USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 92 LYS NZ :NH3+ 137:sc= 0.799 (180deg=-0.232) USER MOD Set 1.2: A 94 HIS : no HD1:sc= 0 X(o=0.8,f=0.49) USER MOD Single : A 26 SER OG : rot 180:sc=-0.00542 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= -0.017 (180deg=-0.225) USER MOD Single : A 33 HIS : no HD1:sc= -0.637 K(o=-0.64,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.781 K(o=-0.78,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 37:sc= 0.407 USER MOD Single : A 51 SER OG : rot 93:sc= 1.13 USER MOD Single : A 52 SER OG : rot 180:sc= -0.223 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.42) USER MOD Single : A 91 TYR OH : rot 92:sc= 1.89 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0018 USER MOD Single : A 98 LYS NZ :NH3+ -154:sc= -3.14! (180deg=-4.71!) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.239 10.357 -6.627 1.00 0.00 N ATOM 28 CA LEU A 23 -6.396 8.951 -6.281 1.00 0.00 C ATOM 29 C LEU A 23 -6.213 8.743 -4.786 1.00 0.00 C ATOM 30 O LEU A 23 -5.340 9.345 -4.169 1.00 0.00 O ATOM 31 CB LEU A 23 -5.418 8.102 -7.090 1.00 0.00 C ATOM 32 CG LEU A 23 -5.437 8.401 -8.589 1.00 0.00 C ATOM 33 CD1 LEU A 23 -4.196 9.177 -9.003 1.00 0.00 C ATOM 34 CD2 LEU A 23 -5.567 7.115 -9.386 1.00 0.00 C ATOM 0 HA LEU A 23 -7.408 8.633 -6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.410 8.264 -6.709 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.652 7.049 -6.936 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.306 9.024 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.233 9.378 -10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.158 10.120 -8.458 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.307 8.590 -8.774 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.579 7.347 -10.451 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.721 6.463 -9.166 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.494 6.611 -9.114 1.00 0.00 H new ATOM 46 N ARG A 24 -7.068 7.908 -4.205 1.00 0.00 N ATOM 47 CA ARG A 24 -7.023 7.643 -2.771 1.00 0.00 C ATOM 48 C ARG A 24 -6.410 6.278 -2.466 1.00 0.00 C ATOM 49 O ARG A 24 -6.852 5.252 -2.982 1.00 0.00 O ATOM 50 CB ARG A 24 -8.434 7.748 -2.177 1.00 0.00 C ATOM 51 CG ARG A 24 -8.610 7.045 -0.836 1.00 0.00 C ATOM 52 CD ARG A 24 -9.413 7.893 0.137 1.00 0.00 C ATOM 53 NE ARG A 24 -10.683 8.331 -0.437 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.685 8.837 0.278 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.568 8.970 1.593 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.806 9.210 -0.324 1.00 0.00 N ATOM 0 H ARG A 24 -7.800 7.403 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.383 8.394 -2.309 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.686 8.802 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.146 7.329 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.113 6.090 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.632 6.826 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.604 7.320 1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.827 8.765 0.427 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.809 8.244 -1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.707 8.684 2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.339 9.358 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.900 9.109 -1.335 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.574 9.598 0.224 1.00 0.00 H new ATOM 70 N LEU A 25 -5.394 6.283 -1.607 1.00 0.00 N ATOM 71 CA LEU A 25 -4.715 5.064 -1.203 1.00 0.00 C ATOM 72 C LEU A 25 -5.395 4.472 0.025 1.00 0.00 C ATOM 73 O LEU A 25 -5.856 5.205 0.901 1.00 0.00 O ATOM 74 CB LEU A 25 -3.250 5.364 -0.889 1.00 0.00 C ATOM 75 CG LEU A 25 -2.303 4.178 -1.022 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.857 4.618 -0.866 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.641 3.106 -0.003 1.00 0.00 C ATOM 0 H LEU A 25 -5.023 7.130 -1.176 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.765 4.344 -2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.908 6.158 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.184 5.749 0.129 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.427 3.759 -2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.201 3.753 -0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.614 5.348 -1.638 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.718 5.068 0.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.953 2.268 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.551 3.518 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.662 2.761 -0.163 1.00 0.00 H new ATOM 89 N SER A 26 -5.455 3.149 0.092 1.00 0.00 N ATOM 90 CA SER A 26 -6.082 2.480 1.228 1.00 0.00 C ATOM 91 C SER A 26 -5.352 1.188 1.560 1.00 0.00 C ATOM 92 O SER A 26 -5.439 0.211 0.822 1.00 0.00 O ATOM 93 CB SER A 26 -7.553 2.187 0.925 1.00 0.00 C ATOM 94 OG SER A 26 -8.227 3.354 0.489 1.00 0.00 O ATOM 0 H SER A 26 -5.081 2.521 -0.619 1.00 0.00 H new ATOM 0 HA SER A 26 -6.023 3.144 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.623 1.415 0.158 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.040 1.794 1.818 1.00 0.00 H new ATOM 0 HG SER A 26 -9.164 3.139 0.301 1.00 0.00 H new ATOM 100 N VAL A 27 -4.631 1.185 2.673 1.00 0.00 N ATOM 101 CA VAL A 27 -3.885 0.005 3.083 1.00 0.00 C ATOM 102 C VAL A 27 -4.653 -0.823 4.104 1.00 0.00 C ATOM 103 O VAL A 27 -5.003 -0.342 5.181 1.00 0.00 O ATOM 104 CB VAL A 27 -2.502 0.380 3.646 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.608 0.963 5.047 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.582 -0.826 3.634 1.00 0.00 C ATOM 0 H VAL A 27 -4.547 1.982 3.304 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.744 -0.601 2.188 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.077 1.150 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.613 1.216 5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.224 1.862 5.021 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.063 0.230 5.713 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.608 -0.545 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.012 -1.618 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.464 -1.183 2.611 1.00 0.00 H new ATOM 116 N PHE A 28 -4.913 -2.072 3.746 1.00 0.00 N ATOM 117 CA PHE A 28 -5.639 -2.981 4.610 1.00 0.00 C ATOM 118 C PHE A 28 -4.703 -3.939 5.337 1.00 0.00 C ATOM 119 O PHE A 28 -3.651 -4.319 4.822 1.00 0.00 O ATOM 120 CB PHE A 28 -6.660 -3.773 3.803 1.00 0.00 C ATOM 121 CG PHE A 28 -7.950 -3.939 4.534 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.652 -2.826 4.958 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.451 -5.196 4.817 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.833 -2.960 5.650 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.633 -5.341 5.513 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.328 -4.221 5.931 1.00 0.00 C ATOM 0 H PHE A 28 -4.628 -2.478 2.855 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.153 -2.379 5.359 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.844 -3.266 2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.250 -4.755 3.565 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.268 -1.840 4.743 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -7.912 -6.073 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.373 -2.082 5.973 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.015 -6.327 5.731 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.254 -4.330 6.475 1.00 0.00 H new ATOM 136 N ARG A 29 -5.110 -4.328 6.539 1.00 0.00 N ATOM 137 CA ARG A 29 -4.339 -5.248 7.363 1.00 0.00 C ATOM 138 C ARG A 29 -5.277 -6.055 8.252 1.00 0.00 C ATOM 139 O ARG A 29 -6.025 -5.490 9.050 1.00 0.00 O ATOM 140 CB ARG A 29 -3.332 -4.480 8.222 1.00 0.00 C ATOM 141 CG ARG A 29 -2.591 -3.391 7.465 1.00 0.00 C ATOM 142 CD ARG A 29 -1.699 -2.576 8.388 1.00 0.00 C ATOM 143 NE ARG A 29 -2.461 -1.598 9.164 1.00 0.00 N ATOM 144 CZ ARG A 29 -3.002 -1.850 10.355 1.00 0.00 C ATOM 145 NH1 ARG A 29 -2.879 -3.048 10.913 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.671 -0.898 10.991 1.00 0.00 N ATOM 0 H ARG A 29 -5.981 -4.015 6.968 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.791 -5.928 6.711 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.855 -4.032 9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.607 -5.183 8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.986 -3.841 6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.310 -2.732 6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.172 -3.246 9.067 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.942 -2.060 7.798 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.586 -0.666 8.769 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -2.367 -3.786 10.430 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.297 -3.231 11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.771 0.025 10.568 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.086 -1.089 11.903 1.00 0.00 H new ATOM 160 N SER A 30 -5.243 -7.374 8.110 1.00 0.00 N ATOM 161 CA SER A 30 -6.107 -8.239 8.909 1.00 0.00 C ATOM 162 C SER A 30 -5.416 -8.635 10.214 1.00 0.00 C ATOM 163 O SER A 30 -5.609 -7.996 11.248 1.00 0.00 O ATOM 164 CB SER A 30 -6.497 -9.486 8.111 1.00 0.00 C ATOM 165 OG SER A 30 -7.426 -9.170 7.089 1.00 0.00 O ATOM 0 H SER A 30 -4.634 -7.866 7.456 1.00 0.00 H new ATOM 0 HA SER A 30 -7.013 -7.686 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.606 -9.933 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.928 -10.230 8.781 1.00 0.00 H new ATOM 0 HG SER A 30 -7.657 -9.984 6.594 1.00 0.00 H new ATOM 171 N LEU A 31 -4.600 -9.681 10.153 1.00 0.00 N ATOM 172 CA LEU A 31 -3.863 -10.155 11.318 1.00 0.00 C ATOM 173 C LEU A 31 -2.404 -10.364 10.943 1.00 0.00 C ATOM 174 O LEU A 31 -1.509 -9.706 11.474 1.00 0.00 O ATOM 175 CB LEU A 31 -4.465 -11.460 11.851 1.00 0.00 C ATOM 176 CG LEU A 31 -5.171 -12.332 10.806 1.00 0.00 C ATOM 177 CD1 LEU A 31 -4.748 -13.786 10.947 1.00 0.00 C ATOM 178 CD2 LEU A 31 -6.681 -12.202 10.935 1.00 0.00 C ATOM 0 H LEU A 31 -4.432 -10.220 9.303 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.932 -9.405 12.106 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.670 -12.046 12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.178 -11.217 12.638 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.878 -11.984 9.815 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.260 -14.388 10.197 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.670 -13.867 10.804 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.010 -14.146 11.942 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.165 -12.828 10.185 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.990 -12.522 11.930 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.971 -11.162 10.782 1.00 0.00 H new ATOM 190 N LYS A 32 -2.183 -11.268 9.998 1.00 0.00 N ATOM 191 CA LYS A 32 -0.845 -11.558 9.505 1.00 0.00 C ATOM 192 C LYS A 32 -0.766 -11.250 8.012 1.00 0.00 C ATOM 193 O LYS A 32 0.092 -11.774 7.301 1.00 0.00 O ATOM 194 CB LYS A 32 -0.488 -13.024 9.761 1.00 0.00 C ATOM 195 CG LYS A 32 0.263 -13.248 11.064 1.00 0.00 C ATOM 196 CD LYS A 32 1.767 -13.271 10.843 1.00 0.00 C ATOM 197 CE LYS A 32 2.220 -14.587 10.233 1.00 0.00 C ATOM 198 NZ LYS A 32 2.109 -15.715 11.198 1.00 0.00 N ATOM 0 H LYS A 32 -2.920 -11.817 9.555 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.130 -10.930 10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.403 -13.616 9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.119 -13.392 8.934 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.010 -12.458 11.771 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.055 -14.190 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.052 -12.448 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.278 -13.114 11.793 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.618 -14.804 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.254 -14.495 9.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.667 -16.523 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.471 -15.415 12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.112 -15.997 11.290 1.00 0.00 H new ATOM 212 N HIS A 33 -1.682 -10.401 7.545 1.00 0.00 N ATOM 213 CA HIS A 33 -1.738 -10.022 6.139 1.00 0.00 C ATOM 214 C HIS A 33 -1.484 -8.530 5.960 1.00 0.00 C ATOM 215 O HIS A 33 -1.690 -7.737 6.879 1.00 0.00 O ATOM 216 CB HIS A 33 -3.105 -10.384 5.553 1.00 0.00 C ATOM 217 CG HIS A 33 -3.319 -11.857 5.402 1.00 0.00 C ATOM 218 ND1 HIS A 33 -4.431 -12.399 4.793 1.00 0.00 N ATOM 219 CD2 HIS A 33 -2.554 -12.904 5.785 1.00 0.00 C ATOM 220 CE1 HIS A 33 -4.340 -13.718 4.810 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.210 -14.049 5.406 1.00 0.00 N ATOM 0 H HIS A 33 -2.397 -9.963 8.126 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.957 -10.570 5.612 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -3.886 -9.975 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.211 -9.908 4.578 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -1.603 -12.850 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.067 -14.407 4.405 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.878 -15.001 5.560 1.00 0.00 H new ATOM 230 N ILE A 34 -1.041 -8.159 4.766 1.00 0.00 N ATOM 231 CA ILE A 34 -0.762 -6.772 4.443 1.00 0.00 C ATOM 232 C ILE A 34 -1.192 -6.480 3.009 1.00 0.00 C ATOM 233 O ILE A 34 -0.865 -7.237 2.097 1.00 0.00 O ATOM 234 CB ILE A 34 0.739 -6.462 4.600 1.00 0.00 C ATOM 235 CG1 ILE A 34 1.043 -5.045 4.121 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.569 -7.480 3.831 1.00 0.00 C ATOM 237 CD1 ILE A 34 0.258 -3.983 4.856 1.00 0.00 C ATOM 0 H ILE A 34 -0.867 -8.810 4.000 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.322 -6.141 5.133 1.00 0.00 H new ATOM 0 HB ILE A 34 1.002 -6.529 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.108 -4.849 4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.826 -4.975 3.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.628 -7.250 3.950 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.369 -8.479 4.218 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.305 -7.441 2.774 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.522 -3.000 4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.809 -4.155 4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.494 -4.027 5.919 1.00 0.00 H new ATOM 249 N TYR A 35 -1.938 -5.398 2.810 1.00 0.00 N ATOM 250 CA TYR A 35 -2.414 -5.050 1.479 1.00 0.00 C ATOM 251 C TYR A 35 -2.552 -3.541 1.302 1.00 0.00 C ATOM 252 O TYR A 35 -2.850 -2.816 2.247 1.00 0.00 O ATOM 253 CB TYR A 35 -3.776 -5.706 1.222 1.00 0.00 C ATOM 254 CG TYR A 35 -3.710 -7.196 0.969 1.00 0.00 C ATOM 255 CD1 TYR A 35 -3.462 -8.087 2.005 1.00 0.00 C ATOM 256 CD2 TYR A 35 -3.896 -7.710 -0.308 1.00 0.00 C ATOM 257 CE1 TYR A 35 -3.398 -9.448 1.776 1.00 0.00 C ATOM 258 CE2 TYR A 35 -3.835 -9.070 -0.545 1.00 0.00 C ATOM 259 CZ TYR A 35 -3.586 -9.934 0.499 1.00 0.00 C ATOM 260 OH TYR A 35 -3.525 -11.289 0.267 1.00 0.00 O ATOM 0 H TYR A 35 -2.223 -4.753 3.547 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.676 -5.415 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.422 -5.523 2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.243 -5.224 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.317 -7.710 3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.091 -7.036 -1.129 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.202 -10.127 2.592 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.982 -9.454 -1.544 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.680 -11.465 -0.684 1.00 0.00 H new ATOM 270 N ALA A 36 -2.373 -3.089 0.067 1.00 0.00 N ATOM 271 CA ALA A 36 -2.522 -1.678 -0.272 1.00 0.00 C ATOM 272 C ALA A 36 -3.365 -1.547 -1.528 1.00 0.00 C ATOM 273 O ALA A 36 -3.021 -2.089 -2.578 1.00 0.00 O ATOM 274 CB ALA A 36 -1.181 -0.985 -0.471 1.00 0.00 C ATOM 0 H ALA A 36 -2.122 -3.684 -0.723 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.016 -1.186 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.347 0.063 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.598 -1.051 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.637 -1.470 -1.282 1.00 0.00 H new ATOM 280 N GLN A 37 -4.470 -0.833 -1.409 1.00 0.00 N ATOM 281 CA GLN A 37 -5.373 -0.632 -2.529 1.00 0.00 C ATOM 282 C GLN A 37 -5.353 0.820 -2.974 1.00 0.00 C ATOM 283 O GLN A 37 -5.790 1.713 -2.249 1.00 0.00 O ATOM 284 CB GLN A 37 -6.798 -1.047 -2.150 1.00 0.00 C ATOM 285 CG GLN A 37 -7.409 -2.061 -3.103 1.00 0.00 C ATOM 286 CD GLN A 37 -6.970 -3.481 -2.803 1.00 0.00 C ATOM 287 OE1 GLN A 37 -6.166 -3.717 -1.901 1.00 0.00 O ATOM 288 NE2 GLN A 37 -7.497 -4.436 -3.560 1.00 0.00 N ATOM 0 H GLN A 37 -4.765 -0.381 -0.544 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.036 -1.256 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.790 -1.465 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.431 -0.160 -2.122 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.496 -2.000 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.130 -1.807 -4.126 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.160 -4.195 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.239 -5.411 -3.405 1.00 0.00 H new ATOM 297 N ILE A 38 -4.848 1.044 -4.174 1.00 0.00 N ATOM 298 CA ILE A 38 -4.774 2.383 -4.728 1.00 0.00 C ATOM 299 C ILE A 38 -5.967 2.617 -5.644 1.00 0.00 C ATOM 300 O ILE A 38 -6.037 2.066 -6.746 1.00 0.00 O ATOM 301 CB ILE A 38 -3.459 2.615 -5.502 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.325 1.714 -4.952 1.00 0.00 C ATOM 303 CG2 ILE A 38 -3.083 4.089 -5.441 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.420 2.361 -3.924 1.00 0.00 C ATOM 0 H ILE A 38 -4.482 0.313 -4.785 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.794 3.093 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.607 2.340 -6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.774 0.825 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.713 1.378 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.154 4.251 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.877 4.686 -5.890 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.948 4.387 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.662 1.646 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.935 3.232 -4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.011 2.671 -3.063 1.00 0.00 H new ATOM 316 N ILE A 39 -6.924 3.400 -5.153 1.00 0.00 N ATOM 317 CA ILE A 39 -8.153 3.675 -5.893 1.00 0.00 C ATOM 318 C ILE A 39 -8.161 5.051 -6.550 1.00 0.00 C ATOM 319 O ILE A 39 -7.452 5.966 -6.132 1.00 0.00 O ATOM 320 CB ILE A 39 -9.379 3.586 -4.963 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.332 2.298 -4.141 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.670 3.671 -5.763 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.664 2.474 -2.796 1.00 0.00 C ATOM 0 H ILE A 39 -6.872 3.857 -4.243 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.200 2.918 -6.676 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.353 4.432 -4.276 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.348 1.934 -3.990 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.800 1.533 -4.706 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.522 3.606 -5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.704 4.619 -6.299 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.710 2.849 -6.477 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.663 1.523 -2.263 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.637 2.809 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.209 3.216 -2.213 1.00 0.00 H new ATOM 335 N ASP A 40 -9.011 5.183 -7.565 1.00 0.00 N ATOM 336 CA ASP A 40 -9.181 6.434 -8.283 1.00 0.00 C ATOM 337 C ASP A 40 -10.270 7.249 -7.601 1.00 0.00 C ATOM 338 O ASP A 40 -11.416 6.790 -7.486 1.00 0.00 O ATOM 339 CB ASP A 40 -9.555 6.173 -9.746 1.00 0.00 C ATOM 340 CG ASP A 40 -8.702 6.971 -10.712 1.00 0.00 C ATOM 341 OD1 ASP A 40 -8.217 8.053 -10.322 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.521 6.514 -11.861 1.00 0.00 O ATOM 0 H ASP A 40 -9.599 4.424 -7.909 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.242 6.987 -8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.446 5.110 -9.962 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.605 6.424 -9.900 1.00 0.00 H new ATOM 347 N ASP A 41 -9.883 8.437 -7.134 1.00 0.00 N ATOM 348 CA ASP A 41 -10.782 9.347 -6.420 1.00 0.00 C ATOM 349 C ASP A 41 -11.444 10.359 -7.354 1.00 0.00 C ATOM 350 O ASP A 41 -11.917 11.407 -6.915 1.00 0.00 O ATOM 351 CB ASP A 41 -10.016 10.086 -5.321 1.00 0.00 C ATOM 352 CG ASP A 41 -10.885 10.392 -4.117 1.00 0.00 C ATOM 353 OD1 ASP A 41 -11.041 9.501 -3.256 1.00 0.00 O ATOM 354 OD2 ASP A 41 -11.410 11.522 -4.035 1.00 0.00 O ATOM 0 H ASP A 41 -8.935 8.797 -7.240 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.572 8.739 -5.979 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.164 9.483 -5.007 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.616 11.017 -5.723 1.00 0.00 H new ATOM 359 N GLU A 42 -11.528 10.009 -8.625 1.00 0.00 N ATOM 360 CA GLU A 42 -12.193 10.846 -9.620 1.00 0.00 C ATOM 361 C GLU A 42 -13.490 10.139 -9.931 1.00 0.00 C ATOM 362 O GLU A 42 -14.584 10.701 -9.868 1.00 0.00 O ATOM 363 CB GLU A 42 -11.333 10.998 -10.878 1.00 0.00 C ATOM 364 CG GLU A 42 -12.055 11.671 -12.034 1.00 0.00 C ATOM 365 CD GLU A 42 -11.103 12.174 -13.102 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.015 12.670 -12.741 1.00 0.00 O ATOM 367 OE2 GLU A 42 -11.445 12.071 -14.298 1.00 0.00 O ATOM 0 H GLU A 42 -11.141 9.143 -9.000 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.362 11.857 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.443 11.576 -10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.994 10.012 -11.197 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.756 10.965 -12.480 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.643 12.506 -11.654 1.00 0.00 H new ATOM 374 N LYS A 43 -13.316 8.853 -10.159 1.00 0.00 N ATOM 375 CA LYS A 43 -14.388 7.922 -10.371 1.00 0.00 C ATOM 376 C LYS A 43 -13.985 6.695 -9.580 1.00 0.00 C ATOM 377 O LYS A 43 -12.931 6.120 -9.844 1.00 0.00 O ATOM 378 CB LYS A 43 -14.547 7.587 -11.856 1.00 0.00 C ATOM 379 CG LYS A 43 -15.505 8.510 -12.591 1.00 0.00 C ATOM 380 CD LYS A 43 -14.993 8.853 -13.980 1.00 0.00 C ATOM 381 CE LYS A 43 -15.694 10.077 -14.546 1.00 0.00 C ATOM 382 NZ LYS A 43 -15.381 10.281 -15.988 1.00 0.00 N ATOM 0 H LYS A 43 -12.393 8.421 -10.202 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.350 8.325 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.570 7.634 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.900 6.560 -11.952 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -16.482 8.034 -12.670 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.642 9.426 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.919 9.034 -13.938 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.147 8.004 -14.646 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.771 9.968 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.395 10.960 -13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.879 11.126 -16.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.356 10.410 -16.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.690 9.450 -16.531 1.00 0.00 H new ATOM 396 N GLY A 44 -14.779 6.321 -8.587 1.00 0.00 N ATOM 397 CA GLY A 44 -14.424 5.184 -7.756 1.00 0.00 C ATOM 398 C GLY A 44 -13.886 4.023 -8.563 1.00 0.00 C ATOM 399 O GLY A 44 -14.652 3.182 -9.036 1.00 0.00 O ATOM 0 H GLY A 44 -15.657 6.779 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.676 5.492 -7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.301 4.858 -7.197 1.00 0.00 H new ATOM 403 N VAL A 45 -12.567 3.991 -8.756 1.00 0.00 N ATOM 404 CA VAL A 45 -11.962 2.928 -9.559 1.00 0.00 C ATOM 405 C VAL A 45 -10.662 2.391 -8.963 1.00 0.00 C ATOM 406 O VAL A 45 -9.646 3.077 -8.956 1.00 0.00 O ATOM 407 CB VAL A 45 -11.670 3.440 -10.986 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.931 2.390 -11.804 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.959 3.851 -11.684 1.00 0.00 C ATOM 0 H VAL A 45 -11.909 4.672 -8.377 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.685 2.113 -9.576 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.028 4.317 -10.903 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.738 2.777 -12.804 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.985 2.151 -11.319 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.540 1.489 -11.875 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.731 4.209 -12.688 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.628 2.993 -11.748 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.442 4.646 -11.117 1.00 0.00 H new ATOM 419 N THR A 46 -10.684 1.138 -8.512 1.00 0.00 N ATOM 420 CA THR A 46 -9.483 0.513 -7.967 1.00 0.00 C ATOM 421 C THR A 46 -8.489 0.263 -9.096 1.00 0.00 C ATOM 422 O THR A 46 -8.748 -0.537 -9.995 1.00 0.00 O ATOM 423 CB THR A 46 -9.825 -0.802 -7.261 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.001 -0.662 -6.485 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.724 -1.294 -6.343 1.00 0.00 C ATOM 0 H THR A 46 -11.512 0.542 -8.513 1.00 0.00 H new ATOM 0 HA THR A 46 -9.038 1.183 -7.231 1.00 0.00 H new ATOM 0 HB THR A 46 -9.962 -1.531 -8.059 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.204 -1.513 -6.043 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.031 -2.229 -5.875 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.815 -1.459 -6.921 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.533 -0.548 -5.572 1.00 0.00 H new ATOM 433 N LEU A 47 -7.364 0.968 -9.063 1.00 0.00 N ATOM 434 CA LEU A 47 -6.354 0.834 -10.107 1.00 0.00 C ATOM 435 C LEU A 47 -5.326 -0.238 -9.776 1.00 0.00 C ATOM 436 O LEU A 47 -5.121 -1.169 -10.555 1.00 0.00 O ATOM 437 CB LEU A 47 -5.642 2.165 -10.344 1.00 0.00 C ATOM 438 CG LEU A 47 -6.534 3.396 -10.281 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.642 3.915 -8.857 1.00 0.00 C ATOM 440 CD2 LEU A 47 -6.007 4.475 -11.210 1.00 0.00 C ATOM 0 H LEU A 47 -7.129 1.635 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.878 0.533 -11.014 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.849 2.272 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.162 2.133 -11.322 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.534 3.114 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.285 4.795 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.068 3.141 -8.219 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.651 4.182 -8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.654 5.350 -11.155 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.996 4.752 -10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.991 4.099 -12.233 1.00 0.00 H new ATOM 452 N VAL A 48 -4.656 -0.095 -8.637 1.00 0.00 N ATOM 453 CA VAL A 48 -3.631 -1.051 -8.251 1.00 0.00 C ATOM 454 C VAL A 48 -3.855 -1.597 -6.843 1.00 0.00 C ATOM 455 O VAL A 48 -4.376 -0.909 -5.966 1.00 0.00 O ATOM 456 CB VAL A 48 -2.228 -0.408 -8.353 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.284 -0.946 -7.289 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.652 -0.627 -9.743 1.00 0.00 C ATOM 0 H VAL A 48 -4.804 0.665 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.696 -1.890 -8.944 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.336 0.663 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.309 -0.470 -7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.689 -0.730 -6.300 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.177 -2.024 -7.409 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.664 -0.170 -9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.570 -1.696 -9.939 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.308 -0.172 -10.485 1.00 0.00 H new ATOM 468 N SER A 49 -3.435 -2.842 -6.645 1.00 0.00 N ATOM 469 CA SER A 49 -3.556 -3.510 -5.357 1.00 0.00 C ATOM 470 C SER A 49 -2.426 -4.519 -5.191 1.00 0.00 C ATOM 471 O SER A 49 -2.338 -5.492 -5.940 1.00 0.00 O ATOM 472 CB SER A 49 -4.913 -4.205 -5.240 1.00 0.00 C ATOM 473 OG SER A 49 -5.120 -5.108 -6.312 1.00 0.00 O ATOM 0 H SER A 49 -3.003 -3.414 -7.371 1.00 0.00 H new ATOM 0 HA SER A 49 -3.485 -2.765 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.969 -4.742 -4.293 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.707 -3.459 -5.231 1.00 0.00 H new ATOM 0 HG SER A 49 -4.273 -5.547 -6.538 1.00 0.00 H new ATOM 479 N ALA A 50 -1.550 -4.274 -4.222 1.00 0.00 N ATOM 480 CA ALA A 50 -0.413 -5.160 -3.986 1.00 0.00 C ATOM 481 C ALA A 50 -0.300 -5.568 -2.520 1.00 0.00 C ATOM 482 O ALA A 50 -0.698 -4.825 -1.623 1.00 0.00 O ATOM 483 CB ALA A 50 0.875 -4.492 -4.444 1.00 0.00 C ATOM 0 H ALA A 50 -1.604 -3.475 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.579 -6.067 -4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.716 -5.161 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.811 -4.269 -5.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.022 -3.566 -3.888 1.00 0.00 H new ATOM 489 N SER A 51 0.252 -6.757 -2.290 1.00 0.00 N ATOM 490 CA SER A 51 0.429 -7.275 -0.938 1.00 0.00 C ATOM 491 C SER A 51 1.643 -8.199 -0.860 1.00 0.00 C ATOM 492 O SER A 51 1.996 -8.858 -1.837 1.00 0.00 O ATOM 493 CB SER A 51 -0.831 -8.017 -0.490 1.00 0.00 C ATOM 494 OG SER A 51 -0.524 -9.053 0.428 1.00 0.00 O ATOM 0 H SER A 51 0.585 -7.380 -3.025 1.00 0.00 H new ATOM 0 HA SER A 51 0.602 -6.432 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.524 -7.314 -0.028 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.336 -8.438 -1.360 1.00 0.00 H new ATOM 0 HG SER A 51 -0.600 -8.712 1.344 1.00 0.00 H new ATOM 500 N SER A 52 2.277 -8.241 0.309 1.00 0.00 N ATOM 501 CA SER A 52 3.453 -9.084 0.512 1.00 0.00 C ATOM 502 C SER A 52 3.119 -10.558 0.292 1.00 0.00 C ATOM 503 O SER A 52 3.772 -11.242 -0.495 1.00 0.00 O ATOM 504 CB SER A 52 4.013 -8.882 1.921 1.00 0.00 C ATOM 505 OG SER A 52 4.647 -7.621 2.043 1.00 0.00 O ATOM 0 H SER A 52 1.997 -7.703 1.129 1.00 0.00 H new ATOM 0 HA SER A 52 4.206 -8.791 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.207 -8.959 2.650 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.726 -9.674 2.149 1.00 0.00 H new ATOM 0 HG SER A 52 4.995 -7.516 2.953 1.00 0.00 H new ATOM 679 N GLU A 63 9.392 -6.240 7.480 1.00 0.00 N ATOM 680 CA GLU A 63 10.643 -6.221 6.733 1.00 0.00 C ATOM 681 C GLU A 63 10.390 -6.028 5.241 1.00 0.00 C ATOM 682 O GLU A 63 11.117 -5.295 4.570 1.00 0.00 O ATOM 683 CB GLU A 63 11.419 -7.519 6.966 1.00 0.00 C ATOM 684 CG GLU A 63 12.928 -7.343 6.911 1.00 0.00 C ATOM 685 CD GLU A 63 13.675 -8.581 7.369 1.00 0.00 C ATOM 686 OE1 GLU A 63 13.471 -9.655 6.764 1.00 0.00 O ATOM 687 OE2 GLU A 63 14.463 -8.476 8.331 1.00 0.00 O ATOM 0 HA GLU A 63 11.235 -5.379 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.144 -7.927 7.939 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.119 -8.251 6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.225 -7.100 5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.215 -6.498 7.536 1.00 0.00 H new ATOM 694 N VAL A 64 9.358 -6.689 4.723 1.00 0.00 N ATOM 695 CA VAL A 64 9.022 -6.583 3.308 1.00 0.00 C ATOM 696 C VAL A 64 8.006 -5.479 3.055 1.00 0.00 C ATOM 697 O VAL A 64 7.942 -4.944 1.953 1.00 0.00 O ATOM 698 CB VAL A 64 8.457 -7.905 2.748 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.987 -7.724 1.306 1.00 0.00 C ATOM 700 CG2 VAL A 64 9.497 -9.011 2.842 1.00 0.00 C ATOM 0 H VAL A 64 8.743 -7.301 5.260 1.00 0.00 H new ATOM 0 HA VAL A 64 9.955 -6.346 2.796 1.00 0.00 H new ATOM 0 HB VAL A 64 7.596 -8.193 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.592 -8.668 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.206 -6.965 1.271 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.827 -7.410 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.081 -9.936 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.379 -8.731 2.266 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.777 -9.160 3.885 1.00 0.00 H new ATOM 710 N ALA A 65 7.202 -5.156 4.067 1.00 0.00 N ATOM 711 CA ALA A 65 6.174 -4.123 3.933 1.00 0.00 C ATOM 712 C ALA A 65 6.608 -3.016 2.979 1.00 0.00 C ATOM 713 O ALA A 65 5.826 -2.545 2.161 1.00 0.00 O ATOM 714 CB ALA A 65 5.828 -3.539 5.285 1.00 0.00 C ATOM 0 H ALA A 65 7.242 -5.593 4.988 1.00 0.00 H new ATOM 0 HA ALA A 65 5.287 -4.598 3.513 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.062 -2.773 5.165 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.453 -4.328 5.937 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.719 -3.095 5.728 1.00 0.00 H new ATOM 720 N ARG A 66 7.868 -2.625 3.067 1.00 0.00 N ATOM 721 CA ARG A 66 8.394 -1.598 2.183 1.00 0.00 C ATOM 722 C ARG A 66 8.424 -2.123 0.775 1.00 0.00 C ATOM 723 O ARG A 66 7.777 -1.589 -0.123 1.00 0.00 O ATOM 724 CB ARG A 66 9.793 -1.196 2.601 1.00 0.00 C ATOM 725 CG ARG A 66 9.948 0.298 2.703 1.00 0.00 C ATOM 726 CD ARG A 66 11.063 0.803 1.821 1.00 0.00 C ATOM 727 NE ARG A 66 12.358 0.233 2.186 1.00 0.00 N ATOM 728 CZ ARG A 66 13.117 0.692 3.178 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.714 1.723 3.911 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.284 0.119 3.439 1.00 0.00 N ATOM 0 H ARG A 66 8.541 -2.999 3.736 1.00 0.00 H new ATOM 0 HA ARG A 66 7.749 -0.721 2.241 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.028 -1.651 3.563 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.512 -1.586 1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.013 0.781 2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.149 0.574 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.841 0.559 0.782 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.114 1.890 1.890 1.00 0.00 H new ATOM 0 HE ARG A 66 12.700 -0.564 1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.818 2.168 3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.301 2.070 4.670 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.600 -0.673 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.866 0.471 4.199 1.00 0.00 H new ATOM 744 N GLN A 67 9.162 -3.200 0.604 1.00 0.00 N ATOM 745 CA GLN A 67 9.260 -3.855 -0.686 1.00 0.00 C ATOM 746 C GLN A 67 7.857 -4.071 -1.248 1.00 0.00 C ATOM 747 O GLN A 67 7.657 -4.121 -2.465 1.00 0.00 O ATOM 748 CB GLN A 67 9.988 -5.194 -0.556 1.00 0.00 C ATOM 749 CG GLN A 67 11.499 -5.077 -0.665 1.00 0.00 C ATOM 750 CD GLN A 67 12.225 -6.168 0.097 1.00 0.00 C ATOM 751 OE1 GLN A 67 12.390 -6.087 1.314 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.665 -7.197 -0.618 1.00 0.00 N ATOM 0 H GLN A 67 9.705 -3.643 1.345 1.00 0.00 H new ATOM 0 HA GLN A 67 9.832 -3.222 -1.365 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.735 -5.644 0.404 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.627 -5.871 -1.330 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.788 -5.119 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.813 -4.104 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.506 -7.223 -1.625 1.00 0.00 H new ATOM 0 HE22 GLN A 67 13.162 -7.961 -0.160 1.00 0.00 H new ATOM 761 N VAL A 68 6.870 -4.164 -0.350 1.00 0.00 N ATOM 762 CA VAL A 68 5.496 -4.337 -0.790 1.00 0.00 C ATOM 763 C VAL A 68 4.954 -3.007 -1.291 1.00 0.00 C ATOM 764 O VAL A 68 4.148 -2.959 -2.219 1.00 0.00 O ATOM 765 CB VAL A 68 4.560 -4.935 0.299 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.878 -3.873 1.159 1.00 0.00 C ATOM 767 CG2 VAL A 68 3.510 -5.799 -0.371 1.00 0.00 C ATOM 0 H VAL A 68 6.999 -4.123 0.661 1.00 0.00 H new ATOM 0 HA VAL A 68 5.511 -5.068 -1.598 1.00 0.00 H new ATOM 0 HB VAL A 68 5.183 -5.526 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.240 -4.358 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.635 -3.276 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.272 -3.226 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.850 -6.222 0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.927 -5.192 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.998 -6.605 -0.919 1.00 0.00 H new ATOM 777 N GLY A 69 5.433 -1.923 -0.682 1.00 0.00 N ATOM 778 CA GLY A 69 5.014 -0.608 -1.098 1.00 0.00 C ATOM 779 C GLY A 69 5.727 -0.192 -2.363 1.00 0.00 C ATOM 780 O GLY A 69 5.212 0.610 -3.125 1.00 0.00 O ATOM 0 H GLY A 69 6.101 -1.939 0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.937 -0.600 -1.263 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.220 0.112 -0.306 1.00 0.00 H new ATOM 784 N ARG A 70 6.923 -0.745 -2.585 1.00 0.00 N ATOM 785 CA ARG A 70 7.694 -0.424 -3.780 1.00 0.00 C ATOM 786 C ARG A 70 7.045 -1.072 -4.989 1.00 0.00 C ATOM 787 O ARG A 70 6.960 -0.467 -6.049 1.00 0.00 O ATOM 788 CB ARG A 70 9.162 -0.855 -3.631 1.00 0.00 C ATOM 789 CG ARG A 70 9.436 -2.317 -3.953 1.00 0.00 C ATOM 790 CD ARG A 70 10.904 -2.548 -4.272 1.00 0.00 C ATOM 791 NE ARG A 70 11.298 -3.939 -4.063 1.00 0.00 N ATOM 792 CZ ARG A 70 12.392 -4.486 -4.589 1.00 0.00 C ATOM 793 NH1 ARG A 70 13.204 -3.764 -5.350 1.00 0.00 N ATOM 794 NH2 ARG A 70 12.675 -5.760 -4.352 1.00 0.00 N ATOM 0 H ARG A 70 7.372 -1.411 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 70 7.696 0.657 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.776 -0.233 -4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.482 -0.657 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 70 9.144 -2.939 -3.107 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.825 -2.625 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.098 -2.268 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 70 11.517 -1.900 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 70 10.700 -4.525 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.992 -2.784 -5.535 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.040 -4.189 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.055 -6.320 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.513 -6.180 -4.755 1.00 0.00 H new ATOM 808 N ALA A 71 6.555 -2.294 -4.814 1.00 0.00 N ATOM 809 CA ALA A 71 5.875 -2.982 -5.898 1.00 0.00 C ATOM 810 C ALA A 71 4.548 -2.294 -6.169 1.00 0.00 C ATOM 811 O ALA A 71 4.140 -2.121 -7.316 1.00 0.00 O ATOM 812 CB ALA A 71 5.648 -4.442 -5.554 1.00 0.00 C ATOM 0 H ALA A 71 6.616 -2.821 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 71 6.499 -2.942 -6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.137 -4.936 -6.381 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.608 -4.928 -5.378 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.035 -4.513 -4.655 1.00 0.00 H new ATOM 818 N LEU A 72 3.897 -1.877 -5.089 1.00 0.00 N ATOM 819 CA LEU A 72 2.629 -1.176 -5.173 1.00 0.00 C ATOM 820 C LEU A 72 2.846 0.164 -5.835 1.00 0.00 C ATOM 821 O LEU A 72 2.184 0.518 -6.804 1.00 0.00 O ATOM 822 CB LEU A 72 2.068 -0.959 -3.772 1.00 0.00 C ATOM 823 CG LEU A 72 0.753 -0.181 -3.709 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.420 -1.126 -3.496 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.814 0.864 -2.603 1.00 0.00 C ATOM 0 H LEU A 72 4.234 -2.016 -4.137 1.00 0.00 H new ATOM 0 HA LEU A 72 1.925 -1.769 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.919 -1.932 -3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.813 -0.430 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 72 0.604 0.330 -4.660 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.346 -0.553 -3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.470 -1.836 -4.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.286 -1.667 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.128 1.412 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.983 0.371 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.630 1.558 -2.803 1.00 0.00 H new ATOM 837 N ALA A 73 3.801 0.893 -5.291 1.00 0.00 N ATOM 838 CA ALA A 73 4.156 2.204 -5.809 1.00 0.00 C ATOM 839 C ALA A 73 4.711 2.089 -7.208 1.00 0.00 C ATOM 840 O ALA A 73 4.587 3.010 -8.008 1.00 0.00 O ATOM 841 CB ALA A 73 5.152 2.905 -4.896 1.00 0.00 C ATOM 0 H ALA A 73 4.350 0.598 -4.484 1.00 0.00 H new ATOM 0 HA ALA A 73 3.249 2.808 -5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.399 3.883 -5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.713 3.030 -3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.059 2.305 -4.818 1.00 0.00 H new ATOM 847 N GLU A 74 5.294 0.944 -7.510 1.00 0.00 N ATOM 848 CA GLU A 74 5.830 0.710 -8.830 1.00 0.00 C ATOM 849 C GLU A 74 4.668 0.403 -9.768 1.00 0.00 C ATOM 850 O GLU A 74 4.676 0.769 -10.943 1.00 0.00 O ATOM 851 CB GLU A 74 6.847 -0.428 -8.787 1.00 0.00 C ATOM 852 CG GLU A 74 8.229 0.011 -8.333 1.00 0.00 C ATOM 853 CD GLU A 74 9.034 -1.124 -7.731 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.741 -2.295 -8.053 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.956 -0.843 -6.937 1.00 0.00 O ATOM 0 H GLU A 74 5.406 0.167 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 74 6.355 1.592 -9.198 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.482 -1.205 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.924 -0.874 -9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.772 0.425 -9.183 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.129 0.810 -7.598 1.00 0.00 H new ATOM 862 N LYS A 75 3.644 -0.236 -9.202 1.00 0.00 N ATOM 863 CA LYS A 75 2.428 -0.566 -9.921 1.00 0.00 C ATOM 864 C LYS A 75 1.630 0.696 -10.183 1.00 0.00 C ATOM 865 O LYS A 75 1.504 1.153 -11.317 1.00 0.00 O ATOM 866 CB LYS A 75 1.595 -1.520 -9.073 1.00 0.00 C ATOM 867 CG LYS A 75 2.010 -2.947 -9.252 1.00 0.00 C ATOM 868 CD LYS A 75 0.916 -3.917 -8.844 1.00 0.00 C ATOM 869 CE LYS A 75 1.184 -4.482 -7.462 1.00 0.00 C ATOM 870 NZ LYS A 75 2.104 -5.653 -7.508 1.00 0.00 N ATOM 0 H LYS A 75 3.641 -0.538 -8.228 1.00 0.00 H new ATOM 0 HA LYS A 75 2.682 -1.035 -10.872 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.689 -1.245 -8.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.543 -1.414 -9.337 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.275 -3.119 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.904 -3.141 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.048 -3.409 -8.853 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.855 -4.729 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.616 -3.706 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.241 -4.779 -7.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.261 -6.009 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.681 -6.404 -8.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.013 -5.364 -7.923 1.00 0.00 H new ATOM 884 N ALA A 76 1.108 1.253 -9.099 1.00 0.00 N ATOM 885 CA ALA A 76 0.324 2.488 -9.153 1.00 0.00 C ATOM 886 C ALA A 76 1.001 3.500 -10.064 1.00 0.00 C ATOM 887 O ALA A 76 0.359 4.165 -10.881 1.00 0.00 O ATOM 888 CB ALA A 76 0.159 3.086 -7.762 1.00 0.00 C ATOM 0 H ALA A 76 1.213 0.867 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.662 2.246 -9.550 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.427 4.003 -7.827 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.355 2.372 -7.118 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.140 3.311 -7.344 1.00 0.00 H new ATOM 894 N LEU A 77 2.313 3.596 -9.920 1.00 0.00 N ATOM 895 CA LEU A 77 3.103 4.500 -10.731 1.00 0.00 C ATOM 896 C LEU A 77 2.895 4.227 -12.213 1.00 0.00 C ATOM 897 O LEU A 77 2.838 5.148 -13.026 1.00 0.00 O ATOM 898 CB LEU A 77 4.579 4.353 -10.384 1.00 0.00 C ATOM 899 CG LEU A 77 5.110 5.311 -9.321 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.563 4.988 -9.007 1.00 0.00 C ATOM 901 CD2 LEU A 77 4.967 6.753 -9.785 1.00 0.00 C ATOM 0 H LEU A 77 2.853 3.055 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 77 2.778 5.519 -10.520 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.753 3.332 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.162 4.491 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 77 4.523 5.188 -8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.933 5.677 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.637 3.966 -8.636 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.162 5.090 -9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.350 7.423 -9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.533 6.897 -10.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.915 6.974 -9.967 1.00 0.00 H new ATOM 913 N ALA A 78 2.781 2.951 -12.551 1.00 0.00 N ATOM 914 CA ALA A 78 2.572 2.537 -13.929 1.00 0.00 C ATOM 915 C ALA A 78 1.350 3.231 -14.527 1.00 0.00 C ATOM 916 O ALA A 78 1.251 3.399 -15.743 1.00 0.00 O ATOM 917 CB ALA A 78 2.437 1.030 -13.992 1.00 0.00 C ATOM 0 H ALA A 78 2.830 2.181 -11.884 1.00 0.00 H new ATOM 0 HA ALA A 78 3.435 2.833 -14.525 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.280 0.722 -15.026 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.346 0.567 -13.609 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.587 0.715 -13.387 1.00 0.00 H new ATOM 923 N LEU A 79 0.443 3.670 -13.658 1.00 0.00 N ATOM 924 CA LEU A 79 -0.747 4.389 -14.084 1.00 0.00 C ATOM 925 C LEU A 79 -0.427 5.876 -14.126 1.00 0.00 C ATOM 926 O LEU A 79 -1.047 6.649 -14.857 1.00 0.00 O ATOM 927 CB LEU A 79 -1.920 4.170 -13.113 1.00 0.00 C ATOM 928 CG LEU A 79 -1.833 2.964 -12.173 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.386 3.338 -10.805 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.595 1.782 -12.753 1.00 0.00 C ATOM 0 H LEU A 79 0.514 3.537 -12.649 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.039 4.016 -15.066 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.026 5.067 -12.503 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.833 4.075 -13.701 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.788 2.673 -12.064 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.322 2.477 -10.139 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.805 4.161 -10.390 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.428 3.643 -10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.523 0.933 -12.073 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.642 2.054 -12.885 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.166 1.511 -13.718 1.00 0.00 H new ATOM 942 N GLY A 80 0.544 6.258 -13.304 1.00 0.00 N ATOM 943 CA GLY A 80 0.957 7.635 -13.201 1.00 0.00 C ATOM 944 C GLY A 80 0.537 8.233 -11.876 1.00 0.00 C ATOM 945 O GLY A 80 0.505 9.453 -11.715 1.00 0.00 O ATOM 0 H GLY A 80 1.058 5.619 -12.698 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.040 7.702 -13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.521 8.211 -14.018 1.00 0.00 H new ATOM 949 N ILE A 81 0.211 7.361 -10.922 1.00 0.00 N ATOM 950 CA ILE A 81 -0.212 7.795 -9.603 1.00 0.00 C ATOM 951 C ILE A 81 0.981 8.251 -8.794 1.00 0.00 C ATOM 952 O ILE A 81 1.763 7.447 -8.285 1.00 0.00 O ATOM 953 CB ILE A 81 -0.996 6.675 -8.869 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.405 6.511 -9.472 1.00 0.00 C ATOM 955 CG2 ILE A 81 -1.099 6.958 -7.374 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.571 7.095 -10.862 1.00 0.00 C ATOM 0 H ILE A 81 0.234 6.349 -11.045 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.889 8.641 -9.720 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.443 5.745 -9.004 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.649 5.449 -9.507 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.128 6.982 -8.806 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.654 6.155 -6.889 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.099 7.018 -6.945 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.618 7.904 -7.218 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.593 6.933 -11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.363 8.165 -10.835 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.877 6.608 -11.547 1.00 0.00 H new ATOM 968 N LYS A 82 1.108 9.562 -8.699 1.00 0.00 N ATOM 969 CA LYS A 82 2.193 10.176 -7.977 1.00 0.00 C ATOM 970 C LYS A 82 1.762 10.556 -6.564 1.00 0.00 C ATOM 971 O LYS A 82 2.471 10.288 -5.598 1.00 0.00 O ATOM 972 CB LYS A 82 2.674 11.412 -8.733 1.00 0.00 C ATOM 973 CG LYS A 82 3.625 12.250 -7.917 1.00 0.00 C ATOM 974 CD LYS A 82 4.902 12.571 -8.678 1.00 0.00 C ATOM 975 CE LYS A 82 5.675 11.311 -9.033 1.00 0.00 C ATOM 976 NZ LYS A 82 6.435 11.466 -10.304 1.00 0.00 N ATOM 0 H LYS A 82 0.459 10.226 -9.122 1.00 0.00 H new ATOM 0 HA LYS A 82 3.010 9.459 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.166 11.102 -9.655 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.814 12.017 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.133 13.179 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.875 11.722 -6.997 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.656 13.116 -9.589 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.531 13.226 -8.075 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.365 11.068 -8.225 1.00 0.00 H new ATOM 0 HE3 LYS A 82 4.983 10.474 -9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.948 10.586 -10.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.775 11.672 -11.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.114 12.248 -10.210 1.00 0.00 H new ATOM 990 N GLN A 83 0.599 11.188 -6.455 1.00 0.00 N ATOM 991 CA GLN A 83 0.077 11.608 -5.160 1.00 0.00 C ATOM 992 C GLN A 83 -1.232 10.895 -4.853 1.00 0.00 C ATOM 993 O GLN A 83 -2.107 10.792 -5.713 1.00 0.00 O ATOM 994 CB GLN A 83 -0.133 13.124 -5.140 1.00 0.00 C ATOM 995 CG GLN A 83 0.539 13.812 -3.965 1.00 0.00 C ATOM 996 CD GLN A 83 -0.455 14.438 -3.006 1.00 0.00 C ATOM 997 OE1 GLN A 83 -1.429 15.064 -3.424 1.00 0.00 O ATOM 998 NE2 GLN A 83 -0.212 14.272 -1.711 1.00 0.00 N ATOM 0 H GLN A 83 0.000 11.421 -7.247 1.00 0.00 H new ATOM 0 HA GLN A 83 0.805 11.342 -4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.251 13.548 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.202 13.335 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.150 13.088 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.213 14.583 -4.338 1.00 0.00 H new ATOM 0 HE21 GLN A 83 0.608 13.745 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.845 14.671 -1.018 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.367 10.399 -3.627 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.581 9.695 -3.232 1.00 0.00 C ATOM 1009 C VAL A 84 -3.195 10.283 -1.967 1.00 0.00 C ATOM 1010 O VAL A 84 -2.559 11.045 -1.239 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.345 8.183 -2.994 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.466 7.368 -3.610 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -1.004 7.726 -3.541 1.00 0.00 C ATOM 0 H VAL A 84 -0.658 10.470 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.266 9.822 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.335 8.021 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.284 6.308 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.415 7.654 -3.157 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.505 7.556 -4.683 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.879 6.660 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.966 7.912 -4.614 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.203 8.278 -3.049 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.437 9.895 -1.716 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.176 10.333 -0.543 1.00 0.00 C ATOM 1025 C ALA A 85 -5.298 9.181 0.444 1.00 0.00 C ATOM 1026 O ALA A 85 -6.053 8.237 0.214 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.556 10.833 -0.946 1.00 0.00 C ATOM 0 H ALA A 85 -4.962 9.265 -2.323 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.638 11.153 -0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.099 11.158 -0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.452 11.671 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.106 10.028 -1.434 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.540 9.243 1.531 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.564 8.179 2.523 1.00 0.00 C ATOM 1035 C PHE A 86 -5.747 8.320 3.473 1.00 0.00 C ATOM 1036 O PHE A 86 -5.888 9.322 4.173 1.00 0.00 O ATOM 1037 CB PHE A 86 -3.255 8.152 3.312 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.693 6.769 3.459 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.202 6.084 2.357 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -2.667 6.148 4.696 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.697 4.804 2.492 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -2.162 4.870 4.836 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.678 4.197 3.733 1.00 0.00 C ATOM 0 H PHE A 86 -3.906 10.013 1.746 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.677 7.236 1.988 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.522 8.786 2.813 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.424 8.578 4.301 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.214 6.555 1.385 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.046 6.669 5.562 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.318 4.279 1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.146 4.398 5.807 1.00 0.00 H new ATOM 0 HZ PHE A 86 -1.285 3.197 3.840 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.589 7.292 3.488 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.765 7.264 4.345 1.00 0.00 C ATOM 1055 C ASP A 87 -8.100 5.826 4.727 1.00 0.00 C ATOM 1056 O ASP A 87 -9.233 5.373 4.562 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.956 7.914 3.636 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.768 8.797 4.563 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -9.161 9.477 5.417 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -11.010 8.810 4.434 1.00 0.00 O ATOM 0 H ASP A 87 -6.475 6.460 2.909 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.550 7.829 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.596 8.508 2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.599 7.136 3.224 1.00 0.00 H new ATOM 1065 N ARG A 88 -7.094 5.112 5.231 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.254 3.716 5.637 1.00 0.00 C ATOM 1067 C ARG A 88 -8.568 3.497 6.386 1.00 0.00 C ATOM 1068 O ARG A 88 -9.163 2.422 6.314 1.00 0.00 O ATOM 1069 CB ARG A 88 -6.078 3.282 6.514 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.654 4.335 7.529 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.361 5.017 7.117 1.00 0.00 C ATOM 1072 NE ARG A 88 -4.066 6.183 7.947 1.00 0.00 N ATOM 1073 CZ ARG A 88 -3.617 6.108 9.197 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -3.415 4.926 9.768 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.369 7.217 9.880 1.00 0.00 N ATOM 0 H ARG A 88 -6.153 5.481 5.369 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.275 3.109 4.732 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.348 2.368 7.043 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.228 3.042 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.443 5.080 7.633 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.525 3.869 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.538 4.305 7.187 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.430 5.324 6.073 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.213 7.109 7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.604 4.069 9.248 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.071 4.875 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.522 8.128 9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.025 7.159 10.838 1.00 0.00 H new ATOM 1089 N GLY A 89 -9.014 4.524 7.104 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.253 4.423 7.854 1.00 0.00 C ATOM 1091 C GLY A 89 -10.019 4.348 9.353 1.00 0.00 C ATOM 1092 O GLY A 89 -9.455 5.272 9.938 1.00 0.00 O ATOM 0 H GLY A 89 -8.540 5.424 7.180 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.881 5.285 7.630 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.800 3.537 7.530 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.441 3.251 10.010 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.265 3.076 11.447 1.00 0.00 C ATOM 1098 C PRO A 90 -8.936 2.412 11.794 1.00 0.00 C ATOM 1099 O PRO A 90 -8.777 1.847 12.877 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.430 2.159 11.804 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.611 1.295 10.598 1.00 0.00 C ATOM 1102 CD PRO A 90 -11.124 2.092 9.407 1.00 0.00 C ATOM 0 HA PRO A 90 -10.251 4.022 11.988 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.209 1.563 12.689 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.332 2.730 12.022 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -11.046 0.368 10.699 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.658 1.018 10.475 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.445 1.507 8.786 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.951 2.403 8.769 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.986 2.478 10.867 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.673 1.880 11.068 1.00 0.00 C ATOM 1112 C TYR A 91 -5.780 2.784 11.908 1.00 0.00 C ATOM 1113 O TYR A 91 -6.014 3.988 12.011 1.00 0.00 O ATOM 1114 CB TYR A 91 -6.009 1.605 9.718 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.412 0.288 9.096 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.670 -0.258 9.323 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.533 -0.406 8.277 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -8.038 -1.461 8.752 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.893 -1.608 7.702 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.146 -2.132 7.943 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.507 -3.331 7.374 1.00 0.00 O ATOM 0 H TYR A 91 -8.103 2.942 9.966 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.809 0.940 11.603 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.259 2.412 9.030 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.927 1.619 9.847 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.371 0.266 9.956 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.551 0.001 8.086 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.019 -1.873 8.938 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -5.197 -2.136 7.067 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.894 -3.169 6.488 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.753 2.191 12.502 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.813 2.931 13.332 1.00 0.00 C ATOM 1133 C LYS A 92 -2.380 2.587 12.946 1.00 0.00 C ATOM 1134 O LYS A 92 -2.116 1.509 12.413 1.00 0.00 O ATOM 1135 CB LYS A 92 -4.046 2.616 14.810 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.864 1.146 15.154 1.00 0.00 C ATOM 1137 CD LYS A 92 -3.209 0.967 16.514 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.732 1.324 16.474 1.00 0.00 C ATOM 1139 NZ LYS A 92 -0.868 0.112 16.416 1.00 0.00 N ATOM 0 H LYS A 92 -4.550 1.195 12.424 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.975 3.997 13.170 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.358 3.210 15.412 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -5.056 2.923 15.084 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -4.833 0.647 15.148 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.254 0.666 14.389 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.716 1.594 17.248 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -3.326 -0.066 16.842 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.534 1.953 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.476 1.910 17.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.105 0.262 15.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.456 -0.066 17.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -1.439 -0.708 16.128 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.457 3.508 13.216 1.00 0.00 N ATOM 1154 CA TYR A 93 -0.045 3.300 12.897 1.00 0.00 C ATOM 1155 C TYR A 93 0.391 1.888 13.286 1.00 0.00 C ATOM 1156 O TYR A 93 0.485 1.563 14.469 1.00 0.00 O ATOM 1157 CB TYR A 93 0.813 4.338 13.625 1.00 0.00 C ATOM 1158 CG TYR A 93 2.082 4.716 12.892 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.092 4.876 11.511 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.269 4.923 13.584 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.249 5.227 10.842 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.429 5.277 12.922 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.414 5.427 11.552 1.00 0.00 C ATOM 1164 OH TYR A 93 5.568 5.779 10.889 1.00 0.00 O ATOM 0 H TYR A 93 -1.661 4.406 13.655 1.00 0.00 H new ATOM 0 HA TYR A 93 0.091 3.418 11.822 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.218 5.237 13.786 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.077 3.950 14.609 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.181 4.723 10.952 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.285 4.805 14.657 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.241 5.344 9.768 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.343 5.435 13.475 1.00 0.00 H new ATOM 0 HH TYR A 93 6.298 5.883 11.535 1.00 0.00 H new ATOM 1174 N HIS A 94 0.639 1.049 12.283 1.00 0.00 N ATOM 1175 CA HIS A 94 1.046 -0.331 12.529 1.00 0.00 C ATOM 1176 C HIS A 94 2.360 -0.659 11.828 1.00 0.00 C ATOM 1177 O HIS A 94 2.742 -0.003 10.861 1.00 0.00 O ATOM 1178 CB HIS A 94 -0.049 -1.294 12.063 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.357 -2.375 13.053 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.470 -3.458 13.268 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -1.410 -2.537 13.889 1.00 0.00 C ATOM 1182 CE1 HIS A 94 -0.062 -4.239 14.192 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -1.201 -3.702 14.585 1.00 0.00 N ATOM 0 H HIS A 94 0.566 1.299 11.297 1.00 0.00 H new ATOM 0 HA HIS A 94 1.198 -0.448 13.602 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.958 -0.727 11.862 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.257 -1.751 11.122 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.256 -1.874 13.990 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.363 -5.160 14.562 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.826 -4.090 15.292 1.00 0.00 H new ATOM 1192 N GLY A 95 3.045 -1.687 12.328 1.00 0.00 N ATOM 1193 CA GLY A 95 4.317 -2.106 11.755 1.00 0.00 C ATOM 1194 C GLY A 95 4.338 -2.087 10.236 1.00 0.00 C ATOM 1195 O GLY A 95 5.398 -1.938 9.628 1.00 0.00 O ATOM 0 H GLY A 95 2.739 -2.242 13.127 1.00 0.00 H new ATOM 0 HA2 GLY A 95 5.106 -1.454 12.129 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.547 -3.114 12.100 1.00 0.00 H new ATOM 1199 N ARG A 96 3.171 -2.246 9.621 1.00 0.00 N ATOM 1200 CA ARG A 96 3.071 -2.253 8.165 1.00 0.00 C ATOM 1201 C ARG A 96 3.033 -0.830 7.607 1.00 0.00 C ATOM 1202 O ARG A 96 3.966 -0.399 6.932 1.00 0.00 O ATOM 1203 CB ARG A 96 1.825 -3.024 7.715 1.00 0.00 C ATOM 1204 CG ARG A 96 1.505 -4.248 8.566 1.00 0.00 C ATOM 1205 CD ARG A 96 2.123 -5.509 7.986 1.00 0.00 C ATOM 1206 NE ARG A 96 2.741 -6.339 9.016 1.00 0.00 N ATOM 1207 CZ ARG A 96 2.055 -7.003 9.944 1.00 0.00 C ATOM 1208 NH1 ARG A 96 0.729 -6.938 9.972 1.00 0.00 N ATOM 1209 NH2 ARG A 96 2.696 -7.735 10.845 1.00 0.00 N ATOM 0 H ARG A 96 2.283 -2.372 10.106 1.00 0.00 H new ATOM 0 HA ARG A 96 3.958 -2.752 7.774 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.969 -2.350 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.961 -3.340 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.875 -4.094 9.580 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.424 -4.371 8.636 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.355 -6.084 7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.872 -5.237 7.242 1.00 0.00 H new ATOM 0 HE ARG A 96 3.758 -6.415 9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.231 -6.377 9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.208 -7.449 10.685 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.714 -7.789 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 96 2.171 -8.244 11.556 1.00 0.00 H new ATOM 1223 N VAL A 97 1.940 -0.116 7.886 1.00 0.00 N ATOM 1224 CA VAL A 97 1.746 1.259 7.414 1.00 0.00 C ATOM 1225 C VAL A 97 3.057 2.020 7.246 1.00 0.00 C ATOM 1226 O VAL A 97 3.293 2.617 6.205 1.00 0.00 O ATOM 1227 CB VAL A 97 0.824 2.048 8.363 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.666 3.490 7.899 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.525 1.365 8.458 1.00 0.00 C ATOM 0 H VAL A 97 1.165 -0.473 8.445 1.00 0.00 H new ATOM 0 HA VAL A 97 1.280 1.172 6.433 1.00 0.00 H new ATOM 0 HB VAL A 97 1.280 2.067 9.353 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.010 4.024 8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.642 3.975 7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.232 3.505 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -1.172 1.929 9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.981 1.321 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.394 0.354 8.843 1.00 0.00 H new ATOM 1239 N LYS A 98 3.908 2.009 8.264 1.00 0.00 N ATOM 1240 CA LYS A 98 5.179 2.719 8.172 1.00 0.00 C ATOM 1241 C LYS A 98 5.998 2.215 6.982 1.00 0.00 C ATOM 1242 O LYS A 98 6.104 2.885 5.956 1.00 0.00 O ATOM 1243 CB LYS A 98 5.991 2.606 9.467 1.00 0.00 C ATOM 1244 CG LYS A 98 5.989 1.222 10.088 1.00 0.00 C ATOM 1245 CD LYS A 98 5.754 1.287 11.587 1.00 0.00 C ATOM 1246 CE LYS A 98 4.424 1.939 11.910 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.822 1.380 13.151 1.00 0.00 N ATOM 0 H LYS A 98 3.747 1.526 9.148 1.00 0.00 H new ATOM 0 HA LYS A 98 4.949 3.773 8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.021 2.898 9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 98 5.596 3.317 10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.213 0.614 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.941 0.731 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 98 5.779 0.281 12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.560 1.848 12.059 1.00 0.00 H new ATOM 0 HE2 LYS A 98 4.565 3.014 12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.737 1.796 11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.789 1.491 13.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.059 0.370 13.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.197 1.887 13.978 1.00 0.00 H new ATOM 1261 N ALA A 99 6.583 1.026 7.146 1.00 0.00 N ATOM 1262 CA ALA A 99 7.412 0.410 6.116 1.00 0.00 C ATOM 1263 C ALA A 99 6.682 0.289 4.785 1.00 0.00 C ATOM 1264 O ALA A 99 7.277 0.483 3.727 1.00 0.00 O ATOM 1265 CB ALA A 99 7.884 -0.960 6.579 1.00 0.00 C ATOM 0 H ALA A 99 6.494 0.468 7.995 1.00 0.00 H new ATOM 0 HA ALA A 99 8.272 1.060 5.957 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.502 -1.413 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.468 -0.854 7.493 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.020 -1.596 6.772 1.00 0.00 H new ATOM 1271 N LEU A 100 5.393 -0.024 4.833 1.00 0.00 N ATOM 1272 CA LEU A 100 4.601 -0.164 3.629 1.00 0.00 C ATOM 1273 C LEU A 100 4.441 1.176 2.943 1.00 0.00 C ATOM 1274 O LEU A 100 4.606 1.300 1.729 1.00 0.00 O ATOM 1275 CB LEU A 100 3.222 -0.726 3.974 1.00 0.00 C ATOM 1276 CG LEU A 100 2.177 -0.567 2.873 1.00 0.00 C ATOM 1277 CD1 LEU A 100 1.224 -1.750 2.867 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.405 0.740 3.031 1.00 0.00 C ATOM 0 H LEU A 100 4.877 -0.185 5.698 1.00 0.00 H new ATOM 0 HA LEU A 100 5.115 -0.849 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.324 -1.785 4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.859 -0.233 4.876 1.00 0.00 H new ATOM 0 HG LEU A 100 2.699 -0.536 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.486 -1.619 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.785 -2.668 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.716 -1.813 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.668 0.826 2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.898 0.749 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.097 1.580 2.977 1.00 0.00 H new ATOM 1290 N ALA A 101 4.093 2.170 3.737 1.00 0.00 N ATOM 1291 CA ALA A 101 3.872 3.507 3.229 1.00 0.00 C ATOM 1292 C ALA A 101 5.138 4.082 2.611 1.00 0.00 C ATOM 1293 O ALA A 101 5.063 4.824 1.631 1.00 0.00 O ATOM 1294 CB ALA A 101 3.318 4.396 4.324 1.00 0.00 C ATOM 0 H ALA A 101 3.957 2.074 4.743 1.00 0.00 H new ATOM 0 HA ALA A 101 3.131 3.458 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.156 5.399 3.931 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.372 3.988 4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.028 4.441 5.150 1.00 0.00 H new ATOM 1300 N GLU A 102 6.308 3.709 3.137 1.00 0.00 N ATOM 1301 CA GLU A 102 7.548 4.189 2.541 1.00 0.00 C ATOM 1302 C GLU A 102 7.678 3.546 1.178 1.00 0.00 C ATOM 1303 O GLU A 102 7.956 4.215 0.201 1.00 0.00 O ATOM 1304 CB GLU A 102 8.801 3.904 3.386 1.00 0.00 C ATOM 1305 CG GLU A 102 8.530 3.239 4.731 1.00 0.00 C ATOM 1306 CD GLU A 102 9.798 2.995 5.526 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.286 3.946 6.172 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.302 1.853 5.506 1.00 0.00 O ATOM 0 H GLU A 102 6.419 3.098 3.946 1.00 0.00 H new ATOM 0 HA GLU A 102 7.491 5.275 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.472 3.267 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.325 4.844 3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 102 7.855 3.867 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.020 2.290 4.567 1.00 0.00 H new ATOM 1315 N GLY A 103 7.409 2.245 1.108 1.00 0.00 N ATOM 1316 CA GLY A 103 7.448 1.554 -0.169 1.00 0.00 C ATOM 1317 C GLY A 103 6.650 2.305 -1.204 1.00 0.00 C ATOM 1318 O GLY A 103 7.151 2.698 -2.257 1.00 0.00 O ATOM 0 H GLY A 103 7.166 1.660 1.908 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.481 1.452 -0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.049 0.546 -0.055 1.00 0.00 H new ATOM 1322 N ALA A 104 5.375 2.478 -0.871 1.00 0.00 N ATOM 1323 CA ALA A 104 4.426 3.161 -1.725 1.00 0.00 C ATOM 1324 C ALA A 104 4.858 4.596 -2.004 1.00 0.00 C ATOM 1325 O ALA A 104 4.651 5.114 -3.099 1.00 0.00 O ATOM 1326 CB ALA A 104 3.047 3.130 -1.091 1.00 0.00 C ATOM 0 H ALA A 104 4.975 2.144 0.006 1.00 0.00 H new ATOM 0 HA ALA A 104 4.391 2.640 -2.682 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.337 3.645 -1.738 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.731 2.095 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.081 3.627 -0.121 1.00 0.00 H new ATOM 1332 N ARG A 105 5.472 5.242 -1.017 1.00 0.00 N ATOM 1333 CA ARG A 105 5.931 6.617 -1.192 1.00 0.00 C ATOM 1334 C ARG A 105 7.350 6.649 -1.749 1.00 0.00 C ATOM 1335 O ARG A 105 7.721 7.565 -2.484 1.00 0.00 O ATOM 1336 CB ARG A 105 5.850 7.392 0.128 1.00 0.00 C ATOM 1337 CG ARG A 105 6.474 8.779 0.070 1.00 0.00 C ATOM 1338 CD ARG A 105 5.437 9.870 0.293 1.00 0.00 C ATOM 1339 NE ARG A 105 5.484 10.402 1.653 1.00 0.00 N ATOM 1340 CZ ARG A 105 4.899 11.539 2.024 1.00 0.00 C ATOM 1341 NH1 ARG A 105 4.225 12.265 1.142 1.00 0.00 N ATOM 1342 NH2 ARG A 105 4.990 11.951 3.281 1.00 0.00 N ATOM 0 H ARG A 105 5.662 4.842 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 105 5.272 7.102 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 105 4.804 7.487 0.418 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.346 6.814 0.908 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.255 8.859 0.826 1.00 0.00 H new ATOM 0 HG3 ARG A 105 6.952 8.923 -0.899 1.00 0.00 H new ATOM 0 HD2 ARG A 105 5.604 10.679 -0.418 1.00 0.00 H new ATOM 0 HD3 ARG A 105 4.442 9.471 0.094 1.00 0.00 H new ATOM 0 HE ARG A 105 5.995 9.872 2.359 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.153 11.953 0.174 1.00 0.00 H new ATOM 0 HH12 ARG A 105 3.779 13.135 1.432 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.508 11.397 3.963 1.00 0.00 H new ATOM 0 HH22 ARG A 105 4.542 12.822 3.566 1.00 0.00 H new ATOM 1356 N GLU A 106 8.131 5.636 -1.408 1.00 0.00 N ATOM 1357 CA GLU A 106 9.499 5.530 -1.882 1.00 0.00 C ATOM 1358 C GLU A 106 9.469 5.167 -3.363 1.00 0.00 C ATOM 1359 O GLU A 106 10.308 5.610 -4.148 1.00 0.00 O ATOM 1360 CB GLU A 106 10.265 4.465 -1.071 1.00 0.00 C ATOM 1361 CG GLU A 106 10.216 3.066 -1.667 1.00 0.00 C ATOM 1362 CD GLU A 106 11.168 2.106 -0.983 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.921 2.550 -0.089 1.00 0.00 O ATOM 1364 OE2 GLU A 106 11.166 0.910 -1.344 1.00 0.00 O ATOM 0 H GLU A 106 7.837 4.871 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 106 10.016 6.480 -1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.307 4.773 -0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.856 4.431 -0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.200 2.679 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.460 3.119 -2.728 1.00 0.00 H new ATOM 1371 N GLY A 107 8.472 4.358 -3.729 1.00 0.00 N ATOM 1372 CA GLY A 107 8.312 3.943 -5.106 1.00 0.00 C ATOM 1373 C GLY A 107 7.854 5.092 -5.993 1.00 0.00 C ATOM 1374 O GLY A 107 8.423 5.312 -7.062 1.00 0.00 O ATOM 0 H GLY A 107 7.772 3.984 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.258 3.550 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.586 3.131 -5.159 1.00 0.00 H new ATOM 1378 N GLY A 108 6.838 5.845 -5.547 1.00 0.00 N ATOM 1379 CA GLY A 108 6.363 6.974 -6.339 1.00 0.00 C ATOM 1380 C GLY A 108 5.161 7.707 -5.750 1.00 0.00 C ATOM 1381 O GLY A 108 4.979 8.898 -6.005 1.00 0.00 O ATOM 0 H GLY A 108 6.345 5.695 -4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.181 7.685 -6.460 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.101 6.617 -7.335 1.00 0.00 H new ATOM 1385 N LEU A 109 4.320 7.001 -4.999 1.00 0.00 N ATOM 1386 CA LEU A 109 3.116 7.596 -4.424 1.00 0.00 C ATOM 1387 C LEU A 109 3.410 8.569 -3.290 1.00 0.00 C ATOM 1388 O LEU A 109 4.336 8.385 -2.509 1.00 0.00 O ATOM 1389 CB LEU A 109 2.194 6.491 -3.921 1.00 0.00 C ATOM 1390 CG LEU A 109 1.514 5.702 -5.026 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.547 5.099 -5.955 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.607 4.627 -4.446 1.00 0.00 C ATOM 0 H LEU A 109 4.450 6.015 -4.774 1.00 0.00 H new ATOM 0 HA LEU A 109 2.636 8.170 -5.217 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.771 5.805 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.430 6.933 -3.281 1.00 0.00 H new ATOM 0 HG LEU A 109 0.891 6.385 -5.604 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.044 4.536 -6.742 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.143 5.895 -6.402 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.198 4.431 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.131 4.076 -5.257 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.198 3.941 -3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.159 5.093 -3.826 1.00 0.00 H new ATOM 1404 N GLU A 110 2.589 9.605 -3.210 1.00 0.00 N ATOM 1405 CA GLU A 110 2.721 10.617 -2.169 1.00 0.00 C ATOM 1406 C GLU A 110 1.387 10.821 -1.457 1.00 0.00 C ATOM 1407 O GLU A 110 0.550 11.609 -1.893 1.00 0.00 O ATOM 1408 CB GLU A 110 3.223 11.933 -2.761 1.00 0.00 C ATOM 1409 CG GLU A 110 4.739 12.031 -2.790 1.00 0.00 C ATOM 1410 CD GLU A 110 5.289 12.187 -4.194 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.176 11.227 -4.986 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.833 13.268 -4.502 1.00 0.00 O ATOM 0 H GLU A 110 1.818 9.769 -3.858 1.00 0.00 H new ATOM 0 HA GLU A 110 3.453 10.271 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 110 2.838 12.039 -3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 110 2.822 12.763 -2.179 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.056 12.880 -2.184 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.165 11.137 -2.334 1.00 0.00 H new ATOM 1419 N PHE A 111 1.192 10.089 -0.368 1.00 0.00 N ATOM 1420 CA PHE A 111 -0.046 10.167 0.402 1.00 0.00 C ATOM 1421 C PHE A 111 0.226 10.633 1.828 1.00 0.00 C ATOM 1422 O PHE A 111 -0.682 10.502 2.676 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.729 8.797 0.416 1.00 0.00 C ATOM 1424 CG PHE A 111 0.247 7.662 0.491 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.941 7.263 -0.636 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.487 7.012 1.689 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.856 6.235 -0.572 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.404 5.984 1.761 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.090 5.595 0.628 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.345 11.124 2.086 1.00 0.00 O ATOM 0 H PHE A 111 1.877 9.432 0.004 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.704 10.896 -0.071 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.408 8.743 1.267 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.336 8.689 -0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.764 7.763 -1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.049 7.313 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.390 5.930 -1.460 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.585 5.485 2.701 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.809 4.791 0.681 1.00 0.00 H new