.776 5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.260 -7.294 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -5.714 -8.759 5.937 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.901 -10.225 4.969 1.00 0.00 H new ATOM 645 N ALA A 66 -7.811 -4.697 0.914 1.00 0.00 N ATOM 646 CA ALA A 66 -8.550 -4.254 -0.270 1.00 0.00 C ATOM 647 C ALA A 66 -8.042 -4.929 -1.545 1.00 0.00 C ATOM 648 O ALA A 66 -8.774 -5.047 -2.530 1.00 0.00 O ATOM 649 CB ALA A 66 -8.472 -2.740 -0.406 1.00 0.00 C ATOM 0 H ALA A 66 -7.328 -3.949 1.411 1.00 0.00 H new ATOM 0 HA ALA A 66 -9.591 -4.548 -0.136 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -9.026 -2.425 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.905 -2.272 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -7.430 -2.437 -0.504 1.00 0.00 H new ATOM 655 N LEU A 67 -6.791 -5.369 -1.525 1.00 0.00 N ATOM 656 CA LEU A 67 -6.216 -6.089 -2.655 1.00 0.00 C ATOM 657 C LEU A 67 -6.659 -7.551 -2.663 1.00 0.00 C ATOM 658 O LEU A 67 -6.569 -8.226 -3.689 1.00 0.00 O ATOM 659 CB LEU A 67 -4.686 -6.039 -2.609 1.00 0.00 C ATOM 660 CG LEU A 67 -4.011 -4.866 -3.318 1.00 0.00 C ATOM 661 CD1 LEU A 67 -2.504 -5.041 -3.281 1.00 0.00 C ATOM 662 CD2 LEU A 67 -4.484 -4.741 -4.757 1.00 0.00 C ATOM 0 H LEU A 67 -6.154 -5.240 -0.739 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.573 -5.601 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.378 -6.026 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.303 -6.963 -3.042 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.285 -3.950 -2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.028 -4.202 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.167 -5.078 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.233 -5.970 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.984 -3.897 -5.232 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.245 -5.656 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.562 -4.580 -4.773 1.00 0.00 H new ATOM 674 N VAL A 68 -7.138 -8.030 -1.524 1.00 0.00 N ATOM 675 CA VAL A 68 -7.427 -9.449 -1.347 1.00 0.00 C ATOM 676 C VAL A 68 -8.930 -9.722 -1.289 1.00 0.00 C ATOM 677 O VAL A 68 -9.472 -10.475 -2.099 1.00 0.00 O ATOM 678 CB VAL A 68 -6.780 -9.984 -0.050 1.00 0.00 C ATOM 679 CG1 VAL A 68 -6.997 -11.480 0.088 1.00 0.00 C ATOM 680 CG2 VAL A 68 -5.297 -9.653 -0.004 1.00 0.00 C ATOM 0 H VAL A 68 -7.336 -7.456 -0.705 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.008 -9.962 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.265 -9.490 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.532 -11.832 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.066 -11.691 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.549 -11.993 -0.763 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.866 -10.041 0.919 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.796 -10.109 -0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.164 -8.572 -0.040 1.00 0.00 H new ATOM 690 N SER A 69 -9.597 -9.109 -0.326 1.00 0.00 N ATOM 691 CA SER A 69 -11.002 -9.375 -0.082 1.00 0.00 C ATOM 692 C SER A 69 -11.655 -8.146 0.532 1.00 0.00 C ATOM 693 O SER A 69 -11.005 -7.394 1.259 1.00 0.00 O ATOM 694 CB SER A 69 -11.146 -10.584 0.851 1.00 0.00 C ATOM 695 OG SER A 69 -12.502 -10.969 0.999 1.00 0.00 O ATOM 0 H SER A 69 -9.184 -8.420 0.302 1.00 0.00 H new ATOM 0 HA SER A 69 -11.500 -9.602 -1.025 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.571 -11.421 0.455 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.727 -10.343 1.828 1.00 0.00 H new ATOM 0 HG SER A 69 -12.559 -11.743 1.598 1.00 0.00 H new ATOM 701 N ALA A 70 -12.935 -7.947 0.235 1.00 0.00 N ATOM 702 CA ALA A 70 -13.666 -6.793 0.738 1.00 0.00 C ATOM 703 C ALA A 70 -13.621 -6.744 2.258 1.00 0.00 C ATOM 704 O ALA A 70 -14.018 -7.699 2.930 1.00 0.00 O ATOM 705 CB ALA A 70 -15.106 -6.832 0.257 1.00 0.00 C ATOM 0 H ALA A 70 -13.487 -8.572 -0.353 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.189 -5.892 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -15.641 -5.963 0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -15.126 -6.819 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -15.586 -7.742 0.618 1.00 0.00 H new ATOM 711 N PRO A 71 -13.104 -5.637 2.809 1.00 0.00 N ATOM 712 CA PRO A 71 -13.036 -5.419 4.257 1.00 0.00 C ATOM 713 C PRO A 71 -14.389 -5.588 4.937 1.00 0.00 C ATOM 714 O PRO A 71 -15.423 -5.172 4.406 1.00 0.00 O ATOM 715 CB PRO A 71 -12.567 -3.969 4.373 1.00 0.00 C ATOM 716 CG PRO A 71 -11.809 -3.719 3.121 1.00 0.00 C ATOM 717 CD PRO A 71 -12.512 -4.512 2.059 1.00 0.00 C ATOM 0 HA PRO A 71 -12.379 -6.140 4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.411 -3.286 4.468 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.939 -3.825 5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.798 -2.657 2.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -10.770 -4.034 3.222 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -13.275 -3.920 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -11.820 -4.860 1.293 1.00 0.00 H new ATOM 725 N SER A 72 -14.371 -6.211 6.105 1.00 0.00 N ATOM 726 CA SER A 72 -15.575 -6.392 6.894 1.00 0.00 C ATOM 727 C SER A 72 -15.879 -5.121 7.675 1.00 0.00 C ATOM 728 O SER A 72 -16.999 -4.914 8.140 1.00 0.00 O ATOM 729 CB SER A 72 -15.403 -7.582 7.840 1.00 0.00 C ATOM 730 OG SER A 72 -14.188 -7.482 8.570 1.00 0.00 O ATOM 0 H SER A 72 -13.529 -6.601 6.528 1.00 0.00 H new ATOM 0 HA SER A 72 -16.415 -6.597 6.230 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.244 -7.626 8.532 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.412 -8.510 7.268 1.00 0.00 H new ATOM 0 HG SER A 72 -14.102 -8.253 9.169 1.00 0.00 H new ATOM 736 N ALA A 73 -14.865 -4.275 7.809 1.00 0.00 N ATOM 737 CA ALA A 73 -15.014 -2.989 8.467 1.00 0.00 C ATOM 738 C ALA A 73 -15.871 -2.056 7.623 1.00 0.00 C ATOM 739 O ALA A 73 -15.798 -2.072 6.394 1.00 0.00 O ATOM 740 CB ALA A 73 -13.650 -2.373 8.724 1.00 0.00 C ATOM 0 H ALA A 73 -13.923 -4.462 7.466 1.00 0.00 H new ATOM 0 HA ALA A 73 -15.514 -3.141 9.424 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.773 -1.409 9.218 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.066 -3.036 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.130 -2.231 7.776 1.00 0.00 H new ATOM 746 N GLU A 74 -16.695 -1.264 8.290 1.00 0.00 N ATOM 747 CA GLU A 74 -17.607 -0.353 7.614 1.00 0.00 C ATOM 748 C GLU A 74 -16.876 0.898 7.119 1.00 0.00 C ATOM 749 O GLU A 74 -15.987 1.421 7.801 1.00 0.00 O ATOM 750 CB GLU A 74 -18.739 0.045 8.563 1.00 0.00 C ATOM 751 CG GLU A 74 -18.250 0.755 9.815 1.00 0.00 C ATOM 752 CD GLU A 74 -19.369 1.125 10.758 1.00 0.00 C ATOM 753 OE1 GLU A 74 -19.563 0.408 11.758 1.00 0.00 O ATOM 754 OE2 GLU A 74 -20.050 2.142 10.506 1.00 0.00 O ATOM 0 H GLU A 74 -16.751 -1.233 9.308 1.00 0.00 H new ATOM 0 HA GLU A 74 -18.022 -0.867 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -19.436 0.695 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -19.292 -0.848 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -17.540 0.113 10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.711 1.658 9.527 1.00 0.00 H new ATOM 761 N PRO A 75 -17.237 1.402 5.927 1.00 0.00 N ATOM 762 CA PRO A 75 -18.226 0.766 5.052 1.00 0.00 C ATOM 763 C PRO A 75 -17.660 -0.441 4.307 1.00 0.00 C ATOM 764 O PRO A 75 -16.493 -0.452 3.907 1.00 0.00 O ATOM 765 CB PRO A 75 -18.588 1.880 4.071 1.00 0.00 C ATOM 766 CG PRO A 75 -17.361 2.720 3.992 1.00 0.00 C ATOM 767 CD PRO A 75 -16.729 2.662 5.355 1.00 0.00 C ATOM 0 HA PRO A 75 -19.075 0.374 5.612 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -18.857 1.477 3.095 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -19.442 2.458 4.424 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -16.679 2.343 3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -17.608 3.746 3.720 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -15.641 2.662 5.291 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -17.013 3.520 5.964 1.00 0.00 H new ATOM 775 N HIS A 76 -18.496 -1.455 4.129 1.00 0.00 N ATOM 776 CA HIS A 76 -18.091 -2.678 3.448 1.00 0.00 C ATOM 777 C HIS A 76 -17.882 -2.404 1.962 1.00 0.00 C ATOM 778 O HIS A 76 -18.803 -1.962 1.272 1.00 0.00 O ATOM 779 CB HIS A 76 -19.154 -3.765 3.642 1.00 0.00 C ATOM 780 CG HIS A 76 -18.718 -5.135 3.216 1.00 0.00 C ATOM 781 ND1 HIS A 76 -18.373 -6.119 4.111 1.00 0.00 N ATOM 782 CD2 HIS A 76 -18.592 -5.690 1.987 1.00 0.00 C ATOM 783 CE1 HIS A 76 -18.049 -7.218 3.457 1.00 0.00 C ATOM 784 NE2 HIS A 76 -18.175 -6.987 2.164 1.00 0.00 N ATOM 0 H HIS A 76 -19.465 -1.454 4.449 1.00 0.00 H new ATOM 0 HA HIS A 76 -17.151 -3.027 3.876 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -19.437 -3.797 4.694 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -20.046 -3.489 3.080 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -18.784 -5.203 1.042 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.734 -8.149 3.904 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -17.993 -7.660 1.419 1.00 0.00 H new ATOM 793 N ALA A 77 -16.672 -2.669 1.486 1.00 0.00 N ATOM 794 CA ALA A 77 -16.318 -2.431 0.089 1.00 0.00 C ATOM 795 C ALA A 77 -17.221 -3.206 -0.864 1.00 0.00 C ATOM 796 O ALA A 77 -17.443 -4.406 -0.692 1.00 0.00 O ATOM 797 CB ALA A 77 -14.861 -2.800 -0.158 1.00 0.00 C ATOM 0 H ALA A 77 -15.913 -3.052 2.050 1.00 0.00 H new ATOM 0 HA ALA A 77 -16.460 -1.368 -0.108 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -14.612 -2.617 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.219 -2.193 0.480 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -14.709 -3.854 0.072 1.00 0.00 H new ATOM 803 N ARG A 78 -17.743 -2.507 -1.857 1.00 0.00 N ATOM 804 CA ARG A 78 -18.585 -3.114 -2.874 1.00 0.00 C ATOM 805 C ARG A 78 -17.872 -3.088 -4.219 1.00 0.00 C ATOM 806 O ARG A 78 -16.875 -2.386 -4.379 1.00 0.00 O ATOM 807 CB ARG A 78 -19.921 -2.373 -2.984 1.00 0.00 C ATOM 808 CG ARG A 78 -20.735 -2.371 -1.698 1.00 0.00 C ATOM 809 CD ARG A 78 -21.103 -3.781 -1.267 1.00 0.00 C ATOM 810 NE ARG A 78 -21.862 -4.491 -2.297 1.00 0.00 N ATOM 811 CZ ARG A 78 -22.730 -5.468 -2.041 1.00 0.00 C ATOM 812 NH1 ARG A 78 -22.976 -5.834 -0.792 1.00 0.00 N ATOM 813 NH2 ARG A 78 -23.356 -6.073 -3.042 1.00 0.00 N ATOM 0 H ARG A 78 -17.596 -1.505 -1.981 1.00 0.00 H new ATOM 0 HA ARG A 78 -18.782 -4.147 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.730 -1.342 -3.282 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -20.514 -2.830 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.165 -1.885 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.643 -1.785 -1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -20.195 -4.338 -1.038 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.690 -3.738 -0.350 1.00 0.00 H new ATOM 0 HE ARG A 78 -21.718 -4.221 -3.270 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -22.500 -5.367 -0.020 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -23.642 -6.583 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -23.172 -5.790 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.021 -6.822 -2.849 1.00 0.00 H new ATOM 827 N ASN A 79 -18.374 -3.878 -5.166 1.00 0.00 N ATOM 828 CA ASN A 79 -17.839 -3.905 -6.530 1.00 0.00 C ATOM 829 C ASN A 79 -16.393 -4.387 -6.531 1.00 0.00 C ATOM 830 O ASN A 79 -15.582 -3.981 -7.364 1.00 0.00 O ATOM 831 CB ASN A 79 -17.939 -2.523 -7.192 1.00 0.00 C ATOM 832 CG ASN A 79 -19.368 -2.019 -7.280 1.00 0.00 C ATOM 833 OD1 ASN A 79 -20.088 -2.314 -8.236 1.00 0.00 O ATOM 834 ND2 ASN A 79 -19.784 -1.235 -6.296 1.00 0.00 N ATOM 0 H ASN A 79 -19.157 -4.514 -5.014 1.00 0.00 H new ATOM 0 HA ASN A 79 -18.441 -4.604 -7.110 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -17.340 -1.809 -6.626 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -17.513 -2.573 -8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -20.730 -0.853 -6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -19.159 -1.013 -5.521 1.00 0.00 H new ATOM 841 N TYR A 80 -16.088 -5.269 -5.596 1.00 0.00 N ATOM 842 CA TYR A 80 -14.750 -5.813 -5.461 1.00 0.00 C ATOM 843 C TYR A 80 -14.606 -7.060 -6.330 1.00 0.00 C ATOM 844 O TYR A 80 -15.562 -7.822 -6.496 1.00 0.00 O ATOM 845 CB TYR A 80 -14.461 -6.141 -3.987 1.00 0.00 C ATOM 846 CG TYR A 80 -15.386 -7.179 -3.384 1.00 0.00 C ATOM 847 CD1 TYR A 80 -15.010 -8.515 -3.315 1.00 0.00 C ATOM 848 CD2 TYR A 80 -16.631 -6.822 -2.877 1.00 0.00 C ATOM 849 CE1 TYR A 80 -15.846 -9.465 -2.761 1.00 0.00 C ATOM 850 CE2 TYR A 80 -17.474 -7.767 -2.322 1.00 0.00 C ATOM 851 CZ TYR A 80 -17.076 -9.086 -2.267 1.00 0.00 C ATOM 852 OH TYR A 80 -17.909 -10.029 -1.710 1.00 0.00 O ATOM 0 H TYR A 80 -16.756 -5.626 -4.913 1.00 0.00 H new ATOM 0 HA TYR A 80 -14.025 -5.071 -5.797 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -13.433 -6.494 -3.901 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -14.533 -5.224 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -14.047 -8.816 -3.701 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -16.945 -5.789 -2.918 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -15.538 -10.499 -2.715 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -18.438 -7.474 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 80 -18.736 -9.598 -1.409 1.00 0.00 H new ATOM 862 N PRO A 81 -13.422 -7.268 -6.921 1.00 0.00 N ATOM 863 CA PRO A 81 -13.154 -8.448 -7.746 1.00 0.00 C ATOM 864 C PRO A 81 -13.094 -9.725 -6.914 1.00 0.00 C ATOM 865 O PRO A 81 -12.550 -9.732 -5.805 1.00 0.00 O ATOM 866 CB PRO A 81 -11.788 -8.146 -8.367 1.00 0.00 C ATOM 867 CG PRO A 81 -11.142 -7.187 -7.429 1.00 0.00 C ATOM 868 CD PRO A 81 -12.256 -6.368 -6.839 1.00 0.00 C ATOM 0 HA PRO A 81 -13.938 -8.622 -8.483 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -11.194 -9.054 -8.475 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.894 -7.714 -9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.591 -7.714 -6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.426 -6.553 -7.952 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -12.042 -6.081 -5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.419 -5.448 -7.400 1.00 0.00 H new ATOM 876 N GLU A 82 -13.659 -10.796 -7.455 1.00 0.00 N ATOM 877 CA GLU A 82 -13.674 -12.086 -6.779 1.00 0.00 C ATOM 878 C GLU A 82 -12.258 -12.615 -6.629 1.00 0.00 C ATOM 879 O GLU A 82 -11.525 -12.724 -7.610 1.00 0.00 O ATOM 880 CB GLU A 82 -14.514 -13.087 -7.565 1.00 0.00 C ATOM 881 CG GLU A 82 -15.950 -12.649 -7.779 1.00 0.00 C ATOM 882 CD GLU A 82 -16.707 -13.615 -8.660 1.00 0.00 C ATOM 883 OE1 GLU A 82 -16.714 -13.422 -9.894 1.00 0.00 O ATOM 884 OE2 GLU A 82 -17.279 -14.590 -8.128 1.00 0.00 O ATOM 0 H GLU A 82 -14.116 -10.796 -8.367 1.00 0.00 H new ATOM 0 HA GLU A 82 -14.114 -11.952 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -14.047 -13.255 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.510 -14.042 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -16.452 -12.567 -6.815 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -15.964 -11.657 -8.231 1.00 0.00 H new ATOM 891 N GLY A 83 -11.873 -12.928 -5.403 1.00 0.00 N ATOM 892 CA GLY A 83 -10.523 -13.384 -5.145 1.00 0.00 C ATOM 893 C GLY A 83 -9.557 -12.227 -5.000 1.00 0.00 C ATOM 894 O GLY A 83 -8.404 -12.412 -4.604 1.00 0.00 O ATOM 0 H GLY A 83 -12.472 -12.875 -4.579 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.510 -13.985 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.196 -14.031 -5.959 1.00 0.00 H new ATOM 898 N GLY A 84 -10.037 -11.031 -5.318 1.00 0.00 N ATOM 899 CA GLY A 84 -9.223 -9.842 -5.203 1.00 0.00 C ATOM 900 C GLY A 84 -8.283 -9.674 -6.374 1.00 0.00 C ATOM 901 O GLY A 84 -8.372 -10.400 -7.368 1.00 0.00 O ATOM 0 H GLY A 84 -10.985 -10.866 -5.656 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.870 -8.967 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.645 -9.888 -4.280 1.00 0.00 H new ATOM 905 N TYR A 85 -7.385 -8.712 -6.260 1.00 0.00 N ATOM 906 CA TYR A 85 -6.361 -8.494 -7.268 1.00 0.00 C ATOM 907 C TYR A 85 -5.209 -9.449 -7.004 1.00 0.00 C ATOM 908 O TYR A 85 -4.537 -9.920 -7.923 1.00 0.00 O ATOM 909 CB TYR A 85 -5.873 -7.043 -7.226 1.00 0.00 C ATOM 910 CG TYR A 85 -6.974 -6.025 -7.436 1.00 0.00 C ATOM 911 CD1 TYR A 85 -7.667 -5.490 -6.356 1.00 0.00 C ATOM 912 CD2 TYR A 85 -7.325 -5.604 -8.712 1.00 0.00 C ATOM 913 CE1 TYR A 85 -8.676 -4.568 -6.541 1.00 0.00 C ATOM 914 CE2 TYR A 85 -8.334 -4.678 -8.904 1.00 0.00 C ATOM 915 CZ TYR A 85 -9.006 -4.166 -7.814 1.00 0.00 C ATOM 916 OH TYR A 85 -10.015 -3.248 -8.000 1.00 0.00 O ATOM 0 H TYR A 85 -7.344 -8.064 -5.473 1.00 0.00 H new ATOM 0 HA TYR A 85 -6.773 -8.681 -8.259 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.397 -6.857 -6.263 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -5.110 -6.903 -7.992 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -7.411 -5.802 -5.354 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.802 -6.006 -9.567 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.204 -4.164 -5.690 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -8.594 -4.358 -9.902 1.00 0.00 H new ATOM 0 HH TYR A 85 -10.123 -3.070 -8.958 1.00 0.00 H new ATOM 926 N ILE A 86 -5.004 -9.726 -5.727 1.00 0.00 N ATOM 927 CA ILE A 86 -4.032 -10.707 -5.283 1.00 0.00 C ATOM 928 C ILE A 86 -4.639 -11.512 -4.131 1.00 0.00 C ATOM 929 O ILE A 86 -5.140 -10.947 -3.160 1.00 0.00 O ATOM 930 CB ILE A 86 -2.694 -10.041 -4.865 1.00 0.00 C ATOM 931 CG1 ILE A 86 -1.722 -11.083 -4.299 1.00 0.00 C ATOM 932 CG2 ILE A 86 -2.929 -8.913 -3.867 1.00 0.00 C ATOM 933 CD1 ILE A 86 -0.364 -10.519 -3.936 1.00 0.00 C ATOM 0 H ILE A 86 -5.511 -9.273 -4.966 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.796 -11.377 -6.110 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.242 -9.605 -5.756 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -2.166 -11.536 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.590 -11.879 -5.032 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.974 -8.465 -3.592 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.569 -8.155 -4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.413 -9.311 -2.975 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.268 -11.316 -3.543 1.00 0.00 H new ATOM 0 HD12 ILE A 86 0.102 -10.092 -4.824 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.483 -9.743 -3.179 1.00 0.00 H new ATOM 945 N ARG A 87 -4.618 -12.833 -4.266 1.00 0.00 N ATOM 946 CA ARG A 87 -5.341 -13.723 -3.355 1.00 0.00 C ATOM 947 C ARG A 87 -4.770 -13.719 -1.940 1.00 0.00 C ATOM 948 O ARG A 87 -5.451 -14.101 -0.989 1.00 0.00 O ATOM 949 CB ARG A 87 -5.378 -15.144 -3.911 1.00 0.00 C ATOM 950 CG ARG A 87 -6.299 -15.288 -5.108 1.00 0.00 C ATOM 951 CD ARG A 87 -6.432 -16.737 -5.543 1.00 0.00 C ATOM 952 NE ARG A 87 -7.467 -16.909 -6.563 1.00 0.00 N ATOM 953 CZ ARG A 87 -7.749 -18.070 -7.149 1.00 0.00 C ATOM 954 NH1 ARG A 87 -7.032 -19.154 -6.872 1.00 0.00 N ATOM 955 NH2 ARG A 87 -8.741 -18.144 -8.027 1.00 0.00 N ATOM 0 H ARG A 87 -4.105 -13.318 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.358 -13.337 -3.284 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.370 -15.443 -4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.702 -15.827 -3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.283 -14.891 -4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.915 -14.693 -5.937 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.477 -17.088 -5.933 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.669 -17.355 -4.677 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.005 -16.089 -6.842 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.261 -19.099 -6.207 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.253 -20.041 -7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.286 -17.312 -8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.958 -19.033 -8.477 1.00 0.00 H new ATOM 969 N ARG A 88 -3.528 -13.300 -1.798 1.00 0.00 N ATOM 970 CA ARG A 88 -2.895 -13.245 -0.489 1.00 0.00 C ATOM 971 C ARG A 88 -2.287 -11.876 -0.263 1.00 0.00 C ATOM 972 O ARG A 88 -2.025 -11.145 -1.214 1.00 0.00 O ATOM 973 CB ARG A 88 -1.815 -14.324 -0.366 1.00 0.00 C ATOM 974 CG ARG A 88 -2.369 -15.730 -0.209 1.00 0.00 C ATOM 975 CD ARG A 88 -3.143 -15.881 1.090 1.00 0.00 C ATOM 976 NE ARG A 88 -2.320 -15.562 2.258 1.00 0.00 N ATOM 977 CZ ARG A 88 -2.800 -15.073 3.401 1.00 0.00 C ATOM 978 NH1 ARG A 88 -4.101 -14.835 3.539 1.00 0.00 N ATOM 979 NH2 ARG A 88 -1.975 -14.821 4.409 1.00 0.00 N ATOM 0 H ARG A 88 -2.936 -12.993 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.656 -13.428 0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.179 -14.291 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.182 -14.095 0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.021 -15.962 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.551 -16.450 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.015 -15.227 1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.513 -16.903 1.175 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.315 -15.724 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.739 -15.027 2.767 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.461 -14.461 4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.976 -15.002 4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.340 -14.447 5.285 1.00 0.00 H new ATOM 993 N LEU A 89 -2.090 -11.526 1.001 1.00 0.00 N ATOM 994 CA LEU A 89 -1.508 -10.242 1.355 1.00 0.00 C ATOM 995 C LEU A 89 -0.122 -10.120 0.742 1.00 0.00 C ATOM 996 O LEU A 89 0.731 -10.987 0.953 1.00 0.00 O ATOM 997 CB LEU A 89 -1.415 -10.072 2.880 1.00 0.00 C ATOM 998 CG LEU A 89 -2.740 -9.843 3.626 1.00 0.00 C ATOM 999 CD1 LEU A 89 -3.468 -8.624 3.079 1.00 0.00 C ATOM 1000 CD2 LEU A 89 -3.629 -11.076 3.564 1.00 0.00 C ATOM 0 H LEU A 89 -2.326 -12.116 1.799 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.156 -9.457 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.939 -10.961 3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.755 -9.230 3.090 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.502 -9.656 4.673 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.402 -8.483 3.623 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.841 -7.741 3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.683 -8.773 2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.558 -10.882 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.853 -11.311 2.524 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.114 -11.919 4.024 1.00 0.00 H new ATOM 1012 N PRO A 90 0.107 -9.066 -0.053 1.00 0.00 N ATOM 1013 CA PRO A 90 1.404 -8.824 -0.679 1.00 0.00 C ATOM 1014 C PRO A 90 2.492 -8.625 0.365 1.00 0.00 C ATOM 1015 O PRO A 90 2.258 -8.028 1.419 1.00 0.00 O ATOM 1016 CB PRO A 90 1.186 -7.549 -1.501 1.00 0.00 C ATOM 1017 CG PRO A 90 -0.022 -6.909 -0.911 1.00 0.00 C ATOM 1018 CD PRO A 90 -0.877 -8.030 -0.401 1.00 0.00 C ATOM 0 HA PRO A 90 1.736 -9.664 -1.289 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.051 -6.889 -1.441 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.034 -7.781 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 90 0.252 -6.229 -0.104 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -0.555 -6.320 -1.657 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.466 -7.726 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.579 -8.379 -1.158 1.00 0.00 H new ATOM 1026 N GLN A 91 3.674 -9.132 0.071 1.00 0.00 N ATOM 1027 CA GLN A 91 4.761 -9.135 1.032 1.00 0.00 C ATOM 1028 C GLN A 91 6.074 -8.767 0.363 1.00 0.00 C ATOM 1029 O GLN A 91 6.304 -9.121 -0.796 1.00 0.00 O ATOM 1030 CB GLN A 91 4.885 -10.525 1.666 1.00 0.00 C ATOM 1031 CG GLN A 91 3.686 -10.929 2.509 1.00 0.00 C ATOM 1032 CD GLN A 91 3.759 -12.366 2.983 1.00 0.00 C ATOM 1033 OE1 GLN A 91 4.321 -13.232 2.309 1.00 0.00 O ATOM 1034 NE2 GLN A 91 3.190 -12.634 4.145 1.00 0.00 N ATOM 0 H GLN A 91 3.907 -9.549 -0.830 1.00 0.00 H new ATOM 0 HA GLN A 91 4.542 -8.395 1.802 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.026 -11.262 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 91 5.779 -10.551 2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 91 3.617 -10.269 3.374 1.00 0.00 H new ATOM 0 HG3 GLN A 91 2.775 -10.789 1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 91 2.735 -11.890 4.674 1.00 0.00 H new ATOM 0 HE22 GLN A 91 3.206 -13.585 4.514 1.00 0.00 H new ATOM 1043 N ASP A 92 6.923 -8.051 1.094 1.00 0.00 N ATOM 1044 CA ASP A 92 8.292 -7.802 0.666 1.00 0.00 C ATOM 1045 C ASP A 92 8.942 -9.148 0.381 1.00 0.00 C ATOM 1046 O ASP A 92 8.687 -10.117 1.097 1.00 0.00 O ATOM 1047 CB ASP A 92 9.108 -7.099 1.767 1.00 0.00 C ATOM 1048 CG ASP A 92 8.474 -5.838 2.326 1.00 0.00 C ATOM 1049 OD1 ASP A 92 7.333 -5.909 2.822 1.00 0.00 O ATOM 1050 OD2 ASP A 92 9.148 -4.785 2.328 1.00 0.00 O ATOM 0 H ASP A 92 6.683 -7.631 1.992 1.00 0.00 H new ATOM 0 HA ASP A 92 8.274 -7.160 -0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 92 9.268 -7.801 2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 92 10.090 -6.848 1.367 1.00 0.00 H new ATOM 1055 N PRO A 93 9.785 -9.229 -0.666 1.00 0.00 N ATOM 1056 CA PRO A 93 10.421 -10.485 -1.098 1.00 0.00 C ATOM 1057 C PRO A 93 11.174 -11.204 0.024 1.00 0.00 C ATOM 1058 O PRO A 93 11.471 -12.394 -0.081 1.00 0.00 O ATOM 1059 CB PRO A 93 11.401 -10.046 -2.198 1.00 0.00 C ATOM 1060 CG PRO A 93 11.490 -8.560 -2.089 1.00 0.00 C ATOM 1061 CD PRO A 93 10.177 -8.104 -1.525 1.00 0.00 C ATOM 0 HA PRO A 93 9.672 -11.203 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.378 -10.508 -2.059 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.044 -10.346 -3.183 1.00 0.00 H new ATOM 0 HG2 PRO A 93 12.316 -8.266 -1.441 1.00 0.00 H new ATOM 0 HG3 PRO A 93 11.673 -8.108 -3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 93 10.280 -7.179 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.443 -7.918 -2.309 1.00 0.00 H new ATOM 1069 N TRP A 94 11.493 -10.475 1.085 1.00 0.00 N ATOM 1070 CA TRP A 94 12.186 -11.047 2.232 1.00 0.00 C ATOM 1071 C TRP A 94 11.213 -11.769 3.170 1.00 0.00 C ATOM 1072 O TRP A 94 11.634 -12.533 4.039 1.00 0.00 O ATOM 1073 CB TRP A 94 12.944 -9.953 2.984 1.00 0.00 C ATOM 1074 CG TRP A 94 13.971 -9.269 2.134 1.00 0.00 C ATOM 1075 CD1 TRP A 94 15.258 -9.669 1.925 1.00 0.00 C ATOM 1076 CD2 TRP A 94 13.796 -8.068 1.376 1.00 0.00 C ATOM 1077 NE1 TRP A 94 15.892 -8.787 1.085 1.00 0.00 N ATOM 1078 CE2 TRP A 94 15.016 -7.797 0.731 1.00 0.00 C ATOM 1079 CE3 TRP A 94 12.725 -7.197 1.179 1.00 0.00 C ATOM 1080 CZ2 TRP A 94 15.192 -6.691 -0.096 1.00 0.00 C ATOM 1081 CZ3 TRP A 94 12.899 -6.098 0.360 1.00 0.00 C ATOM 1082 CH2 TRP A 94 14.125 -5.854 -0.271 1.00 0.00 C ATOM 0 H TRP A 94 11.282 -9.481 1.175 1.00 0.00 H new ATOM 0 HA TRP A 94 12.899 -11.785 1.865 1.00 0.00 H new ATOM 0 HB2 TRP A 94 12.234 -9.213 3.353 1.00 0.00 H new ATOM 0 HB3 TRP A 94 13.432 -10.389 3.856 1.00 0.00 H new ATOM 0 HD1 TRP A 94 15.711 -10.549 2.356 1.00 0.00 H new ATOM 0 HE1 TRP A 94 16.861 -8.858 0.775 1.00 0.00 H new ATOM 0 HE3 TRP A 94 11.775 -7.379 1.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 16.138 -6.501 -0.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 12.076 -5.416 0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 94 14.230 -4.988 -0.908 1.00 0.00 H new ATOM 1093 N GLY A 95 9.918 -11.529 2.988 1.00 0.00 N ATOM 1094 CA GLY A 95 8.913 -12.194 3.800 1.00 0.00 C ATOM 1095 C GLY A 95 8.226 -11.264 4.787 1.00 0.00 C ATOM 1096 O GLY A 95 7.726 -11.709 5.824 1.00 0.00 O ATOM 0 H GLY A 95 9.545 -10.884 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.162 -12.637 3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.381 -13.012 4.348 1.00 0.00 H new ATOM 1100 N SER A 96 8.195 -9.978 4.474 1.00 0.00 N ATOM 1101 CA SER A 96 7.573 -8.992 5.351 1.00 0.00 C ATOM 1102 C SER A 96 6.210 -8.574 4.798 1.00 0.00 C ATOM 1103 O SER A 96 6.052 -8.415 3.598 1.00 0.00 O ATOM 1104 CB SER A 96 8.488 -7.774 5.490 1.00 0.00 C ATOM 1105 OG SER A 96 9.813 -8.162 5.836 1.00 0.00 O ATOM 0 H SER A 96 8.593 -9.590 3.619 1.00 0.00 H new ATOM 0 HA SER A 96 7.423 -9.436 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.502 -7.218 4.553 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.092 -7.103 6.253 1.00 0.00 H new ATOM 0 HG SER A 96 10.452 -7.538 5.434 1.00 0.00 H new ATOM 1111 N ASP A 97 5.224 -8.414 5.670 1.00 0.00 N ATOM 1112 CA ASP A 97 3.883 -8.012 5.241 1.00 0.00 C ATOM 1113 C ASP A 97 3.777 -6.498 5.189 1.00 0.00 C ATOM 1114 O ASP A 97 3.940 -5.837 6.214 1.00 0.00 O ATOM 1115 CB ASP A 97 2.820 -8.555 6.200 1.00 0.00 C ATOM 1116 CG ASP A 97 2.760 -10.067 6.230 1.00 0.00 C ATOM 1117 OD1 ASP A 97 3.544 -10.687 6.982 1.00 0.00 O ATOM 1118 OD2 ASP A 97 1.911 -10.645 5.524 1.00 0.00 O ATOM 0 H ASP A 97 5.322 -8.555 6.675 1.00 0.00 H new ATOM 0 HA ASP A 97 3.712 -8.425 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.024 -8.186 7.205 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.845 -8.165 5.909 1.00 0.00 H new ATOM 1123 N TYR A 98 3.495 -5.963 3.998 1.00 0.00 N ATOM 1124 CA TYR A 98 3.401 -4.514 3.788 1.00 0.00 C ATOM 1125 C TYR A 98 2.479 -3.852 4.806 1.00 0.00 C ATOM 1126 O TYR A 98 1.470 -4.431 5.221 1.00 0.00 O ATOM 1127 CB TYR A 98 2.899 -4.199 2.378 1.00 0.00 C ATOM 1128 CG TYR A 98 3.877 -4.545 1.277 1.00 0.00 C ATOM 1129 CD1 TYR A 98 5.132 -3.952 1.215 1.00 0.00 C ATOM 1130 CD2 TYR A 98 3.541 -5.458 0.291 1.00 0.00 C ATOM 1131 CE1 TYR A 98 6.020 -4.264 0.200 1.00 0.00 C ATOM 1132 CE2 TYR A 98 4.422 -5.776 -0.722 1.00 0.00 C ATOM 1133 CZ TYR A 98 5.660 -5.179 -0.763 1.00 0.00 C ATOM 1134 OH TYR A 98 6.534 -5.491 -1.781 1.00 0.00 O ATOM 0 H TYR A 98 3.326 -6.516 3.158 1.00 0.00 H new ATOM 0 HA TYR A 98 4.406 -4.112 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.970 -4.742 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.663 -3.136 2.318 1.00 0.00 H new ATOM 0 HD1 TYR A 98 5.419 -3.236 1.971 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.570 -5.930 0.316 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.991 -3.792 0.164 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.140 -6.492 -1.480 1.00 0.00 H new ATOM 0 HH TYR A 98 6.123 -6.154 -2.373 1.00 0.00 H new ATOM 1144 N GLN A 99 2.819 -2.629 5.192 1.00 0.00 N ATOM 1145 CA GLN A 99 2.077 -1.927 6.226 1.00 0.00 C ATOM 1146 C GLN A 99 1.511 -0.609 5.714 1.00 0.00 C ATOM 1147 O GLN A 99 2.131 0.082 4.900 1.00 0.00 O ATOM 1148 CB GLN A 99 2.977 -1.671 7.435 1.00 0.00 C ATOM 1149 CG GLN A 99 3.515 -2.942 8.066 1.00 0.00 C ATOM 1150 CD GLN A 99 2.424 -3.802 8.664 1.00 0.00 C ATOM 1151 OE1 GLN A 99 1.422 -3.295 9.171 1.00 0.00 O ATOM 1152 NE2 GLN A 99 2.596 -5.110 8.589 1.00 0.00 N ATOM 0 H GLN A 99 3.603 -2.105 4.804 1.00 0.00 H new ATOM 0 HA GLN A 99 1.240 -2.560 6.521 1.00 0.00 H new ATOM 0 HB2 GLN A 99 3.814 -1.044 7.129 1.00 0.00 H new ATOM 0 HB3 GLN A 99 2.416 -1.112 8.184 1.00 0.00 H new ATOM 0 HG2 GLN A 99 4.054 -3.517 7.313 1.00 0.00 H new ATOM 0 HG3 GLN A 99 4.234 -2.681 8.843 1.00 0.00 H new ATOM 0 HE21 GLN A 99 3.441 -5.490 8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 99 1.884 -5.740 8.959 1.00 0.00 H new ATOM 1161 N LEU A 100 0.325 -0.281 6.195 1.00 0.00 N ATOM 1162 CA LEU A 100 -0.323 0.981 5.888 1.00 0.00 C ATOM 1163 C LEU A 100 -0.622 1.730 7.174 1.00 0.00 C ATOM 1164 O LEU A 100 -0.994 1.119 8.179 1.00 0.00 O ATOM 1165 CB LEU A 100 -1.637 0.761 5.144 1.00 0.00 C ATOM 1166 CG LEU A 100 -2.480 2.029 4.986 1.00 0.00 C ATOM 1167 CD1 LEU A 100 -1.968 2.887 3.850 1.00 0.00 C ATOM 1168 CD2 LEU A 100 -3.938 1.691 4.790 1.00 0.00 C ATOM 0 H LEU A 100 -0.218 -0.885 6.812 1.00 0.00 H new ATOM 0 HA LEU A 100 0.354 1.556 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.420 0.355 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.223 0.011 5.675 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.389 2.604 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.586 3.780 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.937 3.178 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.012 2.322 2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.513 2.610 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.053 1.082 3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -4.302 1.136 5.655 1.00 0.00 H new ATOM 1180 N LEU A 101 -0.472 3.042 7.151 1.00 0.00 N ATOM 1181 CA LEU A 101 -0.804 3.835 8.315 1.00 0.00 C ATOM 1182 C LEU A 101 -1.747 4.975 7.936 1.00 0.00 C ATOM 1183 O LEU A 101 -1.382 5.877 7.180 1.00 0.00 O ATOM 1184 CB LEU A 101 0.490 4.370 8.957 1.00 0.00 C ATOM 1185 CG LEU A 101 0.388 4.881 10.406 1.00 0.00 C ATOM 1186 CD1 LEU A 101 -0.316 6.224 10.474 1.00 0.00 C ATOM 1187 CD2 LEU A 101 -0.325 3.865 11.283 1.00 0.00 C ATOM 0 H LEU A 101 -0.128 3.572 6.351 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.322 3.210 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.236 3.576 8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.866 5.183 8.336 1.00 0.00 H new ATOM 0 HG LEU A 101 1.403 5.016 10.780 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.370 6.554 11.511 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.240 6.956 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.324 6.127 10.071 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.387 4.245 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -1.330 3.694 10.898 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.230 2.927 11.278 1.00 0.00 H new ATOM 1199 N SER A 102 -2.976 4.887 8.430 1.00 0.00 N ATOM 1200 CA SER A 102 -3.939 5.971 8.317 1.00 0.00 C ATOM 1201 C SER A 102 -4.125 6.633 9.687 1.00 0.00 C ATOM 1202 O SER A 102 -4.317 5.937 10.687 1.00 0.00 O ATOM 1203 CB SER A 102 -5.277 5.439 7.789 1.00 0.00 C ATOM 1204 OG SER A 102 -6.186 6.495 7.521 1.00 0.00 O ATOM 0 H SER A 102 -3.330 4.065 8.918 1.00 0.00 H new ATOM 0 HA SER A 102 -3.566 6.714 7.612 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.108 4.863 6.879 1.00 0.00 H new ATOM 0 HB3 SER A 102 -5.713 4.758 8.520 1.00 0.00 H new ATOM 0 HG SER A 102 -7.028 6.124 7.184 1.00 0.00 H new ATOM 1210 N PRO A 103 -4.058 7.970 9.773 1.00 0.00 N ATOM 1211 CA PRO A 103 -3.760 8.848 8.645 1.00 0.00 C ATOM 1212 C PRO A 103 -2.261 8.908 8.366 1.00 0.00 C ATOM 1213 O PRO A 103 -1.444 8.890 9.289 1.00 0.00 O ATOM 1214 CB PRO A 103 -4.276 10.222 9.107 1.00 0.00 C ATOM 1215 CG PRO A 103 -4.893 10.003 10.453 1.00 0.00 C ATOM 1216 CD PRO A 103 -4.285 8.744 10.990 1.00 0.00 C ATOM 0 HA PRO A 103 -4.221 8.504 7.719 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -3.462 10.945 9.164 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.007 10.620 8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.693 10.845 11.115 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -5.976 9.910 10.374 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -3.358 8.937 11.529 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.954 8.231 11.681 1.00 0.00 H new ATOM 1224 N GLY A 104 -1.917 8.988 7.090 1.00 0.00 N ATOM 1225 CA GLY A 104 -0.533 8.916 6.669 1.00 0.00 C ATOM 1226 C GLY A 104 0.339 10.024 7.226 1.00 0.00 C ATOM 1227 O GLY A 104 -0.143 11.105 7.576 1.00 0.00 O ATOM 0 H GLY A 104 -2.584 9.103 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -0.120 7.954 6.975 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -0.493 8.949 5.580 1.00 0.00 H new ATOM 1231 N GLN A 105 1.631 9.748 7.292 1.00 0.00 N ATOM 1232 CA GLN A 105 2.607 10.698 7.803 1.00 0.00 C ATOM 1233 C GLN A 105 2.840 11.821 6.796 1.00 0.00 C ATOM 1234 O GLN A 105 3.196 12.941 7.164 1.00 0.00 O ATOM 1235 CB GLN A 105 3.925 9.973 8.099 1.00 0.00 C ATOM 1236 CG GLN A 105 4.974 10.839 8.782 1.00 0.00 C ATOM 1237 CD GLN A 105 4.489 11.418 10.098 1.00 0.00 C ATOM 1238 OE1 GLN A 105 4.632 10.801 11.153 1.00 0.00 O ATOM 1239 NE2 GLN A 105 3.919 12.611 10.047 1.00 0.00 N ATOM 0 H GLN A 105 2.033 8.860 6.993 1.00 0.00 H new ATOM 0 HA GLN A 105 2.223 11.137 8.724 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.717 9.108 8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.336 9.594 7.163 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.870 10.245 8.960 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.258 11.653 8.115 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.819 13.091 9.152 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.580 13.051 10.902 1.00 0.00 H new ATOM 1248 N HIS A 106 2.630 11.518 5.524 1.00 0.00 N ATOM 1249 CA HIS A 106 2.875 12.481 4.464 1.00 0.00 C ATOM 1250 C HIS A 106 1.562 12.935 3.836 1.00 0.00 C ATOM 1251 O HIS A 106 1.465 14.042 3.301 1.00 0.00 O ATOM 1252 CB HIS A 106 3.786 11.879 3.388 1.00 0.00 C ATOM 1253 CG HIS A 106 5.102 11.374 3.905 1.00 0.00 C ATOM 1254 ND1 HIS A 106 6.202 12.183 4.091 1.00 0.00 N ATOM 1255 CD2 HIS A 106 5.492 10.127 4.266 1.00 0.00 C ATOM 1256 CE1 HIS A 106 7.209 11.455 4.539 1.00 0.00 C ATOM 1257 NE2 HIS A 106 6.805 10.205 4.655 1.00 0.00 N ATOM 0 H HIS A 106 2.290 10.612 5.202 1.00 0.00 H new ATOM 0 HA HIS A 106 3.372 13.346 4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 106 3.260 11.057 2.902 1.00 0.00 H new ATOM 0 HB3 HIS A 106 3.974 12.633 2.624 1.00 0.00 H new ATOM 0 HD2 HIS A 106 4.881 9.236 4.250 1.00 0.00 H new ATOM 0 HE1 HIS A 106 8.198 11.822 4.771 1.00 0.00 H new ATOM 0 HE2 HIS A 106 7.375 9.424 4.981 1.00 0.00 H new ATOM 1266 N GLY A 107 0.552 12.077 3.896 1.00 0.00 N ATOM 1267 CA GLY A 107 -0.737 12.413 3.323 1.00 0.00 C ATOM 1268 C GLY A 107 -1.891 11.800 4.083 1.00 0.00 C ATOM 1269 O GLY A 107 -1.839 11.673 5.305 1.00 0.00 O ATOM 0 H GLY A 107 0.602 11.156 4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -0.852 13.497 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -0.769 12.075 2.287 1.00 0.00 H new ATOM 1273 N GLN A 108 -2.935 11.417 3.360 1.00 0.00 N ATOM 1274 CA GLN A 108 -4.111 10.816 3.972 1.00 0.00 C ATOM 1275 C GLN A 108 -3.802 9.389 4.407 1.00 0.00 C ATOM 1276 O GLN A 108 -4.169 8.965 5.503 1.00 0.00 O ATOM 1277 CB GLN A 108 -5.284 10.827 2.988 1.00 0.00 C ATOM 1278 CG GLN A 108 -6.588 10.305 3.573 1.00 0.00 C ATOM 1279 CD GLN A 108 -7.071 11.126 4.751 1.00 0.00 C ATOM 1280 OE1 GLN A 108 -7.800 12.103 4.584 1.00 0.00 O ATOM 1281 NE2 GLN A 108 -6.676 10.729 5.951 1.00 0.00 N ATOM 0 H GLN A 108 -2.991 11.513 2.346 1.00 0.00 H new ATOM 0 HA GLN A 108 -4.387 11.399 4.850 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -5.439 11.846 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 108 -5.021 10.225 2.118 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -7.354 10.304 2.798 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -6.452 9.270 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -6.071 9.913 6.045 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -6.977 11.239 6.782 1.00 0.00 H new ATOM 1290 N VAL A 109 -3.113 8.667 3.539 1.00 0.00 N ATOM 1291 CA VAL A 109 -2.718 7.291 3.798 1.00 0.00 C ATOM 1292 C VAL A 109 -1.310 7.038 3.275 1.00 0.00 C ATOM 1293 O VAL A 109 -1.002 7.341 2.120 1.00 0.00 O ATOM 1294 CB VAL A 109 -3.688 6.278 3.148 1.00 0.00 C ATOM 1295 CG1 VAL A 109 -4.892 6.026 4.040 1.00 0.00 C ATOM 1296 CG2 VAL A 109 -4.134 6.766 1.775 1.00 0.00 C ATOM 0 H VAL A 109 -2.810 9.020 2.631 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.747 7.148 4.878 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.155 5.335 3.024 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -5.558 5.310 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -4.558 5.625 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.425 6.962 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.816 6.039 1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.642 7.725 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.263 6.884 1.130 1.00 0.00 H new ATOM 1306 N ASP A 110 -0.452 6.499 4.125 1.00 0.00 N ATOM 1307 CA ASP A 110 0.920 6.221 3.730 1.00 0.00 C ATOM 1308 C ASP A 110 1.216 4.731 3.780 1.00 0.00 C ATOM 1309 O ASP A 110 0.971 4.066 4.790 1.00 0.00 O ATOM 1310 CB ASP A 110 1.913 6.995 4.602 1.00 0.00 C ATOM 1311 CG ASP A 110 2.202 8.379 4.050 1.00 0.00 C ATOM 1312 OD1 ASP A 110 3.123 8.508 3.219 1.00 0.00 O ATOM 1313 OD2 ASP A 110 1.516 9.346 4.444 1.00 0.00 O ATOM 0 H ASP A 110 -0.678 6.246 5.087 1.00 0.00 H new ATOM 0 HA ASP A 110 1.038 6.556 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 110 1.514 7.085 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.844 6.433 4.676 1.00 0.00 H new ATOM 1318 N ILE A 111 1.728 4.220 2.672 1.00 0.00 N ATOM 1319 CA ILE A 111 2.107 2.819 2.557 1.00 0.00 C ATOM 1320 C ILE A 111 3.620 2.696 2.571 1.00 0.00 C ATOM 1321 O ILE A 111 4.312 3.459 1.898 1.00 0.00 O ATOM 1322 CB ILE A 111 1.562 2.184 1.258 1.00 0.00 C ATOM 1323 CG1 ILE A 111 1.751 3.142 0.076 1.00 0.00 C ATOM 1324 CG2 ILE A 111 0.102 1.797 1.417 1.00 0.00 C ATOM 1325 CD1 ILE A 111 1.239 2.601 -1.241 1.00 0.00 C ATOM 0 H ILE A 111 1.893 4.765 1.826 1.00 0.00 H new ATOM 0 HA ILE A 111 1.674 2.289 3.405 1.00 0.00 H new ATOM 0 HB ILE A 111 2.127 1.274 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 111 1.240 4.079 0.296 1.00 0.00 H new ATOM 0 HG13 ILE A 111 2.811 3.373 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.260 1.352 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.003 1.076 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.487 2.685 1.647 1.00 0.00 H new ATOM 0 HD11 ILE A 111 1.409 3.337 -2.027 1.00 0.00 H new ATOM 0 HD12 ILE A 111 1.767 1.680 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 111 0.171 2.397 -1.160 1.00 0.00 H new ATOM 1337 N PHE A 112 4.131 1.749 3.341 1.00 0.00 N ATOM 1338 CA PHE A 112 5.568 1.570 3.464 1.00 0.00 C ATOM 1339 C PHE A 112 5.939 0.096 3.548 1.00 0.00 C ATOM 1340 O PHE A 112 5.172 -0.728 4.058 1.00 0.00 O ATOM 1341 CB PHE A 112 6.113 2.344 4.674 1.00 0.00 C ATOM 1342 CG PHE A 112 5.265 2.250 5.914 1.00 0.00 C ATOM 1343 CD1 PHE A 112 5.481 1.254 6.852 1.00 0.00 C ATOM 1344 CD2 PHE A 112 4.255 3.172 6.146 1.00 0.00 C ATOM 1345 CE1 PHE A 112 4.707 1.179 7.995 1.00 0.00 C ATOM 1346 CE2 PHE A 112 3.477 3.100 7.284 1.00 0.00 C ATOM 1347 CZ PHE A 112 3.703 2.102 8.211 1.00 0.00 C ATOM 0 H PHE A 112 3.573 1.094 3.889 1.00 0.00 H new ATOM 0 HA PHE A 112 6.031 1.975 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 112 7.112 1.974 4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 112 6.217 3.394 4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 112 6.263 0.528 6.689 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.075 3.957 5.426 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.888 0.398 8.719 1.00 0.00 H new ATOM 0 HE2 PHE A 112 2.692 3.824 7.449 1.00 0.00 H new ATOM 0 HZ PHE A 112 3.096 2.043 9.103 1.00 0.00 H new ATOM 1357 N SER A 113 7.111 -0.221 3.020 1.00 0.00 N ATOM 1358 CA SER A 113 7.602 -1.586 2.972 1.00 0.00 C ATOM 1359 C SER A 113 8.661 -1.798 4.045 1.00 0.00 C ATOM 1360 O SER A 113 9.434 -0.892 4.350 1.00 0.00 O ATOM 1361 CB SER A 113 8.178 -1.856 1.590 1.00 0.00 C ATOM 1362 OG SER A 113 7.309 -1.356 0.585 1.00 0.00 O ATOM 0 H SER A 113 7.748 0.463 2.613 1.00 0.00 H new ATOM 0 HA SER A 113 6.783 -2.280 3.162 1.00 0.00 H new ATOM 0 HB2 SER A 113 9.157 -1.386 1.499 1.00 0.00 H new ATOM 0 HB3 SER A 113 8.324 -2.927 1.453 1.00 0.00 H new ATOM 0 HG SER A 113 7.396 -0.381 0.532 1.00 0.00 H new ATOM 1368 N LEU A 114 8.716 -2.998 4.592 1.00 0.00 N ATOM 1369 CA LEU A 114 9.512 -3.253 5.784 1.00 0.00 C ATOM 1370 C LEU A 114 10.934 -3.627 5.423 1.00 0.00 C ATOM 1371 O LEU A 114 11.837 -3.562 6.265 1.00 0.00 O ATOM 1372 CB LEU A 114 8.901 -4.376 6.626 1.00 0.00 C ATOM 1373 CG LEU A 114 7.449 -4.182 7.078 1.00 0.00 C ATOM 1374 CD1 LEU A 114 7.247 -2.800 7.666 1.00 0.00 C ATOM 1375 CD2 LEU A 114 6.484 -4.422 5.930 1.00 0.00 C ATOM 0 H LEU A 114 8.220 -3.813 4.232 1.00 0.00 H new ATOM 0 HA LEU A 114 9.520 -2.331 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 114 8.959 -5.302 6.053 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.519 -4.511 7.514 1.00 0.00 H new ATOM 0 HG LEU A 114 7.240 -4.917 7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 114 6.209 -2.686 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 114 7.902 -2.672 8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 114 7.484 -2.047 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 114 5.461 -4.278 6.278 1.00 0.00 H new ATOM 0 HD22 LEU A 114 6.695 -3.719 5.124 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.602 -5.441 5.563 1.00 0.00 H new ATOM 1387 N GLY A 115 11.110 -4.070 4.182 1.00 0.00 N ATOM 1388 CA GLY A 115 12.425 -4.419 3.702 1.00 0.00 C ATOM 1389 C GLY A 115 12.941 -5.708 4.310 1.00 0.00 C ATOM 1390 O GLY A 115 12.161 -6.518 4.820 1.00 0.00 O ATOM 0 H GLY A 115 10.360 -4.192 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 115 12.398 -4.518 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 115 13.119 -3.610 3.931 1.00 0.00 H new ATOM 1394 N PRO A 116 14.262 -5.919 4.266 1.00 0.00 N ATOM 1395 CA PRO A 116 14.905 -7.132 4.781 1.00 0.00 C ATOM 1396 C PRO A 116 14.859 -7.212 6.303 1.00 0.00 C ATOM 1397 O PRO A 116 14.934 -8.294 6.888 1.00 0.00 O ATOM 1398 CB PRO A 116 16.362 -7.007 4.304 1.00 0.00 C ATOM 1399 CG PRO A 116 16.368 -5.886 3.317 1.00 0.00 C ATOM 1400 CD PRO A 116 15.242 -4.981 3.710 1.00 0.00 C ATOM 0 HA PRO A 116 14.402 -8.032 4.427 1.00 0.00 H new ATOM 0 HB2 PRO A 116 17.031 -6.798 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 116 16.705 -7.934 3.846 1.00 0.00 H new ATOM 0 HG2 PRO A 116 17.320 -5.355 3.336 1.00 0.00 H new ATOM 0 HG3 PRO A 116 16.232 -6.260 2.302 1.00 0.00 H new ATOM 0 HD2 PRO A 116 15.555 -4.238 4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 116 14.842 -4.435 2.855 1.00 0.00 H new ATOM 1408 N ASP A 117 14.731 -6.055 6.931 1.00 0.00 N ATOM 1409 CA ASP A 117 14.802 -5.955 8.383 1.00 0.00 C ATOM 1410 C ASP A 117 13.432 -6.068 9.031 1.00 0.00 C ATOM 1411 O ASP A 117 13.327 -6.265 10.240 1.00 0.00 O ATOM 1412 CB ASP A 117 15.429 -4.617 8.764 1.00 0.00 C ATOM 1413 CG ASP A 117 14.943 -3.490 7.872 1.00 0.00 C ATOM 1414 OD1 ASP A 117 15.800 -2.878 7.192 1.00 0.00 O ATOM 1415 OD2 ASP A 117 13.713 -3.241 7.823 1.00 0.00 O ATOM 0 H ASP A 117 14.576 -5.166 6.456 1.00 0.00 H new ATOM 0 HA ASP A 117 15.411 -6.784 8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.190 -4.387 9.802 1.00 0.00 H new ATOM 0 HB3 ASP A 117 16.514 -4.692 8.695 1.00 0.00 H new ATOM 1420 N GLY A 118 12.386 -5.943 8.231 1.00 0.00 N ATOM 1421 CA GLY A 118 11.045 -6.133 8.742 1.00 0.00 C ATOM 1422 C GLY A 118 10.576 -4.999 9.642 1.00 0.00 C ATOM 1423 O GLY A 118 9.500 -5.084 10.233 1.00 0.00 O ATOM 0 H GLY A 118 12.440 -5.714 7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 118 10.355 -6.231 7.904 1.00 0.00 H new ATOM 0 HA3 GLY A 118 11.005 -7.069 9.299 1.00 0.00 H new ATOM 1427 N VAL A 119 11.371 -3.936 9.759 1.00 0.00 N ATOM 1428 CA VAL A 119 11.041 -2.857 10.684 1.00 0.00 C ATOM 1429 C VAL A 119 10.259 -1.735 9.999 1.00 0.00 C ATOM 1430 O VAL A 119 10.741 -1.109 9.044 1.00 0.00 O ATOM 1431 CB VAL A 119 12.289 -2.288 11.407 1.00 0.00 C ATOM 1432 CG1 VAL A 119 12.877 -3.332 12.339 1.00 0.00 C ATOM 1433 CG2 VAL A 119 13.345 -1.809 10.427 1.00 0.00 C ATOM 0 H VAL A 119 12.235 -3.801 9.233 1.00 0.00 H new ATOM 0 HA VAL A 119 10.399 -3.303 11.444 1.00 0.00 H new ATOM 0 HB VAL A 119 11.964 -1.425 11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 119 13.753 -2.920 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 119 12.133 -3.616 13.083 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.168 -4.211 11.764 1.00 0.00 H new ATOM 0 HG21 VAL A 119 14.201 -1.418 10.977 1.00 0.00 H new ATOM 0 HG22 VAL A 119 13.665 -2.642 9.801 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.928 -1.022 9.799 1.00 0.00 H new ATOM 1443 N PRO A 120 9.019 -1.496 10.484 1.00 0.00 N ATOM 1444 CA PRO A 120 8.119 -0.478 9.932 1.00 0.00 C ATOM 1445 C PRO A 120 8.487 0.944 10.342 1.00 0.00 C ATOM 1446 O PRO A 120 9.013 1.176 11.439 1.00 0.00 O ATOM 1447 CB PRO A 120 6.760 -0.860 10.520 1.00 0.00 C ATOM 1448 CG PRO A 120 7.082 -1.517 11.815 1.00 0.00 C ATOM 1449 CD PRO A 120 8.398 -2.220 11.613 1.00 0.00 C ATOM 0 HA PRO A 120 8.155 -0.466 8.843 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.131 0.018 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.217 -1.534 9.858 1.00 0.00 H new ATOM 0 HG2 PRO A 120 7.152 -0.783 12.617 1.00 0.00 H new ATOM 0 HG3 PRO A 120 6.302 -2.224 12.097 1.00 0.00 H new ATOM 0 HD2 PRO A 120 9.018 -2.172 12.508 1.00 0.00 H new ATOM 0 HD3 PRO A 120 8.256 -3.275 11.381 1.00 0.00 H new ATOM 1457 N GLU A 121 8.206 1.884 9.441 1.00 0.00 N ATOM 1458 CA GLU A 121 8.409 3.311 9.685 1.00 0.00 C ATOM 1459 C GLU A 121 9.887 3.615 9.883 1.00 0.00 C ATOM 1460 O GLU A 121 10.259 4.600 10.524 1.00 0.00 O ATOM 1461 CB GLU A 121 7.595 3.771 10.894 1.00 0.00 C ATOM 1462 CG GLU A 121 6.102 3.534 10.743 1.00 0.00 C ATOM 1463 CD GLU A 121 5.331 3.887 11.993 1.00 0.00 C ATOM 1464 OE1 GLU A 121 5.105 5.092 12.236 1.00 0.00 O ATOM 1465 OE2 GLU A 121 4.943 2.964 12.739 1.00 0.00 O ATOM 0 H GLU A 121 7.829 1.676 8.516 1.00 0.00 H new ATOM 0 HA GLU A 121 8.062 3.862 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 121 7.950 3.248 11.782 1.00 0.00 H new ATOM 0 HB3 GLU A 121 7.772 4.834 11.058 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.726 4.126 9.909 1.00 0.00 H new ATOM 0 HG3 GLU A 121 5.927 2.487 10.495 1.00 0.00 H new ATOM 1472 N SER A 122 10.717 2.757 9.325 1.00 0.00 N ATOM 1473 CA SER A 122 12.153 2.894 9.408 1.00 0.00 C ATOM 1474 C SER A 122 12.702 3.646 8.195 1.00 0.00 C ATOM 1475 O SER A 122 11.947 3.998 7.289 1.00 0.00 O ATOM 1476 CB SER A 122 12.761 1.500 9.506 1.00 0.00 C ATOM 1477 OG SER A 122 11.965 0.567 8.788 1.00 0.00 O ATOM 0 H SER A 122 10.409 1.940 8.798 1.00 0.00 H new ATOM 0 HA SER A 122 12.418 3.475 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 122 13.775 1.508 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.833 1.199 10.551 1.00 0.00 H new ATOM 0 HG SER A 122 11.727 0.944 7.915 1.00 0.00 H new ATOM 1483 N ASN A 123 14.004 3.894 8.178 1.00 0.00 N ATOM 1484 CA ASN A 123 14.638 4.592 7.060 1.00 0.00 C ATOM 1485 C ASN A 123 14.512 3.771 5.780 1.00 0.00 C ATOM 1486 O ASN A 123 14.208 4.302 4.708 1.00 0.00 O ATOM 1487 CB ASN A 123 16.117 4.846 7.370 1.00 0.00 C ATOM 1488 CG ASN A 123 16.858 5.507 6.221 1.00 0.00 C ATOM 1489 OD1 ASN A 123 16.302 6.325 5.488 1.00 0.00 O ATOM 1490 ND2 ASN A 123 18.119 5.143 6.047 1.00 0.00 N ATOM 0 H ASN A 123 14.645 3.624 8.924 1.00 0.00 H new ATOM 0 HA ASN A 123 14.133 5.547 6.916 1.00 0.00 H new ATOM 0 HB2 ASN A 123 16.194 5.477 8.256 1.00 0.00 H new ATOM 0 HB3 ASN A 123 16.600 3.899 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 123 18.665 5.544 5.284 1.00 0.00 H new ATOM 0 HD22 ASN A 123 18.545 4.462 6.676 1.00 0.00 H new ATOM 1497 N ASP A 124 14.718 2.467 5.918 1.00 0.00 N ATOM 1498 CA ASP A 124 14.670 1.540 4.791 1.00 0.00 C ATOM 1499 C ASP A 124 13.269 1.455 4.199 1.00 0.00 C ATOM 1500 O ASP A 124 13.105 1.061 3.045 1.00 0.00 O ATOM 1501 CB ASP A 124 15.075 0.138 5.246 1.00 0.00 C ATOM 1502 CG ASP A 124 13.972 -0.523 6.050 1.00 0.00 C ATOM 1503 OD1 ASP A 124 13.861 -0.301 7.264 1.00 0.00 O ATOM 1504 OD2 ASP A 124 13.137 -1.246 5.492 1.00 0.00 O ATOM 0 H ASP A 124 14.923 2.022 6.812 1.00 0.00 H new ATOM 0 HA ASP A 124 15.360 1.915 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.310 -0.475 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.981 0.197 5.849 1.00 0.00 H new ATOM 1509 N ASP A 125 12.273 1.817 5.004 1.00 0.00 N ATOM 1510 CA ASP A 125 10.872 1.611 4.652 1.00 0.00 C ATOM 1511 C ASP A 125 10.511 2.278 3.335 1.00 0.00 C ATOM 1512 O ASP A 125 10.364 3.499 3.253 1.00 0.00 O ATOM 1513 CB ASP A 125 9.957 2.107 5.770 1.00 0.00 C ATOM 1514 CG ASP A 125 9.678 1.039 6.814 1.00 0.00 C ATOM 1515 OD1 ASP A 125 8.485 0.699 7.000 1.00 0.00 O ATOM 1516 OD2 ASP A 125 10.637 0.564 7.476 1.00 0.00 O ATOM 0 H ASP A 125 12.414 2.258 5.913 1.00 0.00 H new ATOM 0 HA ASP A 125 10.725 0.538 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 125 10.414 2.971 6.253 1.00 0.00 H new ATOM 0 HB3 ASP A 125 9.014 2.444 5.340 1.00 0.00 H new ATOM 1521 N ILE A 126 10.376 1.448 2.310 1.00 0.00 N ATOM 1522 CA ILE A 126 10.068 1.907 0.965 1.00 0.00 C ATOM 1523 C ILE A 126 8.602 2.306 0.862 1.00 0.00 C ATOM 1524 O ILE A 126 7.714 1.453 0.806 1.00 0.00 O ATOM 1525 CB ILE A 126 10.376 0.805 -0.073 1.00 0.00 C ATOM 1526 CG1 ILE A 126 11.833 0.351 0.060 1.00 0.00 C ATOM 1527 CG2 ILE A 126 10.101 1.304 -1.487 1.00 0.00 C ATOM 1528 CD1 ILE A 126 12.193 -0.823 -0.825 1.00 0.00 C ATOM 0 H ILE A 126 10.477 0.436 2.389 1.00 0.00 H new ATOM 0 HA ILE A 126 10.692 2.775 0.755 1.00 0.00 H new ATOM 0 HB ILE A 126 9.723 -0.046 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 126 12.488 1.189 -0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 126 12.026 0.083 1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.324 0.512 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE A 126 9.052 1.587 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 126 10.729 2.170 -1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 126 13.240 -1.085 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 126 11.565 -1.677 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 126 12.033 -0.554 -1.869 1.00 0.00 H new ATOM 1540 N GLY A 127 8.355 3.602 0.859 1.00 0.00 N ATOM 1541 CA GLY A 127 7.002 4.097 0.767 1.00 0.00 C ATOM 1542 C GLY A 127 6.748 4.800 -0.544 1.00 0.00 C ATOM 1543 O GLY A 127 7.658 4.931 -1.370 1.00 0.00 O ATOM 0 H GLY A 127 9.072 4.325 0.919 1.00 0.00 H new ATOM 0 HA2 GLY A 127 6.304 3.267 0.875 1.00 0.00 H new ATOM 0 HA3 GLY A 127 6.810 4.785 1.591 1.00 0.00 H new ATOM 1547 N ASN A 128 5.522 5.270 -0.744 1.00 0.00 N ATOM 1548 CA ASN A 128 5.182 5.977 -1.973 1.00 0.00 C ATOM 1549 C ASN A 128 5.900 7.319 -2.036 1.00 0.00 C ATOM 1550 O ASN A 128 6.157 7.843 -3.120 1.00 0.00 O ATOM 1551 CB ASN A 128 3.663 6.159 -2.148 1.00 0.00 C ATOM 1552 CG ASN A 128 2.950 6.714 -0.926 1.00 0.00 C ATOM 1553 OD1 ASN A 128 3.547 7.368 -0.074 1.00 0.00 O ATOM 1554 ND2 ASN A 128 1.647 6.487 -0.858 1.00 0.00 N ATOM 0 H ASN A 128 4.754 5.176 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 128 5.522 5.357 -2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 128 3.485 6.826 -2.991 1.00 0.00 H new ATOM 0 HB3 ASN A 128 3.222 5.196 -2.404 1.00 0.00 H new ATOM 0 HD21 ASN A 128 1.104 6.860 -0.079 1.00 0.00 H new ATOM 0 HD22 ASN A 128 1.186 5.939 -1.585 1.00 0.00 H new ATOM 1561 N TRP A 129 6.250 7.864 -0.878 1.00 0.00 N ATOM 1562 CA TRP A 129 7.041 9.086 -0.824 1.00 0.00 C ATOM 1563 C TRP A 129 8.492 8.780 -1.174 1.00 0.00 C ATOM 1564 O TRP A 129 9.186 9.605 -1.767 1.00 0.00 O ATOM 1565 CB TRP A 129 6.949 9.723 0.569 1.00 0.00 C ATOM 1566 CG TRP A 129 7.589 11.074 0.649 1.00 0.00 C ATOM 1567 CD1 TRP A 129 8.916 11.344 0.805 1.00 0.00 C ATOM 1568 CD2 TRP A 129 6.926 12.343 0.586 1.00 0.00 C ATOM 1569 NE1 TRP A 129 9.122 12.698 0.825 1.00 0.00 N ATOM 1570 CE2 TRP A 129 7.917 13.334 0.699 1.00 0.00 C ATOM 1571 CE3 TRP A 129 5.594 12.737 0.441 1.00 0.00 C ATOM 1572 CZ2 TRP A 129 7.618 14.692 0.673 1.00 0.00 C ATOM 1573 CZ3 TRP A 129 5.298 14.086 0.418 1.00 0.00 C ATOM 1574 CH2 TRP A 129 6.306 15.049 0.532 1.00 0.00 C ATOM 0 H TRP A 129 6.000 7.481 0.033 1.00 0.00 H new ATOM 0 HA TRP A 129 6.645 9.795 -1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 129 5.900 9.809 0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 129 7.422 9.062 1.295 1.00 0.00 H new ATOM 0 HD1 TRP A 129 9.692 10.599 0.899 1.00 0.00 H new ATOM 0 HE1 TRP A 129 10.028 13.158 0.919 1.00 0.00 H new ATOM 0 HE3 TRP A 129 4.810 12.000 0.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 8.394 15.438 0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 4.271 14.402 0.310 1.00 0.00 H new ATOM 0 HH2 TRP A 129 6.042 16.096 0.508 1.00 0.00 H new ATOM 1585 N THR A 130 8.930 7.577 -0.835 1.00 0.00 N ATOM 1586 CA THR A 130 10.290 7.150 -1.106 1.00 0.00 C ATOM 1587 C THR A 130 10.522 7.020 -2.608 1.00 0.00 C ATOM 1588 O THR A 130 11.506 7.529 -3.145 1.00 0.00 O ATOM 1589 CB THR A 130 10.578 5.800 -0.427 1.00 0.00 C ATOM 1590 OG1 THR A 130 10.127 5.841 0.932 1.00 0.00 O ATOM 1591 CG2 THR A 130 12.063 5.471 -0.463 1.00 0.00 C ATOM 0 H THR A 130 8.356 6.875 -0.368 1.00 0.00 H new ATOM 0 HA THR A 130 10.965 7.905 -0.703 1.00 0.00 H new ATOM 0 HB THR A 130 10.044 5.022 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.686 5.251 1.480 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.235 4.511 0.024 1.00 0.00 H new ATOM 0 HG22 THR A 130 12.399 5.417 -1.499 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.621 6.248 0.059 1.00 0.00 H new ATOM 1599 N ILE A 131 9.597 6.348 -3.281 1.00 0.00 N ATOM 1600 CA ILE A 131 9.716 6.123 -4.713 1.00 0.00 C ATOM 1601 C ILE A 131 9.385 7.392 -5.505 1.00 0.00 C ATOM 1602 O ILE A 131 10.036 7.695 -6.507 1.00 0.00 O ATOM 1603 CB ILE A 131 8.832 4.938 -5.183 1.00 0.00 C ATOM 1604 CG1 ILE A 131 8.893 4.771 -6.705 1.00 0.00 C ATOM 1605 CG2 ILE A 131 7.393 5.108 -4.719 1.00 0.00 C ATOM 1606 CD1 ILE A 131 10.261 4.386 -7.222 1.00 0.00 C ATOM 0 H ILE A 131 8.758 5.951 -2.858 1.00 0.00 H new ATOM 0 HA ILE A 131 10.755 5.861 -4.910 1.00 0.00 H new ATOM 0 HB ILE A 131 9.230 4.031 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.173 4.010 -7.007 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.586 5.705 -7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 131 6.797 4.263 -5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 131 7.365 5.153 -3.630 1.00 0.00 H new ATOM 0 HG23 ILE A 131 6.985 6.031 -5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 131 10.225 4.286 -8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 131 10.982 5.157 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 131 10.563 3.436 -6.780 1.00 0.00 H new ATOM 1618 N GLY A 132 8.399 8.148 -5.039 1.00 0.00 N ATOM 1619 CA GLY A 132 8.050 9.388 -5.703 1.00 0.00 C ATOM 1620 C GLY A 132 6.648 9.380 -6.277 1.00 0.00 C ATOM 1621 O GLY A 132 6.379 10.043 -7.277 1.00 0.00 O ATOM 0 H GLY A 132 7.837 7.926 -4.217 1.00 0.00 H new ATOM 0 HA2 GLY A 132 8.141 10.211 -4.994 1.00 0.00 H new ATOM 0 HA3 GLY A 132 8.764 9.577 -6.505 1.00 0.00 H new