USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 493 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 103 CYS SG : rot 131:sc= -1.07! USER MOD Set 1.2: A 105 ASN : amide:sc= -7.95! K(o=-8.1!,f=1.7) USER MOD Set 1.3: A 106 CYS SG : rot 65:sc= 0.584 USER MOD Set 1.4: A 108 LYS NZ :NH3+ -151:sc= -1.33! (180deg=-4.07!) USER MOD Set 1.5: A 136 CYS SG : rot -116:sc= 2.01 USER MOD Set 1.6: A 138 SER OG : rot 99:sc= 0.367 USER MOD Set 1.7: A 139 CYS SG : rot 96:sc= -0.764! USER MOD Set 2.1: A 87 THR OG1 : rot 180:sc= -0.0565 USER MOD Set 2.2: A 90 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.93) USER MOD Set 3.1: A 81 TYR OH : rot 30:sc= -0.149 USER MOD Set 3.2: A 91 GLN : amide:sc= -2.04 K(o=-2.2,f=-1.6) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 105:sc= 0 USER MOD Single : A 92 TYR OH : rot -39:sc= -1.72! USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0.0254 USER MOD Single : A 107 GLN : amide:sc= -0.681 K(o=-0.68,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= 1.23 (180deg=0.749) USER MOD Single : A 116 GLN : amide:sc= -8.25! K(o=-8.3!,f=-1.6) USER MOD Single : A 118 HIS : no HD1:sc= -3.33! C(o=-3.3!,f=-7.6!) USER MOD Single : A 121 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00875) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -1.42! K(o=-1.4!,f=-0.022) USER MOD Single : A 126 HIS : no HD1:sc= -2.26 K(o=-2.3,f=-0.39) USER MOD Single : A 127 ASN : amide:sc= -4.99! K(o=-5!,f=-1.4) USER MOD Single : A 133 THR OG1 : rot 40:sc= -5.79! USER MOD Single : A 137 MET CE :methyl -166:sc= -1.62 (180deg=-1.71!) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 81 53.673 4.619 -6.622 1.00 0.00 N ATOM 49 CA TYR A 81 54.072 5.995 -6.427 1.00 0.00 C ATOM 50 C TYR A 81 55.185 5.996 -5.429 1.00 0.00 C ATOM 51 O TYR A 81 55.492 4.954 -4.863 1.00 0.00 O ATOM 52 CB TYR A 81 52.891 6.824 -5.864 1.00 0.00 C ATOM 53 CG TYR A 81 52.151 6.135 -4.711 1.00 0.00 C ATOM 54 CD1 TYR A 81 51.170 5.226 -4.999 1.00 0.00 C ATOM 55 CD2 TYR A 81 52.439 6.376 -3.367 1.00 0.00 C ATOM 56 CE1 TYR A 81 50.485 4.562 -4.050 1.00 0.00 C ATOM 57 CE2 TYR A 81 51.740 5.700 -2.373 1.00 0.00 C ATOM 58 CZ TYR A 81 50.758 4.787 -2.739 1.00 0.00 C ATOM 59 OH TYR A 81 50.043 4.111 -1.795 1.00 0.00 O ATOM 0 HA TYR A 81 54.383 6.435 -7.375 1.00 0.00 H new ATOM 0 HB2 TYR A 81 53.266 7.788 -5.519 1.00 0.00 H new ATOM 0 HB3 TYR A 81 52.184 7.027 -6.669 1.00 0.00 H new ATOM 0 HD1 TYR A 81 50.935 5.033 -6.035 1.00 0.00 H new ATOM 0 HD2 TYR A 81 53.205 7.088 -3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 81 49.721 3.852 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 81 51.957 5.882 -1.331 1.00 0.00 H new ATOM 0 HH TYR A 81 49.770 3.241 -2.153 1.00 0.00 H new ATOM 69 N SER A 82 55.779 7.120 -5.206 1.00 0.00 N ATOM 70 CA SER A 82 56.788 7.236 -4.198 1.00 0.00 C ATOM 71 C SER A 82 56.125 7.771 -2.916 1.00 0.00 C ATOM 72 O SER A 82 55.069 8.409 -3.005 1.00 0.00 O ATOM 73 CB SER A 82 57.893 8.171 -4.685 1.00 0.00 C ATOM 74 OG SER A 82 58.419 7.718 -5.935 1.00 0.00 O ATOM 0 H SER A 82 55.583 7.983 -5.713 1.00 0.00 H new ATOM 0 HA SER A 82 57.242 6.268 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.500 9.182 -4.794 1.00 0.00 H new ATOM 0 HB3 SER A 82 58.691 8.218 -3.944 1.00 0.00 H new ATOM 0 HG SER A 82 59.125 8.329 -6.234 1.00 0.00 H new ATOM 80 N LEU A 83 56.706 7.526 -1.752 1.00 0.00 N ATOM 81 CA LEU A 83 56.070 7.951 -0.504 1.00 0.00 C ATOM 82 C LEU A 83 57.099 8.045 0.620 1.00 0.00 C ATOM 83 O LEU A 83 58.268 7.641 0.455 1.00 0.00 O ATOM 84 CB LEU A 83 54.997 6.908 -0.092 1.00 0.00 C ATOM 85 CG LEU A 83 54.008 7.306 1.025 1.00 0.00 C ATOM 86 CD1 LEU A 83 53.021 8.348 0.558 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.312 6.099 1.574 1.00 0.00 C ATOM 0 H LEU A 83 57.599 7.045 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 83 55.617 8.929 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.417 6.653 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.513 6.001 0.223 1.00 0.00 H new ATOM 0 HG LEU A 83 54.586 7.758 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 83 52.344 8.599 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 83 53.558 9.243 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 83 52.447 7.955 -0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.620 6.404 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.759 5.603 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 83 54.049 5.410 1.987 1.00 0.00 H new ATOM 99 N TYR A 84 56.662 8.610 1.728 1.00 0.00 N ATOM 100 CA TYR A 84 57.371 8.599 2.979 1.00 0.00 C ATOM 101 C TYR A 84 57.197 7.260 3.572 1.00 0.00 C ATOM 102 O TYR A 84 56.073 6.808 3.770 1.00 0.00 O ATOM 103 CB TYR A 84 56.783 9.646 3.911 1.00 0.00 C ATOM 104 CG TYR A 84 57.673 10.821 4.161 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.512 11.290 3.183 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.698 11.439 5.396 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.350 12.347 3.422 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.536 12.505 5.646 1.00 0.00 C ATOM 109 CZ TYR A 84 59.362 12.951 4.649 1.00 0.00 C ATOM 110 OH TYR A 84 60.203 14.026 4.869 1.00 0.00 O ATOM 0 H TYR A 84 55.772 9.105 1.777 1.00 0.00 H new ATOM 0 HA TYR A 84 58.427 8.823 2.825 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.842 10.001 3.491 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.548 9.174 4.865 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.512 10.820 2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.049 11.080 6.181 1.00 0.00 H new ATOM 0 HE1 TYR A 84 60.003 12.704 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 84 58.541 12.982 6.615 1.00 0.00 H new ATOM 0 HH TYR A 84 60.093 14.344 5.789 1.00 0.00 H new ATOM 120 N GLY A 85 58.294 6.607 3.823 1.00 0.00 N ATOM 121 CA GLY A 85 58.246 5.302 4.352 1.00 0.00 C ATOM 122 C GLY A 85 57.528 5.173 5.607 1.00 0.00 C ATOM 123 O GLY A 85 56.775 4.227 5.797 1.00 0.00 O ATOM 0 H GLY A 85 59.233 6.972 3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 85 57.782 4.645 3.616 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.266 4.947 4.497 1.00 0.00 H new ATOM 127 N THR A 86 57.779 6.098 6.448 1.00 0.00 N ATOM 128 CA THR A 86 57.219 6.212 7.782 1.00 0.00 C ATOM 129 C THR A 86 55.672 5.898 7.838 1.00 0.00 C ATOM 130 O THR A 86 55.174 5.403 8.855 1.00 0.00 O ATOM 131 CB THR A 86 57.534 7.634 8.338 1.00 0.00 C ATOM 132 OG1 THR A 86 57.120 7.783 9.694 1.00 0.00 O ATOM 133 CG2 THR A 86 56.876 8.686 7.493 1.00 0.00 C ATOM 0 H THR A 86 58.422 6.859 6.231 1.00 0.00 H new ATOM 0 HA THR A 86 57.686 5.454 8.411 1.00 0.00 H new ATOM 0 HB THR A 86 58.616 7.758 8.301 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.904 7.753 10.281 1.00 0.00 H new ATOM 0 HG21 THR A 86 57.106 9.672 7.895 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.247 8.616 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.797 8.535 7.499 1.00 0.00 H new ATOM 141 N THR A 87 54.934 6.141 6.745 1.00 0.00 N ATOM 142 CA THR A 87 53.515 5.877 6.727 1.00 0.00 C ATOM 143 C THR A 87 53.149 4.477 6.161 1.00 0.00 C ATOM 144 O THR A 87 52.036 4.049 6.303 1.00 0.00 O ATOM 145 CB THR A 87 52.751 6.968 5.965 1.00 0.00 C ATOM 146 OG1 THR A 87 53.285 7.106 4.660 1.00 0.00 O ATOM 147 CG2 THR A 87 52.847 8.295 6.670 1.00 0.00 C ATOM 0 H THR A 87 55.307 6.518 5.874 1.00 0.00 H new ATOM 0 HA THR A 87 53.207 5.886 7.773 1.00 0.00 H new ATOM 0 HB THR A 87 51.704 6.669 5.916 1.00 0.00 H new ATOM 0 HG1 THR A 87 52.793 7.803 4.177 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.296 9.047 6.106 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.422 8.207 7.670 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.893 8.592 6.745 1.00 0.00 H new ATOM 155 N LEU A 88 54.099 3.771 5.538 1.00 0.00 N ATOM 156 CA LEU A 88 53.860 2.430 4.873 1.00 0.00 C ATOM 157 C LEU A 88 53.130 1.396 5.701 1.00 0.00 C ATOM 158 O LEU A 88 52.500 0.489 5.149 1.00 0.00 O ATOM 159 CB LEU A 88 55.155 1.840 4.400 1.00 0.00 C ATOM 160 CG LEU A 88 55.503 2.040 2.953 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.665 1.141 2.098 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.259 3.460 2.568 1.00 0.00 C ATOM 0 H LEU A 88 55.065 4.090 5.466 1.00 0.00 H new ATOM 0 HA LEU A 88 53.194 2.668 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.960 2.259 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.133 0.769 4.599 1.00 0.00 H new ATOM 0 HG LEU A 88 56.556 1.799 2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.923 1.292 1.050 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.850 0.102 2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.611 1.374 2.249 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.513 3.601 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.208 3.704 2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.878 4.115 3.182 1.00 0.00 H new ATOM 174 N GLU A 89 53.184 1.534 6.994 1.00 0.00 N ATOM 175 CA GLU A 89 52.492 0.635 7.896 1.00 0.00 C ATOM 176 C GLU A 89 50.958 0.763 7.715 1.00 0.00 C ATOM 177 O GLU A 89 50.196 -0.142 8.052 1.00 0.00 O ATOM 178 CB GLU A 89 52.927 0.937 9.323 1.00 0.00 C ATOM 179 CG GLU A 89 54.424 0.710 9.558 1.00 0.00 C ATOM 180 CD GLU A 89 54.837 1.042 10.956 1.00 0.00 C ATOM 181 OE1 GLU A 89 54.789 0.154 11.826 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.223 2.188 11.215 1.00 0.00 O ATOM 0 H GLU A 89 53.709 2.273 7.462 1.00 0.00 H new ATOM 0 HA GLU A 89 52.752 -0.399 7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.681 1.972 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.359 0.310 10.010 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.669 -0.331 9.347 1.00 0.00 H new ATOM 0 HG3 GLU A 89 54.996 1.320 8.858 1.00 0.00 H new ATOM 189 N GLN A 90 50.563 1.878 7.137 1.00 0.00 N ATOM 190 CA GLN A 90 49.186 2.228 6.813 1.00 0.00 C ATOM 191 C GLN A 90 48.816 1.670 5.438 1.00 0.00 C ATOM 192 O GLN A 90 47.660 1.384 5.146 1.00 0.00 O ATOM 193 CB GLN A 90 49.140 3.780 6.763 1.00 0.00 C ATOM 194 CG GLN A 90 48.648 4.411 5.439 1.00 0.00 C ATOM 195 CD GLN A 90 49.401 5.686 5.050 1.00 0.00 C ATOM 196 OE1 GLN A 90 49.020 6.789 5.436 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.482 5.541 4.286 1.00 0.00 N ATOM 0 H GLN A 90 51.224 2.606 6.864 1.00 0.00 H new ATOM 0 HA GLN A 90 48.490 1.821 7.546 1.00 0.00 H new ATOM 0 HB2 GLN A 90 48.494 4.129 7.569 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.141 4.158 6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 90 48.751 3.680 4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 90 47.586 4.639 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.771 4.611 3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 90 51.021 6.360 4.004 1.00 0.00 H new ATOM 206 N GLN A 91 49.820 1.485 4.634 1.00 0.00 N ATOM 207 CA GLN A 91 49.627 1.271 3.224 1.00 0.00 C ATOM 208 C GLN A 91 49.210 -0.145 2.833 1.00 0.00 C ATOM 209 O GLN A 91 48.114 -0.352 2.327 1.00 0.00 O ATOM 210 CB GLN A 91 50.884 1.669 2.456 1.00 0.00 C ATOM 211 CG GLN A 91 50.588 2.128 1.058 1.00 0.00 C ATOM 212 CD GLN A 91 49.748 3.381 1.090 1.00 0.00 C ATOM 213 OE1 GLN A 91 48.526 3.323 1.118 1.00 0.00 O ATOM 214 NE2 GLN A 91 50.387 4.515 1.077 1.00 0.00 N ATOM 0 H GLN A 91 50.795 1.477 4.932 1.00 0.00 H new ATOM 0 HA GLN A 91 48.785 1.908 2.953 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.397 2.466 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.566 0.820 2.418 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.519 2.319 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 91 50.064 1.343 0.513 1.00 0.00 H new ATOM 0 HE21 GLN A 91 51.407 4.526 1.054 1.00 0.00 H new ATOM 0 HE22 GLN A 91 49.868 5.393 1.090 1.00 0.00 H new ATOM 223 N TYR A 92 50.069 -1.105 3.081 1.00 0.00 N ATOM 224 CA TYR A 92 49.892 -2.441 2.509 1.00 0.00 C ATOM 225 C TYR A 92 49.210 -3.436 3.372 1.00 0.00 C ATOM 226 O TYR A 92 49.164 -4.633 3.034 1.00 0.00 O ATOM 227 CB TYR A 92 51.208 -2.972 2.066 1.00 0.00 C ATOM 228 CG TYR A 92 51.674 -2.251 0.857 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.974 -2.344 -0.335 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.753 -1.418 0.917 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.346 -1.612 -1.430 1.00 0.00 C ATOM 232 CE2 TYR A 92 53.148 -0.695 -0.172 1.00 0.00 C ATOM 233 CZ TYR A 92 52.435 -0.787 -1.345 1.00 0.00 C ATOM 234 OH TYR A 92 52.790 -0.036 -2.423 1.00 0.00 O ATOM 0 H TYR A 92 50.895 -0.999 3.669 1.00 0.00 H new ATOM 0 HA TYR A 92 49.212 -2.297 1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.940 -2.864 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 92 51.125 -4.038 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 92 50.122 -3.004 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.304 -1.329 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.787 -1.684 -2.351 1.00 0.00 H new ATOM 0 HE2 TYR A 92 54.015 -0.054 -0.113 1.00 0.00 H new ATOM 0 HH TYR A 92 52.667 -0.560 -3.242 1.00 0.00 H new ATOM 244 N ASN A 93 48.708 -2.955 4.481 1.00 0.00 N ATOM 245 CA ASN A 93 48.018 -3.780 5.542 1.00 0.00 C ATOM 246 C ASN A 93 49.058 -4.630 6.220 1.00 0.00 C ATOM 247 O ASN A 93 48.772 -5.521 7.011 1.00 0.00 O ATOM 248 CB ASN A 93 46.939 -4.713 4.950 1.00 0.00 C ATOM 249 CG ASN A 93 45.833 -3.992 4.204 1.00 0.00 C ATOM 250 OD1 ASN A 93 45.941 -3.741 3.007 1.00 0.00 O ATOM 251 ND2 ASN A 93 44.762 -3.688 4.879 1.00 0.00 N ATOM 0 H ASN A 93 48.748 -1.963 4.713 1.00 0.00 H new ATOM 0 HA ASN A 93 47.527 -3.099 6.237 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.418 -5.419 4.272 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.497 -5.296 5.758 1.00 0.00 H new ATOM 0 HD21 ASN A 93 43.980 -3.227 4.414 1.00 0.00 H new ATOM 0 HD22 ASN A 93 44.705 -3.911 5.873 1.00 0.00 H new ATOM 258 N LYS A 94 50.254 -4.314 5.887 1.00 0.00 N ATOM 259 CA LYS A 94 51.407 -4.979 6.253 1.00 0.00 C ATOM 260 C LYS A 94 52.491 -3.929 6.310 1.00 0.00 C ATOM 261 O LYS A 94 52.643 -3.146 5.361 1.00 0.00 O ATOM 262 CB LYS A 94 51.715 -6.040 5.184 1.00 0.00 C ATOM 263 CG LYS A 94 53.035 -6.681 5.369 1.00 0.00 C ATOM 264 CD LYS A 94 53.215 -7.949 4.554 1.00 0.00 C ATOM 265 CE LYS A 94 53.279 -7.700 3.086 1.00 0.00 C ATOM 266 NZ LYS A 94 53.303 -8.949 2.303 1.00 0.00 N ATOM 0 H LYS A 94 50.447 -3.505 5.296 1.00 0.00 H new ATOM 0 HA LYS A 94 51.321 -5.486 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.939 -6.806 5.206 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.677 -5.576 4.198 1.00 0.00 H new ATOM 0 HG2 LYS A 94 53.816 -5.971 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.171 -6.915 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 94 54.130 -8.450 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.390 -8.629 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.419 -7.102 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.170 -7.115 2.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 53.348 -8.722 1.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.137 -9.510 2.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 52.441 -9.497 2.497 1.00 0.00 H new ATOM 280 N PRO A 95 53.200 -3.832 7.425 1.00 0.00 N ATOM 281 CA PRO A 95 54.249 -2.847 7.593 1.00 0.00 C ATOM 282 C PRO A 95 55.542 -3.297 6.955 1.00 0.00 C ATOM 283 O PRO A 95 55.663 -4.434 6.544 1.00 0.00 O ATOM 284 CB PRO A 95 54.430 -2.799 9.108 1.00 0.00 C ATOM 285 CG PRO A 95 54.130 -4.190 9.554 1.00 0.00 C ATOM 286 CD PRO A 95 53.039 -4.682 8.633 1.00 0.00 C ATOM 0 HA PRO A 95 53.996 -1.891 7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.443 -2.503 9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.754 -2.078 9.568 1.00 0.00 H new ATOM 0 HG2 PRO A 95 55.015 -4.823 9.488 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.803 -4.207 10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.157 -5.740 8.399 1.00 0.00 H new ATOM 0 HD3 PRO A 95 52.052 -4.563 9.080 1.00 0.00 H new ATOM 294 N LEU A 96 56.508 -2.402 6.925 1.00 0.00 N ATOM 295 CA LEU A 96 57.868 -2.676 6.455 1.00 0.00 C ATOM 296 C LEU A 96 58.426 -3.882 7.097 1.00 0.00 C ATOM 297 O LEU A 96 58.954 -4.721 6.433 1.00 0.00 O ATOM 298 CB LEU A 96 58.740 -1.498 6.757 1.00 0.00 C ATOM 299 CG LEU A 96 58.552 -0.338 5.841 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.492 0.539 6.317 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.821 0.386 5.621 1.00 0.00 C ATOM 0 H LEU A 96 56.375 -1.438 7.232 1.00 0.00 H new ATOM 0 HA LEU A 96 57.832 -2.852 5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.547 -1.172 7.779 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.783 -1.813 6.714 1.00 0.00 H new ATOM 0 HG LEU A 96 58.238 -0.722 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.377 1.377 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.556 -0.017 6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.748 0.915 7.307 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.649 1.226 4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.199 0.756 6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.553 -0.289 5.178 1.00 0.00 H new ATOM 313 N SER A 97 58.212 -4.008 8.371 1.00 0.00 N ATOM 314 CA SER A 97 58.695 -5.108 9.157 1.00 0.00 C ATOM 315 C SER A 97 58.214 -6.478 8.609 1.00 0.00 C ATOM 316 O SER A 97 58.806 -7.516 8.891 1.00 0.00 O ATOM 317 CB SER A 97 58.210 -4.874 10.568 1.00 0.00 C ATOM 318 OG SER A 97 58.519 -3.535 10.936 1.00 0.00 O ATOM 0 H SER A 97 57.679 -3.327 8.912 1.00 0.00 H new ATOM 0 HA SER A 97 59.783 -5.151 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 97 57.136 -5.046 10.633 1.00 0.00 H new ATOM 0 HB3 SER A 97 58.687 -5.575 11.253 1.00 0.00 H new ATOM 0 HG SER A 97 58.208 -3.367 11.850 1.00 0.00 H new ATOM 324 N ASP A 98 57.161 -6.466 7.813 1.00 0.00 N ATOM 325 CA ASP A 98 56.645 -7.687 7.262 1.00 0.00 C ATOM 326 C ASP A 98 56.611 -7.660 5.748 1.00 0.00 C ATOM 327 O ASP A 98 56.430 -8.695 5.103 1.00 0.00 O ATOM 328 CB ASP A 98 55.283 -7.945 7.822 1.00 0.00 C ATOM 329 CG ASP A 98 54.838 -9.386 7.661 1.00 0.00 C ATOM 330 OD1 ASP A 98 55.634 -10.301 7.981 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.673 -9.636 7.288 1.00 0.00 O ATOM 0 H ASP A 98 56.654 -5.624 7.540 1.00 0.00 H new ATOM 0 HA ASP A 98 57.315 -8.499 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 98 55.276 -7.685 8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.564 -7.291 7.329 1.00 0.00 H new ATOM 336 N LEU A 99 56.825 -6.508 5.176 1.00 0.00 N ATOM 337 CA LEU A 99 56.705 -6.358 3.762 1.00 0.00 C ATOM 338 C LEU A 99 58.057 -6.631 3.143 1.00 0.00 C ATOM 339 O LEU A 99 59.076 -6.156 3.676 1.00 0.00 O ATOM 340 CB LEU A 99 56.237 -4.923 3.471 1.00 0.00 C ATOM 341 CG LEU A 99 56.055 -4.476 2.003 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.771 -4.989 1.440 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.120 -2.983 1.876 1.00 0.00 C ATOM 0 H LEU A 99 57.085 -5.657 5.675 1.00 0.00 H new ATOM 0 HA LEU A 99 55.980 -7.055 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.284 -4.779 3.979 1.00 0.00 H new ATOM 0 HB3 LEU A 99 56.952 -4.244 3.935 1.00 0.00 H new ATOM 0 HG LEU A 99 56.877 -4.903 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.669 -4.659 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.768 -6.078 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.937 -4.605 2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.989 -2.701 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.330 -2.532 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 99 57.089 -2.630 2.228 1.00 0.00 H new ATOM 355 N LEU A 100 58.102 -7.438 2.078 1.00 0.00 N ATOM 356 CA LEU A 100 59.357 -7.663 1.420 1.00 0.00 C ATOM 357 C LEU A 100 59.714 -6.377 0.754 1.00 0.00 C ATOM 358 O LEU A 100 59.000 -5.857 -0.092 1.00 0.00 O ATOM 359 CB LEU A 100 59.313 -8.786 0.412 1.00 0.00 C ATOM 360 CG LEU A 100 60.658 -9.570 0.170 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.509 -10.547 -0.961 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.847 -8.656 -0.113 1.00 0.00 C ATOM 0 H LEU A 100 57.301 -7.925 1.676 1.00 0.00 H new ATOM 0 HA LEU A 100 60.101 -7.971 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.555 -9.501 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 100 58.982 -8.375 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 100 60.864 -10.099 1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.450 -11.077 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.723 -11.263 -0.722 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.246 -10.011 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.741 -9.260 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.647 -8.065 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.004 -7.990 0.735 1.00 0.00 H new ATOM 374 N ILE A 101 60.764 -5.867 1.163 1.00 0.00 N ATOM 375 CA ILE A 101 61.175 -4.604 0.801 1.00 0.00 C ATOM 376 C ILE A 101 62.615 -4.670 0.351 1.00 0.00 C ATOM 377 O ILE A 101 63.397 -5.387 0.946 1.00 0.00 O ATOM 378 CB ILE A 101 60.968 -3.776 2.050 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.738 -2.923 1.878 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.198 -2.963 2.441 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.214 -2.306 3.091 1.00 0.00 C ATOM 0 H ILE A 101 61.405 -6.341 1.799 1.00 0.00 H new ATOM 0 HA ILE A 101 60.628 -4.167 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 101 60.812 -4.454 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.965 -2.134 1.161 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.952 -3.537 1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.984 -2.392 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 101 63.035 -3.636 2.627 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.455 -2.280 1.632 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.330 -1.717 2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.946 -3.082 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.974 -1.657 3.527 1.00 0.00 H new ATOM 393 N ARG A 102 62.970 -3.969 -0.707 1.00 0.00 N ATOM 394 CA ARG A 102 64.328 -4.066 -1.233 1.00 0.00 C ATOM 395 C ARG A 102 64.822 -2.750 -1.724 1.00 0.00 C ATOM 396 O ARG A 102 64.046 -1.868 -1.994 1.00 0.00 O ATOM 397 CB ARG A 102 64.406 -5.066 -2.394 1.00 0.00 C ATOM 398 CG ARG A 102 63.974 -6.479 -2.085 1.00 0.00 C ATOM 399 CD ARG A 102 63.742 -7.286 -3.347 1.00 0.00 C ATOM 400 NE ARG A 102 63.386 -8.679 -3.074 1.00 0.00 N ATOM 401 CZ ARG A 102 62.890 -9.530 -3.993 1.00 0.00 C ATOM 402 NH1 ARG A 102 62.651 -9.111 -5.226 1.00 0.00 N ATOM 403 NH2 ARG A 102 62.637 -10.790 -3.670 1.00 0.00 N ATOM 0 H ARG A 102 62.354 -3.335 -1.216 1.00 0.00 H new ATOM 0 HA ARG A 102 64.952 -4.406 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.791 -4.691 -3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.434 -5.093 -2.755 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.735 -6.967 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.059 -6.458 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.947 -6.820 -3.929 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.643 -7.260 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 102 63.522 -9.029 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 102 62.842 -8.142 -5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 102 62.275 -9.757 -5.920 1.00 0.00 H new ATOM 0 HH21 ARG A 102 62.818 -11.120 -2.722 1.00 0.00 H new ATOM 0 HH22 ARG A 102 62.261 -11.430 -4.370 1.00 0.00 H new ATOM 417 N CYS A 103 66.141 -2.628 -1.797 1.00 0.00 N ATOM 418 CA CYS A 103 66.779 -1.508 -2.380 1.00 0.00 C ATOM 419 C CYS A 103 66.262 -1.314 -3.839 1.00 0.00 C ATOM 420 O CYS A 103 65.827 -2.279 -4.480 1.00 0.00 O ATOM 421 CB CYS A 103 68.254 -1.748 -2.442 1.00 0.00 C ATOM 422 SG CYS A 103 69.157 -0.179 -2.598 1.00 0.00 S ATOM 0 H CYS A 103 66.789 -3.330 -1.439 1.00 0.00 H new ATOM 0 HA CYS A 103 66.562 -0.626 -1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.580 -2.272 -1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.487 -2.393 -3.290 1.00 0.00 H new ATOM 0 HG CYS A 103 70.124 -0.146 -1.729 1.00 0.00 H new ATOM 427 N ILE A 104 66.350 -0.123 -4.367 1.00 0.00 N ATOM 428 CA ILE A 104 65.827 0.146 -5.683 1.00 0.00 C ATOM 429 C ILE A 104 66.842 -0.134 -6.748 1.00 0.00 C ATOM 430 O ILE A 104 66.530 -0.603 -7.843 1.00 0.00 O ATOM 431 CB ILE A 104 65.229 1.575 -5.788 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.371 1.677 -7.011 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.302 2.630 -5.849 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.408 2.783 -6.922 1.00 0.00 C ATOM 0 H ILE A 104 66.780 0.679 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 104 65.000 -0.544 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 104 64.633 1.747 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 104 65.005 1.819 -7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.833 0.740 -7.155 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.840 3.615 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.912 2.581 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.931 2.459 -6.722 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.808 2.817 -7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.755 2.629 -6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.945 3.724 -6.806 1.00 0.00 H new ATOM 446 N ASN A 105 68.052 0.098 -6.387 1.00 0.00 N ATOM 447 CA ASN A 105 69.190 -0.114 -7.231 1.00 0.00 C ATOM 448 C ASN A 105 69.774 -1.455 -6.931 1.00 0.00 C ATOM 449 O ASN A 105 70.310 -2.111 -7.817 1.00 0.00 O ATOM 450 CB ASN A 105 70.263 0.953 -6.965 1.00 0.00 C ATOM 451 CG ASN A 105 69.880 1.879 -5.945 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.395 2.964 -6.171 1.00 0.00 O ATOM 453 ND2 ASN A 105 70.017 1.406 -4.815 1.00 0.00 N ATOM 0 H ASN A 105 68.295 0.454 -5.463 1.00 0.00 H new ATOM 0 HA ASN A 105 68.871 -0.054 -8.272 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.192 0.463 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.464 1.498 -7.887 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.713 1.937 -3.999 1.00 0.00 H new ATOM 0 HD22 ASN A 105 70.435 0.483 -4.696 1.00 0.00 H new ATOM 460 N CYS A 106 69.635 -1.919 -5.681 1.00 0.00 N ATOM 461 CA CYS A 106 70.246 -3.177 -5.358 1.00 0.00 C ATOM 462 C CYS A 106 69.308 -4.361 -5.573 1.00 0.00 C ATOM 463 O CYS A 106 69.743 -5.422 -6.013 1.00 0.00 O ATOM 464 CB CYS A 106 70.828 -3.280 -3.931 1.00 0.00 C ATOM 465 SG CYS A 106 72.189 -2.175 -3.501 1.00 0.00 S ATOM 0 H CYS A 106 69.129 -1.457 -4.925 1.00 0.00 H new ATOM 0 HA CYS A 106 71.080 -3.219 -6.059 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.017 -3.105 -3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.167 -4.305 -3.780 1.00 0.00 H new ATOM 0 HG CYS A 106 71.769 -0.945 -3.513 1.00 0.00 H new ATOM 470 N GLN A 107 68.017 -4.165 -5.221 1.00 0.00 N ATOM 471 CA GLN A 107 67.016 -5.221 -5.172 1.00 0.00 C ATOM 472 C GLN A 107 67.347 -6.208 -4.075 1.00 0.00 C ATOM 473 O GLN A 107 66.900 -7.363 -4.046 1.00 0.00 O ATOM 474 CB GLN A 107 66.784 -5.863 -6.490 1.00 0.00 C ATOM 475 CG GLN A 107 66.184 -4.889 -7.445 1.00 0.00 C ATOM 476 CD GLN A 107 67.137 -4.534 -8.547 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.161 -5.156 -9.607 1.00 0.00 O ATOM 478 NE2 GLN A 107 67.911 -3.538 -8.305 1.00 0.00 N ATOM 0 H GLN A 107 67.650 -3.250 -4.961 1.00 0.00 H new ATOM 0 HA GLN A 107 66.059 -4.762 -4.922 1.00 0.00 H new ATOM 0 HB2 GLN A 107 67.726 -6.240 -6.889 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.122 -6.721 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.275 -5.311 -7.872 1.00 0.00 H new ATOM 0 HG3 GLN A 107 65.894 -3.985 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.853 -3.053 -7.409 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.583 -3.232 -9.008 1.00 0.00 H new ATOM 487 N LYS A 108 68.118 -5.691 -3.167 1.00 0.00 N ATOM 488 CA LYS A 108 68.521 -6.305 -1.957 1.00 0.00 C ATOM 489 C LYS A 108 67.490 -5.982 -0.951 1.00 0.00 C ATOM 490 O LYS A 108 67.202 -4.819 -0.741 1.00 0.00 O ATOM 491 CB LYS A 108 69.779 -5.640 -1.510 1.00 0.00 C ATOM 492 CG LYS A 108 70.233 -6.086 -0.169 1.00 0.00 C ATOM 493 CD LYS A 108 71.183 -5.107 0.439 1.00 0.00 C ATOM 494 CE LYS A 108 70.435 -3.959 1.065 1.00 0.00 C ATOM 495 NZ LYS A 108 71.364 -3.054 1.765 1.00 0.00 N ATOM 0 H LYS A 108 68.508 -4.754 -3.270 1.00 0.00 H new ATOM 0 HA LYS A 108 68.658 -7.379 -2.081 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.566 -5.840 -2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.626 -4.561 -1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.370 -6.212 0.485 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.716 -7.060 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.793 -5.605 1.193 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.864 -4.731 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 108 69.893 -3.409 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.693 -4.341 1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 70.870 -2.594 2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.171 -3.599 2.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.708 -2.329 1.103 1.00 0.00 H new ATOM 509 N PRO A 109 66.935 -6.955 -0.319 1.00 0.00 N ATOM 510 CA PRO A 109 65.931 -6.726 0.652 1.00 0.00 C ATOM 511 C PRO A 109 66.481 -6.045 1.919 1.00 0.00 C ATOM 512 O PRO A 109 67.380 -6.565 2.604 1.00 0.00 O ATOM 513 CB PRO A 109 65.311 -8.084 0.909 1.00 0.00 C ATOM 514 CG PRO A 109 66.098 -9.058 0.081 1.00 0.00 C ATOM 515 CD PRO A 109 67.263 -8.351 -0.480 1.00 0.00 C ATOM 0 HA PRO A 109 65.178 -6.020 0.301 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.360 -8.342 1.967 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.258 -8.093 0.627 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.423 -9.900 0.692 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.479 -9.464 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.180 -8.609 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.418 -8.606 -1.528 1.00 0.00 H new ATOM 523 N LEU A 110 65.948 -4.874 2.185 1.00 0.00 N ATOM 524 CA LEU A 110 66.367 -4.019 3.272 1.00 0.00 C ATOM 525 C LEU A 110 65.721 -4.489 4.522 1.00 0.00 C ATOM 526 O LEU A 110 64.534 -4.801 4.548 1.00 0.00 O ATOM 527 CB LEU A 110 65.974 -2.563 2.986 1.00 0.00 C ATOM 528 CG LEU A 110 66.221 -2.028 1.590 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.959 -0.550 1.556 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.618 -2.299 1.180 1.00 0.00 C ATOM 0 H LEU A 110 65.187 -4.478 1.633 1.00 0.00 H new ATOM 0 HA LEU A 110 67.451 -4.063 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.912 -2.453 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.511 -1.926 3.689 1.00 0.00 H new ATOM 0 HG LEU A 110 65.545 -2.528 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.138 -0.172 0.550 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.924 -0.357 1.837 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.625 -0.046 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.784 -1.910 0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.302 -1.812 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.797 -3.374 1.187 1.00 0.00 H new ATOM 542 N SER A 111 66.505 -4.597 5.520 1.00 0.00 N ATOM 543 CA SER A 111 66.070 -5.018 6.815 1.00 0.00 C ATOM 544 C SER A 111 65.665 -3.747 7.595 1.00 0.00 C ATOM 545 O SER A 111 65.775 -2.641 7.020 1.00 0.00 O ATOM 546 CB SER A 111 67.232 -5.791 7.458 1.00 0.00 C ATOM 547 OG SER A 111 67.643 -6.860 6.607 1.00 0.00 O ATOM 0 H SER A 111 67.503 -4.391 5.470 1.00 0.00 H new ATOM 0 HA SER A 111 65.206 -5.682 6.796 1.00 0.00 H new ATOM 0 HB2 SER A 111 68.070 -5.118 7.639 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.924 -6.185 8.427 1.00 0.00 H new ATOM 0 HG SER A 111 68.385 -7.345 7.026 1.00 0.00 H new ATOM 553 N PRO A 112 65.163 -3.840 8.873 1.00 0.00 N ATOM 554 CA PRO A 112 64.758 -2.657 9.670 1.00 0.00 C ATOM 555 C PRO A 112 65.800 -1.536 9.645 1.00 0.00 C ATOM 556 O PRO A 112 65.449 -0.372 9.694 1.00 0.00 O ATOM 557 CB PRO A 112 64.604 -3.214 11.073 1.00 0.00 C ATOM 558 CG PRO A 112 64.163 -4.613 10.853 1.00 0.00 C ATOM 559 CD PRO A 112 64.913 -5.092 9.642 1.00 0.00 C ATOM 0 HA PRO A 112 63.852 -2.197 9.276 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.543 -3.173 11.625 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.871 -2.650 11.649 1.00 0.00 H new ATOM 0 HG2 PRO A 112 64.384 -5.234 11.721 1.00 0.00 H new ATOM 0 HG3 PRO A 112 63.086 -4.663 10.691 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.844 -5.588 9.916 1.00 0.00 H new ATOM 0 HD3 PRO A 112 64.328 -5.808 9.065 1.00 0.00 H new ATOM 567 N GLU A 113 67.069 -1.912 9.510 1.00 0.00 N ATOM 568 CA GLU A 113 68.178 -0.967 9.384 1.00 0.00 C ATOM 569 C GLU A 113 67.949 0.057 8.268 1.00 0.00 C ATOM 570 O GLU A 113 68.097 1.261 8.484 1.00 0.00 O ATOM 571 CB GLU A 113 69.508 -1.712 9.173 1.00 0.00 C ATOM 572 CG GLU A 113 69.479 -2.809 8.103 1.00 0.00 C ATOM 573 CD GLU A 113 70.802 -3.534 7.974 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.322 -4.033 8.989 1.00 0.00 O ATOM 575 OE2 GLU A 113 71.345 -3.636 6.846 1.00 0.00 O ATOM 0 H GLU A 113 67.360 -2.889 9.485 1.00 0.00 H new ATOM 0 HA GLU A 113 68.230 -0.412 10.321 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.275 -0.985 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.810 -2.159 10.120 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.697 -3.528 8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.216 -2.367 7.142 1.00 0.00 H new ATOM 582 N GLU A 114 67.556 -0.404 7.104 1.00 0.00 N ATOM 583 CA GLU A 114 67.373 0.468 5.984 1.00 0.00 C ATOM 584 C GLU A 114 65.920 0.887 5.828 1.00 0.00 C ATOM 585 O GLU A 114 65.619 1.934 5.290 1.00 0.00 O ATOM 586 CB GLU A 114 67.968 -0.213 4.801 1.00 0.00 C ATOM 587 CG GLU A 114 69.455 -0.237 4.927 1.00 0.00 C ATOM 588 CD GLU A 114 70.156 -1.230 4.084 1.00 0.00 C ATOM 589 OE1 GLU A 114 69.602 -2.288 3.788 1.00 0.00 O ATOM 590 OE2 GLU A 114 71.312 -0.986 3.730 1.00 0.00 O ATOM 0 H GLU A 114 67.357 -1.386 6.914 1.00 0.00 H new ATOM 0 HA GLU A 114 67.888 1.419 6.122 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.584 -1.230 4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.680 0.307 3.887 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.838 0.754 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.710 -0.429 5.969 1.00 0.00 H new ATOM 597 N LYS A 115 65.038 0.094 6.376 1.00 0.00 N ATOM 598 CA LYS A 115 63.615 0.427 6.462 1.00 0.00 C ATOM 599 C LYS A 115 63.420 1.625 7.352 1.00 0.00 C ATOM 600 O LYS A 115 62.643 2.514 7.052 1.00 0.00 O ATOM 601 CB LYS A 115 62.876 -0.752 7.040 1.00 0.00 C ATOM 602 CG LYS A 115 62.656 -1.871 6.043 1.00 0.00 C ATOM 603 CD LYS A 115 62.018 -3.133 6.634 1.00 0.00 C ATOM 604 CE LYS A 115 61.703 -4.096 5.520 1.00 0.00 C ATOM 605 NZ LYS A 115 61.427 -5.479 5.970 1.00 0.00 N ATOM 0 H LYS A 115 65.275 -0.811 6.782 1.00 0.00 H new ATOM 0 HA LYS A 115 63.233 0.659 5.468 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.434 -1.139 7.892 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.910 -0.417 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 115 62.022 -1.502 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.615 -2.138 5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.696 -3.596 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.108 -2.875 7.176 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.838 -3.726 4.969 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.541 -4.114 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.471 -6.124 5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.136 -5.763 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.479 -5.523 6.395 1.00 0.00 H new ATOM 619 N GLN A 116 64.167 1.669 8.437 1.00 0.00 N ATOM 620 CA GLN A 116 64.100 2.775 9.372 1.00 0.00 C ATOM 621 C GLN A 116 64.684 4.005 8.792 1.00 0.00 C ATOM 622 O GLN A 116 64.486 5.072 9.293 1.00 0.00 O ATOM 623 CB GLN A 116 64.749 2.432 10.698 1.00 0.00 C ATOM 624 CG GLN A 116 63.758 2.277 11.864 1.00 0.00 C ATOM 625 CD GLN A 116 62.735 1.126 11.723 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.281 0.574 12.718 1.00 0.00 O ATOM 627 NE2 GLN A 116 62.389 0.750 10.515 1.00 0.00 N ATOM 0 H GLN A 116 64.835 0.943 8.695 1.00 0.00 H new ATOM 0 HA GLN A 116 63.045 2.967 9.569 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.309 1.504 10.586 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.469 3.211 10.949 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.326 2.124 12.782 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.211 3.213 11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.780 1.225 9.701 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.729 -0.017 10.389 1.00 0.00 H new ATOM 636 N ARG A 117 65.343 3.868 7.706 1.00 0.00 N ATOM 637 CA ARG A 117 65.838 5.041 7.024 1.00 0.00 C ATOM 638 C ARG A 117 64.641 5.768 6.449 1.00 0.00 C ATOM 639 O ARG A 117 64.524 6.997 6.517 1.00 0.00 O ATOM 640 CB ARG A 117 66.810 4.698 5.894 1.00 0.00 C ATOM 641 CG ARG A 117 67.335 5.920 5.196 1.00 0.00 C ATOM 642 CD ARG A 117 68.578 5.619 4.439 1.00 0.00 C ATOM 643 NE ARG A 117 69.651 5.243 5.375 1.00 0.00 N ATOM 644 CZ ARG A 117 70.777 5.929 5.585 1.00 0.00 C ATOM 645 NH1 ARG A 117 71.110 6.942 4.801 1.00 0.00 N ATOM 646 NH2 ARG A 117 71.586 5.573 6.577 1.00 0.00 N ATOM 0 H ARG A 117 65.560 2.977 7.260 1.00 0.00 H new ATOM 0 HA ARG A 117 66.388 5.655 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.646 4.128 6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.308 4.057 5.169 1.00 0.00 H new ATOM 0 HG2 ARG A 117 66.577 6.306 4.515 1.00 0.00 H new ATOM 0 HG3 ARG A 117 67.534 6.702 5.928 1.00 0.00 H new ATOM 0 HD2 ARG A 117 68.398 4.808 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.880 6.489 3.856 1.00 0.00 H new ATOM 0 HE ARG A 117 69.523 4.384 5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 117 70.503 7.207 4.025 1.00 0.00 H new ATOM 0 HH12 ARG A 117 71.973 7.458 4.973 1.00 0.00 H new ATOM 0 HH21 ARG A 117 71.345 4.780 7.172 1.00 0.00 H new ATOM 0 HH22 ARG A 117 72.448 6.092 6.743 1.00 0.00 H new ATOM 660 N HIS A 118 63.730 4.982 5.959 1.00 0.00 N ATOM 661 CA HIS A 118 62.542 5.457 5.328 1.00 0.00 C ATOM 662 C HIS A 118 61.476 5.793 6.362 1.00 0.00 C ATOM 663 O HIS A 118 60.561 6.556 6.094 1.00 0.00 O ATOM 664 CB HIS A 118 62.043 4.410 4.333 1.00 0.00 C ATOM 665 CG HIS A 118 63.077 4.086 3.250 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.674 5.047 2.476 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.688 2.925 2.911 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.627 4.462 1.742 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.669 3.178 1.960 1.00 0.00 N ATOM 0 H HIS A 118 63.797 3.965 5.990 1.00 0.00 H new ATOM 0 HA HIS A 118 62.765 6.376 4.786 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.787 3.497 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.129 4.769 3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.449 1.953 3.317 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.277 4.986 1.057 1.00 0.00 H new ATOM 0 HE2 HIS A 118 65.293 2.499 1.523 1.00 0.00 H new ATOM 677 N LEU A 119 61.612 5.230 7.548 1.00 0.00 N ATOM 678 CA LEU A 119 60.643 5.452 8.620 1.00 0.00 C ATOM 679 C LEU A 119 61.083 6.534 9.578 1.00 0.00 C ATOM 680 O LEU A 119 60.362 7.481 9.815 1.00 0.00 O ATOM 681 CB LEU A 119 60.382 4.171 9.394 1.00 0.00 C ATOM 682 CG LEU A 119 60.059 2.945 8.563 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.583 1.800 9.416 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.052 3.271 7.538 1.00 0.00 C ATOM 0 H LEU A 119 62.384 4.613 7.800 1.00 0.00 H new ATOM 0 HA LEU A 119 59.723 5.780 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.260 3.952 10.002 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.555 4.348 10.081 1.00 0.00 H new ATOM 0 HG LEU A 119 60.980 2.630 8.072 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.362 0.941 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.360 1.532 10.132 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.682 2.096 9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.831 2.381 6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.141 3.622 8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.439 4.052 6.883 1.00 0.00 H new ATOM 696 N ASP A 120 62.257 6.360 10.136 1.00 0.00 N ATOM 697 CA ASP A 120 62.833 7.301 11.114 1.00 0.00 C ATOM 698 C ASP A 120 63.151 8.629 10.469 1.00 0.00 C ATOM 699 O ASP A 120 62.613 9.666 10.842 1.00 0.00 O ATOM 700 CB ASP A 120 64.127 6.735 11.645 1.00 0.00 C ATOM 701 CG ASP A 120 64.742 7.560 12.734 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.344 7.411 13.911 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.654 8.363 12.442 1.00 0.00 O ATOM 0 H ASP A 120 62.858 5.561 9.934 1.00 0.00 H new ATOM 0 HA ASP A 120 62.103 7.445 11.910 1.00 0.00 H new ATOM 0 HB2 ASP A 120 63.946 5.728 12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.838 6.645 10.824 1.00 0.00 H new ATOM 708 N LYS A 121 64.040 8.581 9.484 1.00 0.00 N ATOM 709 CA LYS A 121 64.478 9.787 8.792 1.00 0.00 C ATOM 710 C LYS A 121 63.458 10.151 7.755 1.00 0.00 C ATOM 711 O LYS A 121 63.483 11.244 7.181 1.00 0.00 O ATOM 712 CB LYS A 121 65.813 9.567 8.106 1.00 0.00 C ATOM 713 CG LYS A 121 66.857 8.931 8.979 1.00 0.00 C ATOM 714 CD LYS A 121 68.192 8.886 8.266 1.00 0.00 C ATOM 715 CE LYS A 121 69.197 8.029 9.004 1.00 0.00 C ATOM 716 NZ LYS A 121 69.506 8.534 10.368 1.00 0.00 N ATOM 0 H LYS A 121 64.471 7.720 9.147 1.00 0.00 H new ATOM 0 HA LYS A 121 64.588 10.586 9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.659 8.940 7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.188 10.526 7.750 1.00 0.00 H new ATOM 0 HG2 LYS A 121 66.953 9.493 9.908 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.548 7.921 9.248 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.052 8.495 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.583 9.898 8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.813 7.012 9.078 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.119 7.980 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.249 7.945 10.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 69.836 9.518 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.649 8.492 10.956 1.00 0.00 H new ATOM 730 N LYS A 122 62.577 9.190 7.498 1.00 0.00 N ATOM 731 CA LYS A 122 61.470 9.322 6.581 1.00 0.00 C ATOM 732 C LYS A 122 61.983 9.571 5.157 1.00 0.00 C ATOM 733 O LYS A 122 61.462 10.384 4.404 1.00 0.00 O ATOM 734 CB LYS A 122 60.531 10.410 7.069 1.00 0.00 C ATOM 735 CG LYS A 122 60.146 10.270 8.527 1.00 0.00 C ATOM 736 CD LYS A 122 59.244 11.386 8.997 1.00 0.00 C ATOM 737 CE LYS A 122 58.891 11.200 10.454 1.00 0.00 C ATOM 738 NZ LYS A 122 57.942 12.219 10.937 1.00 0.00 N ATOM 0 H LYS A 122 62.622 8.272 7.940 1.00 0.00 H new ATOM 0 HA LYS A 122 60.901 8.393 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.004 11.381 6.918 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.627 10.398 6.460 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.644 9.314 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.049 10.255 9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.740 12.346 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.335 11.405 8.396 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.460 10.209 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 122 59.800 11.241 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 57.731 12.049 11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 58.362 13.164 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 57.063 12.164 10.384 1.00 0.00 H new ATOM 752 N GLN A 123 63.021 8.839 4.818 1.00 0.00 N ATOM 753 CA GLN A 123 63.644 8.873 3.500 1.00 0.00 C ATOM 754 C GLN A 123 62.605 8.364 2.467 1.00 0.00 C ATOM 755 O GLN A 123 61.873 7.411 2.748 1.00 0.00 O ATOM 756 CB GLN A 123 64.836 7.911 3.521 1.00 0.00 C ATOM 757 CG GLN A 123 66.102 8.344 2.797 1.00 0.00 C ATOM 758 CD GLN A 123 66.865 9.451 3.509 1.00 0.00 C ATOM 759 OE1 GLN A 123 67.517 10.275 2.871 1.00 0.00 O ATOM 760 NE2 GLN A 123 66.844 9.443 4.828 1.00 0.00 N ATOM 0 H GLN A 123 63.470 8.187 5.461 1.00 0.00 H new ATOM 0 HA GLN A 123 63.972 9.880 3.241 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.094 7.718 4.562 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.511 6.963 3.092 1.00 0.00 H new ATOM 0 HG2 GLN A 123 66.757 7.480 2.680 1.00 0.00 H new ATOM 0 HG3 GLN A 123 65.839 8.682 1.795 1.00 0.00 H new ATOM 0 HE21 GLN A 123 66.292 8.744 5.325 1.00 0.00 H new ATOM 0 HE22 GLN A 123 67.380 10.136 5.351 1.00 0.00 H new ATOM 769 N ARG A 124 62.563 8.975 1.301 1.00 0.00 N ATOM 770 CA ARG A 124 61.585 8.602 0.265 1.00 0.00 C ATOM 771 C ARG A 124 62.002 7.337 -0.464 1.00 0.00 C ATOM 772 O ARG A 124 63.191 7.028 -0.561 1.00 0.00 O ATOM 773 CB ARG A 124 61.390 9.722 -0.791 1.00 0.00 C ATOM 774 CG ARG A 124 60.653 10.993 -0.341 1.00 0.00 C ATOM 775 CD ARG A 124 61.389 11.753 0.745 1.00 0.00 C ATOM 776 NE ARG A 124 62.769 12.075 0.378 1.00 0.00 N ATOM 777 CZ ARG A 124 63.762 12.297 1.246 1.00 0.00 C ATOM 778 NH1 ARG A 124 63.545 12.203 2.559 1.00 0.00 N ATOM 779 NH2 ARG A 124 64.966 12.587 0.799 1.00 0.00 N ATOM 0 H ARG A 124 63.190 9.734 1.034 1.00 0.00 H new ATOM 0 HA ARG A 124 60.646 8.438 0.793 1.00 0.00 H new ATOM 0 HB2 ARG A 124 62.374 10.014 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.847 9.298 -1.636 1.00 0.00 H new ATOM 0 HG2 ARG A 124 60.510 11.647 -1.201 1.00 0.00 H new ATOM 0 HG3 ARG A 124 59.661 10.722 0.021 1.00 0.00 H new ATOM 0 HD2 ARG A 124 60.852 12.676 0.964 1.00 0.00 H new ATOM 0 HD3 ARG A 124 61.390 11.160 1.660 1.00 0.00 H new ATOM 0 HE ARG A 124 62.990 12.135 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 124 62.617 11.960 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 124 64.307 12.374 3.215 1.00 0.00 H new ATOM 0 HH21 ARG A 124 65.138 12.641 -0.205 1.00 0.00 H new ATOM 0 HH22 ARG A 124 65.727 12.757 1.457 1.00 0.00 H new ATOM 793 N PHE A 125 61.023 6.604 -0.925 1.00 0.00 N ATOM 794 CA PHE A 125 61.222 5.432 -1.770 1.00 0.00 C ATOM 795 C PHE A 125 60.017 5.277 -2.688 1.00 0.00 C ATOM 796 O PHE A 125 59.173 6.166 -2.736 1.00 0.00 O ATOM 797 CB PHE A 125 61.400 4.155 -0.922 1.00 0.00 C ATOM 798 CG PHE A 125 60.355 3.919 0.126 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.097 4.462 0.026 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.636 3.174 1.222 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.181 4.250 0.950 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.686 2.973 2.165 1.00 0.00 C ATOM 803 CZ PHE A 125 58.480 3.497 2.010 1.00 0.00 C ATOM 0 H PHE A 125 60.042 6.800 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 125 62.129 5.572 -2.357 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.417 3.296 -1.592 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.374 4.198 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.853 5.076 -0.828 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.618 2.741 1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.196 4.682 0.850 1.00 0.00 H new ATOM 0 HE2 PHE A 125 59.911 2.386 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.723 3.311 2.757 1.00 0.00 H new ATOM 813 N HIS A 126 59.906 4.144 -3.333 1.00 0.00 N ATOM 814 CA HIS A 126 58.791 3.845 -4.180 1.00 0.00 C ATOM 815 C HIS A 126 57.885 2.801 -3.456 1.00 0.00 C ATOM 816 O HIS A 126 58.361 2.078 -2.614 1.00 0.00 O ATOM 817 CB HIS A 126 59.332 3.283 -5.496 1.00 0.00 C ATOM 818 CG HIS A 126 58.316 3.244 -6.570 1.00 0.00 C ATOM 819 ND1 HIS A 126 58.421 3.913 -7.745 1.00 0.00 N ATOM 820 CD2 HIS A 126 57.149 2.609 -6.606 1.00 0.00 C ATOM 821 CE1 HIS A 126 57.333 3.677 -8.449 1.00 0.00 C ATOM 822 NE2 HIS A 126 56.520 2.875 -7.801 1.00 0.00 N ATOM 0 H HIS A 126 60.599 3.397 -3.281 1.00 0.00 H new ATOM 0 HA HIS A 126 58.198 4.735 -4.390 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.176 3.890 -5.824 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.711 2.275 -5.326 1.00 0.00 H new ATOM 0 HD2 HIS A 126 56.755 1.982 -5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 126 57.136 4.088 -9.428 1.00 0.00 H new ATOM 0 HE2 HIS A 126 55.616 2.524 -8.116 1.00 0.00 H new ATOM 830 N ASN A 127 56.582 2.800 -3.748 1.00 0.00 N ATOM 831 CA ASN A 127 55.570 1.831 -3.214 1.00 0.00 C ATOM 832 C ASN A 127 55.060 0.915 -4.326 1.00 0.00 C ATOM 833 O ASN A 127 54.504 1.393 -5.321 1.00 0.00 O ATOM 834 CB ASN A 127 54.388 2.596 -2.606 1.00 0.00 C ATOM 835 CG ASN A 127 54.669 3.113 -1.225 1.00 0.00 C ATOM 836 OD1 ASN A 127 53.752 3.362 -0.441 1.00 0.00 O ATOM 837 ND2 ASN A 127 55.925 3.214 -0.883 1.00 0.00 N ATOM 0 H ASN A 127 56.170 3.487 -4.380 1.00 0.00 H new ATOM 0 HA ASN A 127 56.049 1.222 -2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.132 3.433 -3.256 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.518 1.941 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.174 3.508 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.657 2.999 -1.560 1.00 0.00 H new ATOM 844 N ILE A 128 55.250 -0.393 -4.175 1.00 0.00 N ATOM 845 CA ILE A 128 54.919 -1.341 -5.211 1.00 0.00 C ATOM 846 C ILE A 128 53.928 -2.391 -4.678 1.00 0.00 C ATOM 847 O ILE A 128 53.727 -2.511 -3.488 1.00 0.00 O ATOM 848 CB ILE A 128 56.231 -2.024 -5.799 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.203 -0.948 -6.253 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.915 -2.927 -6.989 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.070 -0.364 -5.209 1.00 0.00 C ATOM 0 H ILE A 128 55.637 -0.815 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 128 54.437 -0.806 -6.029 1.00 0.00 H new ATOM 0 HB ILE A 128 56.668 -2.633 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.840 -1.369 -7.030 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.631 -0.142 -6.712 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.837 -3.374 -7.361 1.00 0.00 H new ATOM 0 HG22 ILE A 128 55.230 -3.715 -6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.452 -2.337 -7.780 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.718 0.391 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.452 0.098 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.680 -1.149 -4.762 1.00 0.00 H new ATOM 863 N ARG A 129 53.308 -3.117 -5.569 1.00 0.00 N ATOM 864 CA ARG A 129 52.356 -4.135 -5.226 1.00 0.00 C ATOM 865 C ARG A 129 52.981 -5.243 -4.370 1.00 0.00 C ATOM 866 O ARG A 129 53.725 -6.090 -4.871 1.00 0.00 O ATOM 867 CB ARG A 129 51.771 -4.730 -6.499 1.00 0.00 C ATOM 868 CG ARG A 129 50.652 -5.722 -6.270 1.00 0.00 C ATOM 869 CD ARG A 129 49.539 -5.088 -5.472 1.00 0.00 C ATOM 870 NE ARG A 129 48.340 -5.912 -5.473 1.00 0.00 N ATOM 871 CZ ARG A 129 47.491 -6.063 -4.455 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.725 -5.494 -3.278 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.417 -6.815 -4.617 1.00 0.00 N ATOM 0 H ARG A 129 53.455 -3.014 -6.573 1.00 0.00 H new ATOM 0 HA ARG A 129 51.568 -3.671 -4.633 1.00 0.00 H new ATOM 0 HB2 ARG A 129 51.399 -3.920 -7.126 1.00 0.00 H new ATOM 0 HB3 ARG A 129 52.569 -5.223 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG A 129 50.267 -6.072 -7.228 1.00 0.00 H new ATOM 0 HG3 ARG A 129 51.035 -6.595 -5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.871 -4.930 -4.446 1.00 0.00 H new ATOM 0 HD3 ARG A 129 49.307 -4.107 -5.887 1.00 0.00 H new ATOM 0 HE ARG A 129 48.129 -6.421 -6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 129 48.565 -4.931 -3.142 1.00 0.00 H new ATOM 0 HH12 ARG A 129 47.065 -5.620 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 129 46.245 -7.272 -5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.760 -6.939 -3.847 1.00 0.00 H new ATOM 887 N GLY A 130 52.747 -5.157 -3.079 1.00 0.00 N ATOM 888 CA GLY A 130 53.127 -6.202 -2.159 1.00 0.00 C ATOM 889 C GLY A 130 54.567 -6.154 -1.718 1.00 0.00 C ATOM 890 O GLY A 130 54.993 -6.973 -0.905 1.00 0.00 O ATOM 0 H GLY A 130 52.288 -4.360 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.488 -6.143 -1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 130 52.936 -7.168 -2.627 1.00 0.00 H new ATOM 894 N ARG A 131 55.324 -5.261 -2.279 1.00 0.00 N ATOM 895 CA ARG A 131 56.709 -5.085 -1.921 1.00 0.00 C ATOM 896 C ARG A 131 57.083 -3.668 -2.223 1.00 0.00 C ATOM 897 O ARG A 131 56.273 -2.935 -2.757 1.00 0.00 O ATOM 898 CB ARG A 131 57.574 -5.968 -2.798 1.00 0.00 C ATOM 899 CG ARG A 131 57.472 -5.603 -4.261 1.00 0.00 C ATOM 900 CD ARG A 131 58.830 -5.489 -4.876 1.00 0.00 C ATOM 901 NE ARG A 131 58.746 -5.282 -6.316 1.00 0.00 N ATOM 902 CZ ARG A 131 59.416 -4.361 -7.007 1.00 0.00 C ATOM 903 NH1 ARG A 131 60.318 -3.584 -6.410 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.213 -4.245 -8.304 1.00 0.00 N ATOM 0 H ARG A 131 54.999 -4.624 -3.007 1.00 0.00 H new ATOM 0 HA ARG A 131 56.852 -5.333 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.613 -5.888 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.279 -7.009 -2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 131 56.891 -6.359 -4.789 1.00 0.00 H new ATOM 0 HG3 ARG A 131 56.939 -4.658 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.370 -4.660 -4.419 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.402 -6.394 -4.670 1.00 0.00 H new ATOM 0 HE ARG A 131 58.121 -5.895 -6.840 1.00 0.00 H new ATOM 0 HH11 ARG A 131 60.502 -3.690 -5.412 1.00 0.00 H new ATOM 0 HH12 ARG A 131 60.824 -2.883 -6.950 1.00 0.00 H new ATOM 0 HH21 ARG A 131 58.546 -4.858 -8.773 1.00 0.00 H new ATOM 0 HH22 ARG A 131 59.723 -3.542 -8.839 1.00 0.00 H new ATOM 918 N TRP A 132 58.283 -3.257 -1.915 1.00 0.00 N ATOM 919 CA TRP A 132 58.739 -2.080 -2.546 1.00 0.00 C ATOM 920 C TRP A 132 60.198 -2.085 -2.950 1.00 0.00 C ATOM 921 O TRP A 132 60.868 -3.124 -2.909 1.00 0.00 O ATOM 922 CB TRP A 132 58.306 -0.798 -1.877 1.00 0.00 C ATOM 923 CG TRP A 132 58.706 -0.455 -0.537 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.916 -0.087 0.420 1.00 0.00 C ATOM 925 CD2 TRP A 132 60.045 -0.348 -0.036 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.643 0.234 1.514 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.983 0.068 1.230 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.250 -0.593 -0.557 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.155 0.257 2.012 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.372 -0.429 0.156 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.333 -0.004 1.420 1.00 0.00 C ATOM 0 H TRP A 132 58.926 -3.704 -1.261 1.00 0.00 H new ATOM 0 HA TRP A 132 58.201 -2.098 -3.494 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.637 0.017 -2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.216 -0.792 -1.889 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.839 -0.043 0.355 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.262 0.548 2.406 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.322 -0.932 -1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 61.101 0.595 3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.326 -0.645 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.253 0.131 1.970 1.00 0.00 H new ATOM 942 N THR A 133 60.682 -0.912 -3.360 1.00 0.00 N ATOM 943 CA THR A 133 62.004 -0.706 -3.731 1.00 0.00 C ATOM 944 C THR A 133 62.398 0.732 -3.160 1.00 0.00 C ATOM 945 O THR A 133 61.681 1.730 -3.345 1.00 0.00 O ATOM 946 CB THR A 133 62.067 -0.840 -5.259 1.00 0.00 C ATOM 947 OG1 THR A 133 63.341 -0.992 -5.741 1.00 0.00 O ATOM 948 CG2 THR A 133 61.322 0.260 -5.933 1.00 0.00 C ATOM 0 H THR A 133 60.107 -0.072 -3.431 1.00 0.00 H new ATOM 0 HA THR A 133 62.721 -1.423 -3.331 1.00 0.00 H new ATOM 0 HB THR A 133 61.560 -1.772 -5.508 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.847 -1.585 -5.147 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.387 0.135 -7.014 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.276 0.232 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.757 1.219 -5.652 1.00 0.00 H new ATOM 956 N GLY A 134 63.440 0.741 -2.361 1.00 0.00 N ATOM 957 CA GLY A 134 63.899 1.889 -1.596 1.00 0.00 C ATOM 958 C GLY A 134 65.320 2.220 -1.913 1.00 0.00 C ATOM 959 O GLY A 134 65.731 2.071 -2.998 1.00 0.00 O ATOM 0 H GLY A 134 64.020 -0.086 -2.217 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.266 2.750 -1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.801 1.681 -0.530 1.00 0.00 H new ATOM 963 N ARG A 135 66.071 2.646 -0.975 1.00 0.00 N ATOM 964 CA ARG A 135 67.499 2.818 -1.188 1.00 0.00 C ATOM 965 C ARG A 135 68.160 2.426 0.046 1.00 0.00 C ATOM 966 O ARG A 135 67.949 3.070 1.082 1.00 0.00 O ATOM 967 CB ARG A 135 67.951 4.259 -1.561 1.00 0.00 C ATOM 968 CG ARG A 135 67.443 4.817 -2.879 1.00 0.00 C ATOM 969 CD ARG A 135 66.210 5.666 -2.693 1.00 0.00 C ATOM 970 NE ARG A 135 66.511 6.993 -2.103 1.00 0.00 N ATOM 971 CZ ARG A 135 65.794 8.111 -2.342 1.00 0.00 C ATOM 972 NH1 ARG A 135 64.780 8.079 -3.196 1.00 0.00 N ATOM 973 NH2 ARG A 135 66.113 9.258 -1.744 1.00 0.00 N ATOM 0 H ARG A 135 65.744 2.890 -0.040 1.00 0.00 H new ATOM 0 HA ARG A 135 67.769 2.205 -2.048 1.00 0.00 H new ATOM 0 HB2 ARG A 135 67.635 4.931 -0.763 1.00 0.00 H new ATOM 0 HB3 ARG A 135 69.041 4.279 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 135 68.227 5.413 -3.347 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.219 3.995 -3.559 1.00 0.00 H new ATOM 0 HD2 ARG A 135 65.721 5.804 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 135 65.505 5.139 -2.050 1.00 0.00 H new ATOM 0 HE ARG A 135 67.312 7.065 -1.476 1.00 0.00 H new ATOM 0 HH11 ARG A 135 64.542 7.209 -3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 135 64.238 8.924 -3.376 1.00 0.00 H new ATOM 0 HH21 ARG A 135 66.904 9.295 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 135 65.567 10.099 -1.929 1.00 0.00 H new ATOM 987 N CYS A 136 68.910 1.336 -0.004 1.00 0.00 N ATOM 988 CA CYS A 136 69.650 0.938 1.158 1.00 0.00 C ATOM 989 C CYS A 136 70.642 2.038 1.556 1.00 0.00 C ATOM 990 O CYS A 136 70.850 2.968 0.807 1.00 0.00 O ATOM 991 CB CYS A 136 70.373 -0.386 0.934 1.00 0.00 C ATOM 992 SG CYS A 136 71.900 -0.457 -0.093 1.00 0.00 S ATOM 0 H CYS A 136 69.014 0.732 -0.819 1.00 0.00 H new ATOM 0 HA CYS A 136 68.943 0.790 1.974 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.628 -0.783 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.654 -1.074 0.489 1.00 0.00 H new ATOM 0 HG CYS A 136 71.681 -1.186 -1.147 1.00 0.00 H new ATOM 997 N MET A 137 71.254 1.917 2.709 1.00 0.00 N ATOM 998 CA MET A 137 72.220 2.935 3.221 1.00 0.00 C ATOM 999 C MET A 137 73.248 3.331 2.201 1.00 0.00 C ATOM 1000 O MET A 137 73.544 4.507 2.028 1.00 0.00 O ATOM 1001 CB MET A 137 72.905 2.437 4.455 1.00 0.00 C ATOM 1002 CG MET A 137 71.957 2.232 5.568 1.00 0.00 C ATOM 1003 SD MET A 137 72.688 1.437 6.993 1.00 0.00 S ATOM 1004 CE MET A 137 73.130 -0.128 6.242 1.00 0.00 C ATOM 0 H MET A 137 71.117 1.125 3.337 1.00 0.00 H new ATOM 0 HA MET A 137 71.633 3.823 3.455 1.00 0.00 H new ATOM 0 HB2 MET A 137 73.413 1.498 4.234 1.00 0.00 H new ATOM 0 HB3 MET A 137 73.671 3.151 4.758 1.00 0.00 H new ATOM 0 HG2 MET A 137 71.550 3.197 5.870 1.00 0.00 H new ATOM 0 HG3 MET A 137 71.120 1.629 5.215 1.00 0.00 H new ATOM 0 HE1 MET A 137 73.372 -0.850 7.022 1.00 0.00 H new ATOM 0 HE2 MET A 137 72.292 -0.498 5.652 1.00 0.00 H new ATOM 0 HE3 MET A 137 73.996 0.011 5.595 1.00 0.00 H new ATOM 1014 N SER A 138 73.729 2.365 1.523 1.00 0.00 N ATOM 1015 CA SER A 138 74.708 2.546 0.479 1.00 0.00 C ATOM 1016 C SER A 138 74.158 3.501 -0.624 1.00 0.00 C ATOM 1017 O SER A 138 74.815 4.458 -1.025 1.00 0.00 O ATOM 1018 CB SER A 138 74.990 1.173 -0.135 1.00 0.00 C ATOM 1019 OG SER A 138 75.048 0.163 0.883 1.00 0.00 O ATOM 0 H SER A 138 73.458 1.392 1.667 1.00 0.00 H new ATOM 0 HA SER A 138 75.616 2.986 0.892 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.211 0.925 -0.856 1.00 0.00 H new ATOM 0 HB3 SER A 138 75.933 1.200 -0.681 1.00 0.00 H new ATOM 0 HG SER A 138 74.192 -0.313 0.921 1.00 0.00 H new ATOM 1025 N CYS A 139 72.918 3.265 -1.007 1.00 0.00 N ATOM 1026 CA CYS A 139 72.293 3.866 -2.118 1.00 0.00 C ATOM 1027 C CYS A 139 71.470 5.108 -1.805 1.00 0.00 C ATOM 1028 O CYS A 139 71.189 5.928 -2.689 1.00 0.00 O ATOM 1029 CB CYS A 139 71.468 2.804 -2.688 1.00 0.00 C ATOM 1030 SG CYS A 139 72.441 1.392 -3.159 1.00 0.00 S ATOM 0 H CYS A 139 72.309 2.614 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 139 73.047 4.251 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.714 2.500 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 139 70.936 3.185 -3.559 1.00 0.00 H new ATOM 0 HG CYS A 139 72.411 0.507 -2.207 1.00 0.00 H new