USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 433 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 14 TYR OH : rot 108:sc= -1.24 USER MOD Set 1.2: A 38 THR OG1 : rot 77:sc= 0.712 USER MOD Set 2.1: A 13 TYR OH : rot -140:sc= -3.13! USER MOD Set 2.2: A 46 ASN :FLIP amide:sc= -0.579 F(o=-7.6,f=-3.7) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= -2! (180deg=-2.97!) USER MOD Single : A 10 LYS NZ :NH3+ -132:sc= -0.934 (180deg=-3.38!) USER MOD Single : A 15 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.0011) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.475 F(o=-1.8,f=-0.48) USER MOD Single : A 20 SER OG : rot 180:sc= -0.481 USER MOD Single : A 24 ASN : amide:sc= -0.608 K(o=-0.61,f=-1.7) USER MOD Single : A 29 ASN : amide:sc= -0.365 X(o=-0.37,f=-0.36) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.997 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 1.89 (180deg=0.626) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.114 F(o=-1.3,f=-0.11) USER MOD Single : A 39 SER OG : rot 130:sc= -2.16! USER MOD Single : A 57 THR OG1 : rot -84:sc= -6! USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl -125:sc= -2.25! (180deg=-7.77!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N GLU A 8 5.699 -2.198 9.016 1.00 0.00 N ATOM 105 CA GLU A 8 5.820 -0.769 8.760 1.00 0.00 C ATOM 106 C GLU A 8 4.456 -0.154 8.464 1.00 0.00 C ATOM 107 O GLU A 8 3.839 -0.452 7.442 1.00 0.00 O ATOM 108 CB GLU A 8 6.768 -0.516 7.587 1.00 0.00 C ATOM 109 CG GLU A 8 8.105 -1.227 7.720 1.00 0.00 C ATOM 110 CD GLU A 8 9.132 -0.726 6.725 1.00 0.00 C ATOM 111 OE1 GLU A 8 8.736 -0.056 5.749 1.00 0.00 O ATOM 112 OE2 GLU A 8 10.334 -1.007 6.921 1.00 0.00 O ATOM 0 HA GLU A 8 6.227 -0.299 9.655 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.285 -0.838 6.664 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.944 0.556 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.487 -1.089 8.732 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.959 -2.298 7.578 1.00 0.00 H new ATOM 119 N LYS A 9 3.992 0.705 9.365 1.00 0.00 N ATOM 120 CA LYS A 9 2.701 1.361 9.199 1.00 0.00 C ATOM 121 C LYS A 9 2.880 2.802 8.727 1.00 0.00 C ATOM 122 O LYS A 9 3.682 3.554 9.278 1.00 0.00 O ATOM 123 CB LYS A 9 1.908 1.317 10.511 1.00 0.00 C ATOM 124 CG LYS A 9 0.965 2.496 10.708 1.00 0.00 C ATOM 125 CD LYS A 9 1.720 3.749 11.113 1.00 0.00 C ATOM 126 CE LYS A 9 1.511 4.874 10.113 1.00 0.00 C ATOM 127 NZ LYS A 9 0.734 6.002 10.699 1.00 0.00 N ATOM 0 H LYS A 9 4.490 0.963 10.217 1.00 0.00 H new ATOM 0 HA LYS A 9 2.139 0.823 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.329 0.394 10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.609 1.283 11.345 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.416 2.683 9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.228 2.250 11.473 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.388 4.072 12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.784 3.524 11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.479 5.240 9.770 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.988 4.489 9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.338 6.585 9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.040 5.624 11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.360 6.585 11.290 1.00 0.00 H new ATOM 141 N LYS A 10 2.114 3.169 7.706 1.00 0.00 N ATOM 142 CA LYS A 10 2.156 4.510 7.140 1.00 0.00 C ATOM 143 C LYS A 10 0.782 4.872 6.603 1.00 0.00 C ATOM 144 O LYS A 10 -0.173 4.116 6.780 1.00 0.00 O ATOM 145 CB LYS A 10 3.192 4.594 6.015 1.00 0.00 C ATOM 146 CG LYS A 10 4.101 5.806 6.111 1.00 0.00 C ATOM 147 CD LYS A 10 4.602 6.014 7.529 1.00 0.00 C ATOM 148 CE LYS A 10 6.118 6.106 7.578 1.00 0.00 C ATOM 149 NZ LYS A 10 6.583 7.497 7.833 1.00 0.00 N ATOM 0 H LYS A 10 1.448 2.546 7.249 1.00 0.00 H new ATOM 0 HA LYS A 10 2.444 5.212 7.922 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.803 3.691 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.673 4.615 5.056 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.950 5.680 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.562 6.694 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.168 6.926 7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.266 5.190 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.496 5.448 8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 10 6.534 5.752 6.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.330 7.744 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.785 8.155 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.959 7.565 8.800 1.00 0.00 H new ATOM 163 N GLU A 11 0.676 6.012 5.937 1.00 0.00 N ATOM 164 CA GLU A 11 -0.599 6.431 5.380 1.00 0.00 C ATOM 165 C GLU A 11 -0.813 5.796 4.016 1.00 0.00 C ATOM 166 O GLU A 11 -0.041 6.027 3.084 1.00 0.00 O ATOM 167 CB GLU A 11 -0.671 7.952 5.270 1.00 0.00 C ATOM 168 CG GLU A 11 0.279 8.678 6.208 1.00 0.00 C ATOM 169 CD GLU A 11 0.079 10.181 6.194 1.00 0.00 C ATOM 170 OE1 GLU A 11 -1.019 10.638 6.578 1.00 0.00 O ATOM 171 OE2 GLU A 11 1.020 10.902 5.800 1.00 0.00 O ATOM 0 H GLU A 11 1.449 6.657 5.771 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.390 6.098 6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.448 8.244 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.691 8.275 5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.136 8.306 7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.307 8.450 5.926 1.00 0.00 H new ATOM 178 N CYS A 12 -1.865 4.993 3.900 1.00 0.00 N ATOM 179 CA CYS A 12 -2.168 4.332 2.643 1.00 0.00 C ATOM 180 C CYS A 12 -2.353 5.368 1.545 1.00 0.00 C ATOM 181 O CYS A 12 -2.930 6.428 1.770 1.00 0.00 O ATOM 182 CB CYS A 12 -3.422 3.467 2.778 1.00 0.00 C ATOM 183 SG CYS A 12 -3.788 2.468 1.302 1.00 0.00 S ATOM 0 H CYS A 12 -2.516 4.787 4.657 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.334 3.682 2.379 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.304 2.803 3.634 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -4.275 4.111 2.990 1.00 0.00 H new ATOM 188 N TYR A 13 -1.839 5.079 0.362 1.00 0.00 N ATOM 189 CA TYR A 13 -1.951 6.017 -0.747 1.00 0.00 C ATOM 190 C TYR A 13 -2.705 5.379 -1.914 1.00 0.00 C ATOM 191 O TYR A 13 -2.117 4.676 -2.730 1.00 0.00 O ATOM 192 CB TYR A 13 -0.555 6.495 -1.185 1.00 0.00 C ATOM 193 CG TYR A 13 -0.085 7.740 -0.445 1.00 0.00 C ATOM 194 CD1 TYR A 13 -0.463 7.927 0.870 1.00 0.00 C ATOM 195 CD2 TYR A 13 0.667 8.754 -1.058 1.00 0.00 C ATOM 196 CE1 TYR A 13 -0.111 9.057 1.571 1.00 0.00 C ATOM 197 CE2 TYR A 13 1.006 9.899 -0.365 1.00 0.00 C ATOM 198 CZ TYR A 13 0.619 10.043 0.951 1.00 0.00 C ATOM 199 OH TYR A 13 0.946 11.183 1.647 1.00 0.00 O ATOM 0 H TYR A 13 -1.345 4.214 0.143 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.519 6.886 -0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.164 5.692 -1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.568 6.700 -2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.051 7.166 1.361 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.984 8.637 -2.084 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.407 9.169 2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.572 10.679 -0.852 1.00 0.00 H new ATOM 0 HH TYR A 13 0.850 11.963 1.061 1.00 0.00 H new ATOM 209 N TYR A 14 -4.019 5.609 -1.972 1.00 0.00 N ATOM 210 CA TYR A 14 -4.854 5.029 -3.029 1.00 0.00 C ATOM 211 C TYR A 14 -4.610 5.673 -4.395 1.00 0.00 C ATOM 212 O TYR A 14 -4.389 4.971 -5.380 1.00 0.00 O ATOM 213 CB TYR A 14 -6.334 5.144 -2.664 1.00 0.00 C ATOM 214 CG TYR A 14 -6.800 4.086 -1.690 1.00 0.00 C ATOM 215 CD1 TYR A 14 -6.587 4.236 -0.329 1.00 0.00 C ATOM 216 CD2 TYR A 14 -7.456 2.941 -2.129 1.00 0.00 C ATOM 217 CE1 TYR A 14 -7.012 3.279 0.573 1.00 0.00 C ATOM 218 CE2 TYR A 14 -7.885 1.979 -1.235 1.00 0.00 C ATOM 219 CZ TYR A 14 -7.659 2.152 0.114 1.00 0.00 C ATOM 220 OH TYR A 14 -8.085 1.196 1.008 1.00 0.00 O ATOM 0 H TYR A 14 -4.526 6.189 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.572 3.979 -3.107 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.518 6.129 -2.234 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.931 5.077 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.079 5.117 0.034 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.633 2.802 -3.185 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.838 3.413 1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.395 1.096 -1.591 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.062 1.227 1.079 1.00 0.00 H new ATOM 230 N ASN A 15 -4.668 7.001 -4.462 1.00 0.00 N ATOM 231 CA ASN A 15 -4.464 7.703 -5.729 1.00 0.00 C ATOM 232 C ASN A 15 -3.415 8.796 -5.585 1.00 0.00 C ATOM 233 O ASN A 15 -3.682 9.950 -5.873 1.00 0.00 O ATOM 234 CB ASN A 15 -5.781 8.307 -6.220 1.00 0.00 C ATOM 235 CG ASN A 15 -6.906 7.290 -6.257 1.00 0.00 C ATOM 236 OD1 ASN A 15 -8.012 7.553 -5.789 1.00 0.00 O ATOM 237 ND2 ASN A 15 -6.626 6.118 -6.817 1.00 0.00 N ATOM 0 H ASN A 15 -4.852 7.608 -3.664 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.108 6.978 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.064 9.134 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.637 8.722 -7.218 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -7.343 5.394 -6.871 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.694 5.942 -7.193 1.00 0.00 H new ATOM 244 N LEU A 16 -2.256 8.405 -5.060 1.00 0.00 N ATOM 245 CA LEU A 16 -1.129 9.289 -4.754 1.00 0.00 C ATOM 246 C LEU A 16 -0.167 9.586 -5.855 1.00 0.00 C ATOM 247 O LEU A 16 0.309 10.713 -5.955 1.00 0.00 O ATOM 248 CB LEU A 16 -0.343 8.704 -3.615 1.00 0.00 C ATOM 249 CG LEU A 16 0.568 7.483 -3.922 1.00 0.00 C ATOM 250 CD1 LEU A 16 -0.193 6.349 -4.583 1.00 0.00 C ATOM 251 CD2 LEU A 16 1.775 7.870 -4.749 1.00 0.00 C ATOM 0 H LEU A 16 -2.067 7.430 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.607 10.242 -4.527 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.282 9.493 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.047 8.410 -2.837 1.00 0.00 H new ATOM 0 HG LEU A 16 0.925 7.122 -2.958 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.487 5.519 -4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.994 6.015 -3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.619 6.697 -5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.384 6.986 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.445 8.295 -5.697 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.366 8.608 -4.207 1.00 0.00 H new ATOM 263 N ASN A 17 0.147 8.626 -6.649 1.00 0.00 N ATOM 264 CA ASN A 17 1.079 8.853 -7.710 1.00 0.00 C ATOM 265 C ASN A 17 2.525 8.903 -7.211 1.00 0.00 C ATOM 266 O ASN A 17 3.043 9.946 -6.822 1.00 0.00 O ATOM 267 CB ASN A 17 0.674 10.136 -8.445 1.00 0.00 C ATOM 268 CG ASN A 17 -0.798 10.095 -8.809 1.00 0.00 C ATOM 269 OD1 ASN A 17 -1.313 8.879 -9.002 1.00 0.00 O flip ATOM 270 ND2 ASN A 17 -1.460 11.128 -8.914 1.00 0.00 N flip ATOM 0 H ASN A 17 -0.222 7.677 -6.590 1.00 0.00 H new ATOM 0 HA ASN A 17 1.045 8.014 -8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.875 11.002 -7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.275 10.251 -9.347 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.019 12.034 -8.756 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.449 11.077 -9.159 1.00 0.00 H new ATOM 277 N ASP A 18 3.165 7.739 -7.283 1.00 0.00 N ATOM 278 CA ASP A 18 4.562 7.560 -6.916 1.00 0.00 C ATOM 279 C ASP A 18 4.932 8.224 -5.604 1.00 0.00 C ATOM 280 O ASP A 18 4.165 8.989 -5.022 1.00 0.00 O ATOM 281 CB ASP A 18 5.462 8.097 -8.030 1.00 0.00 C ATOM 282 CG ASP A 18 6.506 7.088 -8.468 1.00 0.00 C ATOM 283 OD1 ASP A 18 6.136 6.110 -9.151 1.00 0.00 O ATOM 284 OD2 ASP A 18 7.693 7.276 -8.128 1.00 0.00 O ATOM 0 H ASP A 18 2.717 6.880 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 18 4.712 6.489 -6.781 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.848 8.375 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.959 9.004 -7.686 1.00 0.00 H new ATOM 289 N ALA A 19 6.139 7.905 -5.163 1.00 0.00 N ATOM 290 CA ALA A 19 6.694 8.432 -3.933 1.00 0.00 C ATOM 291 C ALA A 19 7.271 9.825 -4.153 1.00 0.00 C ATOM 292 O ALA A 19 8.408 10.108 -3.779 1.00 0.00 O ATOM 293 CB ALA A 19 7.761 7.481 -3.440 1.00 0.00 C ATOM 0 H ALA A 19 6.764 7.267 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 19 5.907 8.520 -3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.189 7.864 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.319 6.501 -3.258 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.545 7.392 -4.192 1.00 0.00 H new ATOM 299 N SER A 20 6.474 10.685 -4.772 1.00 0.00 N ATOM 300 CA SER A 20 6.884 12.050 -5.059 1.00 0.00 C ATOM 301 C SER A 20 5.700 12.839 -5.591 1.00 0.00 C ATOM 302 O SER A 20 5.260 13.812 -4.978 1.00 0.00 O ATOM 303 CB SER A 20 8.037 12.060 -6.060 1.00 0.00 C ATOM 304 OG SER A 20 7.615 11.598 -7.332 1.00 0.00 O ATOM 0 H SER A 20 5.531 10.457 -5.087 1.00 0.00 H new ATOM 0 HA SER A 20 7.233 12.520 -4.139 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.435 13.071 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.847 11.431 -5.692 1.00 0.00 H new ATOM 0 HG SER A 20 8.372 11.616 -7.954 1.00 0.00 H new ATOM 310 N LEU A 21 5.168 12.393 -6.721 1.00 0.00 N ATOM 311 CA LEU A 21 4.002 13.037 -7.320 1.00 0.00 C ATOM 312 C LEU A 21 3.039 13.439 -6.202 1.00 0.00 C ATOM 313 O LEU A 21 2.642 14.599 -6.097 1.00 0.00 O ATOM 314 CB LEU A 21 3.326 12.098 -8.323 1.00 0.00 C ATOM 315 CG LEU A 21 4.222 10.983 -8.877 1.00 0.00 C ATOM 316 CD1 LEU A 21 3.431 10.026 -9.747 1.00 0.00 C ATOM 317 CD2 LEU A 21 5.368 11.573 -9.671 1.00 0.00 C ATOM 0 H LEU A 21 5.522 11.591 -7.242 1.00 0.00 H new ATOM 0 HA LEU A 21 4.309 13.928 -7.867 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.460 11.642 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.953 12.691 -9.158 1.00 0.00 H new ATOM 0 HG LEU A 21 4.623 10.426 -8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.093 9.247 -10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.635 9.571 -9.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.996 10.571 -10.585 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.995 10.769 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 21 4.972 12.156 -10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.963 12.219 -9.026 1.00 0.00 H new ATOM 329 N CYS A 22 2.740 12.479 -5.323 1.00 0.00 N ATOM 330 CA CYS A 22 1.908 12.736 -4.145 1.00 0.00 C ATOM 331 C CYS A 22 0.445 13.048 -4.458 1.00 0.00 C ATOM 332 O CYS A 22 0.126 14.133 -4.945 1.00 0.00 O ATOM 333 CB CYS A 22 2.517 13.915 -3.405 1.00 0.00 C ATOM 334 SG CYS A 22 3.482 13.471 -1.922 1.00 0.00 S ATOM 0 H CYS A 22 3.063 11.515 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 22 1.895 11.822 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.163 14.462 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.717 14.594 -3.111 1.00 0.00 H new ATOM 339 N ASP A 23 -0.449 12.105 -4.148 1.00 0.00 N ATOM 340 CA ASP A 23 -1.875 12.319 -4.374 1.00 0.00 C ATOM 341 C ASP A 23 -2.766 11.493 -3.402 1.00 0.00 C ATOM 342 O ASP A 23 -3.083 10.301 -3.643 1.00 0.00 O ATOM 343 CB ASP A 23 -2.198 12.038 -5.834 1.00 0.00 C ATOM 344 CG ASP A 23 -3.621 12.416 -6.202 1.00 0.00 C ATOM 345 OD1 ASP A 23 -4.278 13.109 -5.397 1.00 0.00 O ATOM 346 OD2 ASP A 23 -4.077 12.019 -7.295 1.00 0.00 O ATOM 0 H ASP A 23 -0.212 11.198 -3.745 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.107 13.361 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -1.504 12.590 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.043 10.979 -6.039 1.00 0.00 H new ATOM 351 N ASN A 24 -3.157 12.122 -2.302 1.00 0.00 N ATOM 352 CA ASN A 24 -3.987 11.462 -1.301 1.00 0.00 C ATOM 353 C ASN A 24 -5.463 11.763 -1.532 1.00 0.00 C ATOM 354 O ASN A 24 -5.812 12.612 -2.352 1.00 0.00 O ATOM 355 CB ASN A 24 -3.578 11.911 0.104 1.00 0.00 C ATOM 356 CG ASN A 24 -3.991 10.918 1.173 1.00 0.00 C ATOM 357 OD1 ASN A 24 -3.985 9.707 0.948 1.00 0.00 O ATOM 358 ND2 ASN A 24 -4.352 11.426 2.346 1.00 0.00 N ATOM 0 H ASN A 24 -2.914 13.087 -2.079 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.836 10.386 -1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.497 12.048 0.138 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.029 12.880 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.639 10.806 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.342 12.436 2.489 1.00 0.00 H new ATOM 365 N VAL A 25 -6.327 11.062 -0.805 1.00 0.00 N ATOM 366 CA VAL A 25 -7.765 11.262 -0.935 1.00 0.00 C ATOM 367 C VAL A 25 -8.528 10.561 0.184 1.00 0.00 C ATOM 368 O VAL A 25 -9.367 11.168 0.853 1.00 0.00 O ATOM 369 CB VAL A 25 -8.283 10.759 -2.299 1.00 0.00 C ATOM 370 CG1 VAL A 25 -8.466 9.250 -2.291 1.00 0.00 C ATOM 371 CG2 VAL A 25 -9.584 11.457 -2.665 1.00 0.00 C ATOM 0 H VAL A 25 -6.058 10.353 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.940 12.336 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.536 11.001 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.832 8.923 -3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.511 8.769 -2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.187 8.975 -1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.935 11.090 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -10.335 11.249 -1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.416 12.532 -2.725 1.00 0.00 H new ATOM 381 N LEU A 26 -8.229 9.286 0.385 1.00 0.00 N ATOM 382 CA LEU A 26 -8.880 8.501 1.425 1.00 0.00 C ATOM 383 C LEU A 26 -8.068 7.248 1.719 1.00 0.00 C ATOM 384 O LEU A 26 -8.015 6.324 0.909 1.00 0.00 O ATOM 385 CB LEU A 26 -10.305 8.128 1.002 1.00 0.00 C ATOM 386 CG LEU A 26 -10.439 6.814 0.229 1.00 0.00 C ATOM 387 CD1 LEU A 26 -10.474 5.633 1.187 1.00 0.00 C ATOM 388 CD2 LEU A 26 -11.688 6.835 -0.639 1.00 0.00 C ATOM 0 H LEU A 26 -7.537 8.771 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.938 9.102 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.927 8.069 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -10.706 8.934 0.387 1.00 0.00 H new ATOM 0 HG LEU A 26 -9.570 6.704 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.570 4.707 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.552 5.609 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.325 5.736 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -11.769 5.894 -1.182 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.567 6.967 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -11.624 7.659 -1.349 1.00 0.00 H new ATOM 400 N ALA A 27 -7.416 7.229 2.873 1.00 0.00 N ATOM 401 CA ALA A 27 -6.595 6.093 3.248 1.00 0.00 C ATOM 402 C ALA A 27 -6.191 6.149 4.716 1.00 0.00 C ATOM 403 O ALA A 27 -5.803 7.200 5.226 1.00 0.00 O ATOM 404 CB ALA A 27 -5.362 6.053 2.375 1.00 0.00 C ATOM 0 H ALA A 27 -7.441 7.983 3.560 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.183 5.187 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.745 5.200 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.659 5.958 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.792 6.973 2.508 1.00 0.00 H new ATOM 410 N PRO A 28 -6.269 5.007 5.412 1.00 0.00 N ATOM 411 CA PRO A 28 -5.905 4.907 6.821 1.00 0.00 C ATOM 412 C PRO A 28 -4.425 4.595 7.006 1.00 0.00 C ATOM 413 O PRO A 28 -3.725 4.283 6.042 1.00 0.00 O ATOM 414 CB PRO A 28 -6.752 3.727 7.280 1.00 0.00 C ATOM 415 CG PRO A 28 -6.774 2.819 6.095 1.00 0.00 C ATOM 416 CD PRO A 28 -6.715 3.708 4.874 1.00 0.00 C ATOM 0 HA PRO A 28 -6.073 5.832 7.373 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.316 3.237 8.151 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.757 4.042 7.561 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.928 2.132 6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.678 2.211 6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.018 3.322 4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.688 3.788 4.389 1.00 0.00 H new ATOM 424 N ASN A 29 -3.951 4.661 8.246 1.00 0.00 N ATOM 425 CA ASN A 29 -2.553 4.358 8.534 1.00 0.00 C ATOM 426 C ASN A 29 -2.400 2.874 8.834 1.00 0.00 C ATOM 427 O ASN A 29 -2.817 2.397 9.890 1.00 0.00 O ATOM 428 CB ASN A 29 -2.031 5.191 9.710 1.00 0.00 C ATOM 429 CG ASN A 29 -3.068 6.150 10.261 1.00 0.00 C ATOM 430 OD1 ASN A 29 -3.675 5.897 11.301 1.00 0.00 O ATOM 431 ND2 ASN A 29 -3.279 7.261 9.562 1.00 0.00 N ATOM 0 H ASN A 29 -4.508 4.919 9.061 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.961 4.615 7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.704 4.522 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.156 5.756 9.388 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.966 7.943 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.754 7.432 8.705 1.00 0.00 H new ATOM 438 N VAL A 30 -1.821 2.139 7.890 1.00 0.00 N ATOM 439 CA VAL A 30 -1.642 0.702 8.051 1.00 0.00 C ATOM 440 C VAL A 30 -0.322 0.225 7.464 1.00 0.00 C ATOM 441 O VAL A 30 0.542 1.026 7.107 1.00 0.00 O ATOM 442 CB VAL A 30 -2.786 -0.069 7.367 1.00 0.00 C ATOM 443 CG1 VAL A 30 -4.127 0.568 7.690 1.00 0.00 C ATOM 444 CG2 VAL A 30 -2.573 -0.121 5.860 1.00 0.00 C ATOM 0 H VAL A 30 -1.469 2.514 7.009 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.644 0.506 9.123 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.786 -1.089 7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.923 0.009 7.198 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.286 0.553 8.768 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.135 1.599 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.392 -0.670 5.396 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.544 0.893 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.630 -0.623 5.643 1.00 0.00 H new ATOM 454 N THR A 31 -0.188 -1.092 7.351 1.00 0.00 N ATOM 455 CA THR A 31 1.010 -1.696 6.790 1.00 0.00 C ATOM 456 C THR A 31 0.855 -1.866 5.284 1.00 0.00 C ATOM 457 O THR A 31 -0.167 -2.362 4.810 1.00 0.00 O ATOM 458 CB THR A 31 1.284 -3.050 7.445 1.00 0.00 C ATOM 459 OG1 THR A 31 0.093 -3.604 7.973 1.00 0.00 O ATOM 460 CG2 THR A 31 2.295 -2.977 8.570 1.00 0.00 C ATOM 0 H THR A 31 -0.899 -1.762 7.643 1.00 0.00 H new ATOM 0 HA THR A 31 1.855 -1.037 6.987 1.00 0.00 H new ATOM 0 HB THR A 31 1.691 -3.676 6.651 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.290 -4.471 8.386 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.443 -3.971 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.243 -2.602 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.928 -2.305 9.346 1.00 0.00 H new ATOM 468 N LYS A 32 1.871 -1.442 4.543 1.00 0.00 N ATOM 469 CA LYS A 32 1.862 -1.533 3.087 1.00 0.00 C ATOM 470 C LYS A 32 1.040 -2.723 2.604 1.00 0.00 C ATOM 471 O LYS A 32 0.144 -2.575 1.774 1.00 0.00 O ATOM 472 CB LYS A 32 3.293 -1.644 2.570 1.00 0.00 C ATOM 473 CG LYS A 32 3.405 -1.593 1.057 1.00 0.00 C ATOM 474 CD LYS A 32 4.793 -1.997 0.589 1.00 0.00 C ATOM 475 CE LYS A 32 5.876 -1.423 1.488 1.00 0.00 C ATOM 476 NZ LYS A 32 7.112 -1.087 0.728 1.00 0.00 N ATOM 0 H LYS A 32 2.719 -1.028 4.930 1.00 0.00 H new ATOM 0 HA LYS A 32 1.398 -0.628 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.887 -0.835 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.726 -2.579 2.925 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.663 -2.256 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.181 -0.585 0.708 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.870 -3.084 0.574 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.948 -1.652 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.500 -0.527 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.116 -2.142 2.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.917 -1.027 1.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.296 -1.827 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.987 -0.173 0.248 1.00 0.00 H new ATOM 490 N GLN A 33 1.351 -3.901 3.128 1.00 0.00 N ATOM 491 CA GLN A 33 0.640 -5.112 2.748 1.00 0.00 C ATOM 492 C GLN A 33 -0.864 -4.874 2.709 1.00 0.00 C ATOM 493 O GLN A 33 -1.479 -4.920 1.645 1.00 0.00 O ATOM 494 CB GLN A 33 0.967 -6.245 3.719 1.00 0.00 C ATOM 495 CG GLN A 33 2.456 -6.507 3.857 1.00 0.00 C ATOM 496 CD GLN A 33 2.790 -7.986 3.860 1.00 0.00 C ATOM 497 OE1 GLN A 33 2.236 -8.719 2.902 1.00 0.00 O flip ATOM 498 NE2 GLN A 33 3.538 -8.464 4.713 1.00 0.00 N flip ATOM 0 H GLN A 33 2.090 -4.043 3.816 1.00 0.00 H new ATOM 0 HA GLN A 33 0.967 -5.396 1.748 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.555 -6.004 4.699 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.474 -7.157 3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.984 -6.021 3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.817 -6.055 4.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.942 -7.863 5.431 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.754 -9.461 4.701 1.00 0.00 H new ATOM 507 N GLU A 34 -1.451 -4.622 3.874 1.00 0.00 N ATOM 508 CA GLU A 34 -2.886 -4.382 3.972 1.00 0.00 C ATOM 509 C GLU A 34 -3.337 -3.310 2.985 1.00 0.00 C ATOM 510 O GLU A 34 -4.221 -3.542 2.156 1.00 0.00 O ATOM 511 CB GLU A 34 -3.256 -3.966 5.398 1.00 0.00 C ATOM 512 CG GLU A 34 -2.548 -4.776 6.472 1.00 0.00 C ATOM 513 CD GLU A 34 -2.265 -6.200 6.038 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.152 -6.818 5.412 1.00 0.00 O ATOM 515 OE2 GLU A 34 -1.156 -6.699 6.324 1.00 0.00 O ATOM 0 H GLU A 34 -0.955 -4.579 4.764 1.00 0.00 H new ATOM 0 HA GLU A 34 -3.398 -5.311 3.723 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.017 -2.911 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.333 -4.068 5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.609 -4.286 6.731 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.160 -4.790 7.374 1.00 0.00 H new ATOM 522 N CYS A 35 -2.727 -2.133 3.078 1.00 0.00 N ATOM 523 CA CYS A 35 -3.076 -1.033 2.193 1.00 0.00 C ATOM 524 C CYS A 35 -2.971 -1.458 0.733 1.00 0.00 C ATOM 525 O CYS A 35 -3.982 -1.654 0.060 1.00 0.00 O ATOM 526 CB CYS A 35 -2.177 0.177 2.455 1.00 0.00 C ATOM 527 SG CYS A 35 -2.108 1.357 1.067 1.00 0.00 S ATOM 0 H CYS A 35 -1.993 -1.919 3.754 1.00 0.00 H new ATOM 0 HA CYS A 35 -4.109 -0.751 2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.533 0.697 3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.168 -0.172 2.673 1.00 0.00 H new ATOM 532 N CYS A 36 -1.742 -1.599 0.249 1.00 0.00 N ATOM 533 CA CYS A 36 -1.512 -2.000 -1.132 1.00 0.00 C ATOM 534 C CYS A 36 -2.475 -3.110 -1.539 1.00 0.00 C ATOM 535 O CYS A 36 -2.899 -3.179 -2.692 1.00 0.00 O ATOM 536 CB CYS A 36 -0.064 -2.452 -1.322 1.00 0.00 C ATOM 537 SG CYS A 36 1.165 -1.142 -1.009 1.00 0.00 S ATOM 0 H CYS A 36 -0.893 -1.442 0.791 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.694 -1.138 -1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.135 -3.291 -0.655 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.061 -2.819 -2.341 1.00 0.00 H new ATOM 542 N CYS A 37 -2.830 -3.970 -0.588 1.00 0.00 N ATOM 543 CA CYS A 37 -3.756 -5.060 -0.866 1.00 0.00 C ATOM 544 C CYS A 37 -5.020 -4.515 -1.514 1.00 0.00 C ATOM 545 O CYS A 37 -5.383 -4.908 -2.624 1.00 0.00 O ATOM 546 CB CYS A 37 -4.115 -5.807 0.417 1.00 0.00 C ATOM 547 SG CYS A 37 -4.565 -7.558 0.175 1.00 0.00 S ATOM 0 H CYS A 37 -2.493 -3.933 0.374 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.270 -5.757 -1.549 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.268 -5.754 1.102 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -4.947 -5.295 0.899 1.00 0.00 H new ATOM 552 N THR A 38 -5.684 -3.598 -0.815 1.00 0.00 N ATOM 553 CA THR A 38 -6.904 -2.988 -1.331 1.00 0.00 C ATOM 554 C THR A 38 -6.731 -2.607 -2.798 1.00 0.00 C ATOM 555 O THR A 38 -7.703 -2.538 -3.550 1.00 0.00 O ATOM 556 CB THR A 38 -7.271 -1.752 -0.509 1.00 0.00 C ATOM 557 OG1 THR A 38 -6.717 -1.833 0.792 1.00 0.00 O ATOM 558 CG2 THR A 38 -8.764 -1.553 -0.361 1.00 0.00 C ATOM 0 H THR A 38 -5.399 -3.263 0.105 1.00 0.00 H new ATOM 0 HA THR A 38 -7.712 -3.716 -1.251 1.00 0.00 H new ATOM 0 HB THR A 38 -6.861 -0.906 -1.061 1.00 0.00 H new ATOM 0 HG1 THR A 38 -5.759 -1.629 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.955 -0.659 0.233 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.215 -1.437 -1.347 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.199 -2.419 0.138 1.00 0.00 H new ATOM 566 N SER A 39 -5.482 -2.362 -3.193 1.00 0.00 N ATOM 567 CA SER A 39 -5.156 -1.990 -4.568 1.00 0.00 C ATOM 568 C SER A 39 -5.495 -0.530 -4.840 1.00 0.00 C ATOM 569 O SER A 39 -6.593 -0.211 -5.298 1.00 0.00 O ATOM 570 CB SER A 39 -5.891 -2.894 -5.561 1.00 0.00 C ATOM 571 OG SER A 39 -5.513 -2.600 -6.895 1.00 0.00 O ATOM 0 H SER A 39 -4.673 -2.415 -2.573 1.00 0.00 H new ATOM 0 HA SER A 39 -4.082 -2.121 -4.700 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.671 -3.938 -5.339 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.967 -2.764 -5.448 1.00 0.00 H new ATOM 0 HG SER A 39 -5.267 -3.429 -7.356 1.00 0.00 H new ATOM 577 N GLY A 40 -4.547 0.355 -4.550 1.00 0.00 N ATOM 578 CA GLY A 40 -4.768 1.770 -4.764 1.00 0.00 C ATOM 579 C GLY A 40 -3.800 2.394 -5.759 1.00 0.00 C ATOM 580 O GLY A 40 -4.072 2.447 -6.959 1.00 0.00 O ATOM 0 H GLY A 40 -3.631 0.116 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.788 1.920 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.682 2.291 -3.810 1.00 0.00 H new ATOM 584 N ALA A 41 -2.676 2.880 -5.244 1.00 0.00 N ATOM 585 CA ALA A 41 -1.649 3.527 -6.056 1.00 0.00 C ATOM 586 C ALA A 41 -0.274 3.379 -5.402 1.00 0.00 C ATOM 587 O ALA A 41 0.738 3.211 -6.080 1.00 0.00 O ATOM 588 CB ALA A 41 -1.992 4.992 -6.261 1.00 0.00 C ATOM 0 H ALA A 41 -2.450 2.837 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.614 3.039 -7.030 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.220 5.465 -6.868 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.953 5.073 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.050 5.491 -5.294 1.00 0.00 H new ATOM 594 N GLY A 42 -0.264 3.454 -4.067 1.00 0.00 N ATOM 595 CA GLY A 42 0.963 3.337 -3.296 1.00 0.00 C ATOM 596 C GLY A 42 0.696 3.392 -1.798 1.00 0.00 C ATOM 597 O GLY A 42 -0.439 3.606 -1.373 1.00 0.00 O ATOM 0 H GLY A 42 -1.101 3.596 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.459 2.398 -3.543 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.645 4.141 -3.574 1.00 0.00 H new ATOM 601 N TRP A 43 1.742 3.202 -0.997 1.00 0.00 N ATOM 602 CA TRP A 43 1.618 3.234 0.461 1.00 0.00 C ATOM 603 C TRP A 43 2.886 3.785 1.105 1.00 0.00 C ATOM 604 O TRP A 43 3.976 3.251 0.899 1.00 0.00 O ATOM 605 CB TRP A 43 1.336 1.829 1.000 1.00 0.00 C ATOM 606 CG TRP A 43 1.396 1.731 2.498 1.00 0.00 C ATOM 607 CD1 TRP A 43 0.342 1.764 3.368 1.00 0.00 C ATOM 608 CD2 TRP A 43 2.572 1.576 3.302 1.00 0.00 C ATOM 609 NE1 TRP A 43 0.792 1.636 4.660 1.00 0.00 N ATOM 610 CE2 TRP A 43 2.158 1.520 4.645 1.00 0.00 C ATOM 611 CE3 TRP A 43 3.935 1.478 3.017 1.00 0.00 C ATOM 612 CZ2 TRP A 43 3.061 1.368 5.697 1.00 0.00 C ATOM 613 CZ3 TRP A 43 4.828 1.329 4.061 1.00 0.00 C ATOM 614 CH2 TRP A 43 4.387 1.275 5.385 1.00 0.00 C ATOM 0 H TRP A 43 2.688 3.024 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 43 0.786 3.891 0.713 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.349 1.512 0.664 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.057 1.134 0.571 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -0.693 1.875 3.082 1.00 0.00 H new ATOM 0 HE1 TRP A 43 0.205 1.629 5.494 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.286 1.518 1.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.723 1.325 6.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.884 1.253 3.850 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.110 1.157 6.179 1.00 0.00 H new ATOM 625 N GLY A 44 2.744 4.864 1.873 1.00 0.00 N ATOM 626 CA GLY A 44 3.897 5.457 2.520 1.00 0.00 C ATOM 627 C GLY A 44 3.592 6.761 3.223 1.00 0.00 C ATOM 628 O GLY A 44 2.466 6.996 3.672 1.00 0.00 O ATOM 0 H GLY A 44 1.857 5.333 2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.301 4.749 3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.673 5.629 1.774 1.00 0.00 H new ATOM 632 N ASP A 45 4.612 7.603 3.328 1.00 0.00 N ATOM 633 CA ASP A 45 4.482 8.898 3.984 1.00 0.00 C ATOM 634 C ASP A 45 4.703 10.036 2.990 1.00 0.00 C ATOM 635 O ASP A 45 5.834 10.312 2.589 1.00 0.00 O ATOM 636 CB ASP A 45 5.475 9.012 5.142 1.00 0.00 C ATOM 637 CG ASP A 45 6.866 8.543 4.762 1.00 0.00 C ATOM 638 OD1 ASP A 45 7.004 7.381 4.328 1.00 0.00 O ATOM 639 OD2 ASP A 45 7.818 9.341 4.899 1.00 0.00 O ATOM 0 H ASP A 45 5.545 7.410 2.964 1.00 0.00 H new ATOM 0 HA ASP A 45 3.469 8.977 4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.523 10.049 5.475 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.114 8.423 5.985 1.00 0.00 H new ATOM 644 N ASN A 46 3.604 10.685 2.608 1.00 0.00 N ATOM 645 CA ASN A 46 3.621 11.804 1.663 1.00 0.00 C ATOM 646 C ASN A 46 4.912 11.890 0.855 1.00 0.00 C ATOM 647 O ASN A 46 5.961 12.284 1.364 1.00 0.00 O ATOM 648 CB ASN A 46 3.383 13.120 2.399 1.00 0.00 C ATOM 649 CG ASN A 46 1.992 13.677 2.159 1.00 0.00 C ATOM 650 OD1 ASN A 46 1.523 13.606 0.915 1.00 0.00 O flip ATOM 651 ND2 ASN A 46 1.341 14.165 3.083 1.00 0.00 N flip ATOM 0 H ASN A 46 2.671 10.449 2.946 1.00 0.00 H new ATOM 0 HA ASN A 46 2.815 11.620 0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.530 12.966 3.468 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.124 13.852 2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.737 14.201 4.022 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.406 14.534 2.909 1.00 0.00 H new ATOM 658 N CYS A 47 4.803 11.547 -0.421 1.00 0.00 N ATOM 659 CA CYS A 47 5.925 11.604 -1.347 1.00 0.00 C ATOM 660 C CYS A 47 7.019 10.603 -0.974 1.00 0.00 C ATOM 661 O CYS A 47 8.113 10.622 -1.536 1.00 0.00 O ATOM 662 CB CYS A 47 6.469 13.030 -1.416 1.00 0.00 C ATOM 663 SG CYS A 47 5.352 14.200 -2.274 1.00 0.00 S ATOM 0 H CYS A 47 3.934 11.221 -0.843 1.00 0.00 H new ATOM 0 HA CYS A 47 5.568 11.320 -2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.650 13.390 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.432 13.018 -1.927 1.00 0.00 H new ATOM 668 N GLU A 48 6.690 9.707 -0.054 1.00 0.00 N ATOM 669 CA GLU A 48 7.604 8.653 0.374 1.00 0.00 C ATOM 670 C GLU A 48 6.845 7.334 0.325 1.00 0.00 C ATOM 671 O GLU A 48 6.861 6.538 1.264 1.00 0.00 O ATOM 672 CB GLU A 48 8.127 8.920 1.786 1.00 0.00 C ATOM 673 CG GLU A 48 8.728 10.305 1.961 1.00 0.00 C ATOM 674 CD GLU A 48 9.542 10.743 0.759 1.00 0.00 C ATOM 675 OE1 GLU A 48 10.392 9.952 0.297 1.00 0.00 O ATOM 676 OE2 GLU A 48 9.330 11.876 0.280 1.00 0.00 O ATOM 0 H GLU A 48 5.785 9.689 0.417 1.00 0.00 H new ATOM 0 HA GLU A 48 8.470 8.619 -0.287 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.310 8.795 2.497 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.881 8.172 2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.928 11.025 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.363 10.312 2.847 1.00 0.00 H new ATOM 683 N ILE A 49 6.124 7.171 -0.775 1.00 0.00 N ATOM 684 CA ILE A 49 5.262 6.024 -1.014 1.00 0.00 C ATOM 685 C ILE A 49 5.882 4.975 -1.929 1.00 0.00 C ATOM 686 O ILE A 49 6.852 5.233 -2.636 1.00 0.00 O ATOM 687 CB ILE A 49 3.976 6.527 -1.687 1.00 0.00 C ATOM 688 CG1 ILE A 49 3.524 7.822 -1.026 1.00 0.00 C ATOM 689 CG2 ILE A 49 2.876 5.487 -1.650 1.00 0.00 C ATOM 690 CD1 ILE A 49 3.405 8.973 -2.000 1.00 0.00 C ATOM 0 H ILE A 49 6.122 7.845 -1.540 1.00 0.00 H new ATOM 0 HA ILE A 49 5.083 5.552 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 49 4.194 6.719 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.560 7.660 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.232 8.089 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.984 5.883 -2.136 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.206 4.589 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.644 5.239 -0.614 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.079 9.867 -1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.374 9.159 -2.464 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.676 8.723 -2.771 1.00 0.00 H new ATOM 702 N PHE A 50 5.263 3.799 -1.936 1.00 0.00 N ATOM 703 CA PHE A 50 5.687 2.705 -2.796 1.00 0.00 C ATOM 704 C PHE A 50 4.548 2.367 -3.752 1.00 0.00 C ATOM 705 O PHE A 50 3.484 1.910 -3.325 1.00 0.00 O ATOM 706 CB PHE A 50 6.071 1.468 -1.981 1.00 0.00 C ATOM 707 CG PHE A 50 6.964 1.763 -0.813 1.00 0.00 C ATOM 708 CD1 PHE A 50 8.329 1.932 -0.983 1.00 0.00 C ATOM 709 CD2 PHE A 50 6.435 1.860 0.459 1.00 0.00 C ATOM 710 CE1 PHE A 50 9.147 2.194 0.099 1.00 0.00 C ATOM 711 CE2 PHE A 50 7.246 2.124 1.545 1.00 0.00 C ATOM 712 CZ PHE A 50 8.604 2.290 1.366 1.00 0.00 C ATOM 0 H PHE A 50 4.458 3.580 -1.349 1.00 0.00 H new ATOM 0 HA PHE A 50 6.570 3.017 -3.353 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.162 0.987 -1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.570 0.754 -2.636 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.758 1.858 -1.972 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.373 1.728 0.606 1.00 0.00 H new ATOM 0 HE1 PHE A 50 10.209 2.324 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.818 2.200 2.534 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.241 2.494 2.214 1.00 0.00 H new ATOM 722 N PRO A 51 4.745 2.617 -5.053 1.00 0.00 N ATOM 723 CA PRO A 51 3.727 2.367 -6.079 1.00 0.00 C ATOM 724 C PRO A 51 3.092 0.984 -5.971 1.00 0.00 C ATOM 725 O PRO A 51 3.715 -0.025 -6.302 1.00 0.00 O ATOM 726 CB PRO A 51 4.512 2.497 -7.383 1.00 0.00 C ATOM 727 CG PRO A 51 5.607 3.453 -7.061 1.00 0.00 C ATOM 728 CD PRO A 51 5.976 3.193 -5.626 1.00 0.00 C ATOM 0 HA PRO A 51 2.888 3.057 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.907 1.534 -7.707 1.00 0.00 H new ATOM 0 HB3 PRO A 51 3.882 2.871 -8.190 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.463 3.301 -7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.279 4.483 -7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 51 6.817 2.504 -5.546 1.00 0.00 H new ATOM 0 HD3 PRO A 51 6.266 4.110 -5.114 1.00 0.00 H new ATOM 736 N CYS A 52 1.840 0.948 -5.518 1.00 0.00 N ATOM 737 CA CYS A 52 1.111 -0.306 -5.383 1.00 0.00 C ATOM 738 C CYS A 52 -0.388 -0.108 -5.572 1.00 0.00 C ATOM 739 O CYS A 52 -0.964 0.927 -5.194 1.00 0.00 O ATOM 740 CB CYS A 52 1.374 -0.949 -4.024 1.00 0.00 C ATOM 741 SG CYS A 52 0.970 0.108 -2.598 1.00 0.00 S ATOM 0 H CYS A 52 1.312 1.775 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 52 1.473 -0.970 -6.168 1.00 0.00 H new ATOM 0 HB2 CYS A 52 0.795 -1.870 -3.954 1.00 0.00 H new ATOM 0 HB3 CYS A 52 2.426 -1.229 -3.966 1.00 0.00 H new ATOM 746 N PRO A 53 -1.037 -1.116 -6.169 1.00 0.00 N ATOM 747 CA PRO A 53 -0.383 -2.341 -6.620 1.00 0.00 C ATOM 748 C PRO A 53 0.019 -2.291 -8.088 1.00 0.00 C ATOM 749 O PRO A 53 -0.081 -1.252 -8.742 1.00 0.00 O ATOM 750 CB PRO A 53 -1.498 -3.356 -6.429 1.00 0.00 C ATOM 751 CG PRO A 53 -2.733 -2.605 -6.802 1.00 0.00 C ATOM 752 CD PRO A 53 -2.474 -1.153 -6.456 1.00 0.00 C ATOM 0 HA PRO A 53 0.544 -2.547 -6.085 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.355 -4.231 -7.063 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -1.542 -3.712 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.950 -2.718 -7.864 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.598 -2.985 -6.258 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.735 -0.492 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.063 -0.835 -5.595 1.00 0.00 H new ATOM 760 N VAL A 54 0.451 -3.436 -8.602 1.00 0.00 N ATOM 761 CA VAL A 54 0.845 -3.557 -9.996 1.00 0.00 C ATOM 762 C VAL A 54 -0.089 -4.525 -10.723 1.00 0.00 C ATOM 763 O VAL A 54 -0.070 -4.626 -11.949 1.00 0.00 O ATOM 764 CB VAL A 54 2.300 -4.047 -10.132 1.00 0.00 C ATOM 765 CG1 VAL A 54 2.714 -4.101 -11.596 1.00 0.00 C ATOM 766 CG2 VAL A 54 3.239 -3.151 -9.340 1.00 0.00 C ATOM 0 H VAL A 54 0.537 -4.300 -8.067 1.00 0.00 H new ATOM 0 HA VAL A 54 0.774 -2.567 -10.447 1.00 0.00 H new ATOM 0 HB VAL A 54 2.363 -5.056 -9.724 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.744 -4.449 -11.670 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.060 -4.787 -12.134 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.635 -3.106 -12.033 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.262 -3.511 -9.447 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.172 -2.130 -9.717 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.957 -3.168 -8.287 1.00 0.00 H new ATOM 776 N LEU A 55 -0.912 -5.229 -9.945 1.00 0.00 N ATOM 777 CA LEU A 55 -1.868 -6.187 -10.490 1.00 0.00 C ATOM 778 C LEU A 55 -1.164 -7.417 -11.047 1.00 0.00 C ATOM 779 O LEU A 55 -0.273 -7.310 -11.890 1.00 0.00 O ATOM 780 CB LEU A 55 -2.716 -5.530 -11.581 1.00 0.00 C ATOM 781 CG LEU A 55 -4.183 -5.295 -11.209 1.00 0.00 C ATOM 782 CD1 LEU A 55 -4.322 -5.036 -9.716 1.00 0.00 C ATOM 783 CD2 LEU A 55 -4.754 -4.135 -12.010 1.00 0.00 C ATOM 0 H LEU A 55 -0.933 -5.151 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.518 -6.508 -9.676 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.266 -4.573 -11.843 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.679 -6.154 -12.474 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.749 -6.194 -11.453 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.371 -4.871 -9.471 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.951 -5.898 -9.161 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.743 -4.153 -9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.797 -3.981 -11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.185 -3.230 -11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.690 -4.361 -13.074 1.00 0.00 H new ATOM 795 N GLY A 56 -1.574 -8.588 -10.567 1.00 0.00 N ATOM 796 CA GLY A 56 -0.976 -9.827 -11.024 1.00 0.00 C ATOM 797 C GLY A 56 0.508 -9.684 -11.285 1.00 0.00 C ATOM 798 O GLY A 56 1.028 -10.220 -12.264 1.00 0.00 O ATOM 0 H GLY A 56 -2.310 -8.699 -9.870 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.138 -10.604 -10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.474 -10.154 -11.937 1.00 0.00 H new ATOM 802 N THR A 57 1.193 -8.957 -10.409 1.00 0.00 N ATOM 803 CA THR A 57 2.627 -8.745 -10.554 1.00 0.00 C ATOM 804 C THR A 57 3.344 -8.884 -9.218 1.00 0.00 C ATOM 805 O THR A 57 2.730 -8.796 -8.154 1.00 0.00 O ATOM 806 CB THR A 57 2.903 -7.367 -11.154 1.00 0.00 C ATOM 807 OG1 THR A 57 1.758 -6.540 -11.051 1.00 0.00 O ATOM 808 CG2 THR A 57 3.303 -7.418 -12.613 1.00 0.00 C ATOM 0 H THR A 57 0.779 -8.506 -9.593 1.00 0.00 H new ATOM 0 HA THR A 57 3.011 -9.511 -11.227 1.00 0.00 H new ATOM 0 HB THR A 57 3.737 -6.963 -10.580 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.154 -6.723 -11.800 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.484 -6.406 -12.976 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.212 -8.010 -12.721 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.502 -7.874 -13.194 1.00 0.00 H new ATOM 816 N ALA A 58 4.651 -9.104 -9.290 1.00 0.00 N ATOM 817 CA ALA A 58 5.484 -9.264 -8.104 1.00 0.00 C ATOM 818 C ALA A 58 4.954 -8.470 -6.915 1.00 0.00 C ATOM 819 O ALA A 58 4.509 -9.043 -5.921 1.00 0.00 O ATOM 820 CB ALA A 58 6.905 -8.833 -8.418 1.00 0.00 C ATOM 0 H ALA A 58 5.162 -9.176 -10.170 1.00 0.00 H new ATOM 0 HA ALA A 58 5.464 -10.318 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.526 -8.953 -7.530 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.302 -9.449 -9.225 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.909 -7.787 -8.724 1.00 0.00 H new ATOM 826 N GLU A 59 5.022 -7.149 -7.015 1.00 0.00 N ATOM 827 CA GLU A 59 4.570 -6.278 -5.942 1.00 0.00 C ATOM 828 C GLU A 59 3.253 -6.765 -5.348 1.00 0.00 C ATOM 829 O GLU A 59 3.245 -7.511 -4.368 1.00 0.00 O ATOM 830 CB GLU A 59 4.427 -4.843 -6.448 1.00 0.00 C ATOM 831 CG GLU A 59 4.046 -3.851 -5.360 1.00 0.00 C ATOM 832 CD GLU A 59 4.531 -2.447 -5.657 1.00 0.00 C ATOM 833 OE1 GLU A 59 4.832 -2.159 -6.835 1.00 0.00 O ATOM 834 OE2 GLU A 59 4.612 -1.634 -4.712 1.00 0.00 O ATOM 0 H GLU A 59 5.387 -6.658 -7.831 1.00 0.00 H new ATOM 0 HA GLU A 59 5.321 -6.302 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.368 -4.530 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.672 -4.817 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.962 -3.841 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.463 -4.182 -4.409 1.00 0.00 H new ATOM 841 N PHE A 60 2.143 -6.332 -5.935 1.00 0.00 N ATOM 842 CA PHE A 60 0.825 -6.719 -5.450 1.00 0.00 C ATOM 843 C PHE A 60 0.822 -8.142 -4.908 1.00 0.00 C ATOM 844 O PHE A 60 0.657 -8.359 -3.711 1.00 0.00 O ATOM 845 CB PHE A 60 -0.215 -6.603 -6.559 1.00 0.00 C ATOM 846 CG PHE A 60 -1.610 -6.837 -6.065 1.00 0.00 C ATOM 847 CD1 PHE A 60 -2.116 -6.089 -5.016 1.00 0.00 C ATOM 848 CD2 PHE A 60 -2.410 -7.809 -6.640 1.00 0.00 C ATOM 849 CE1 PHE A 60 -3.395 -6.304 -4.548 1.00 0.00 C ATOM 850 CE2 PHE A 60 -3.694 -8.029 -6.176 1.00 0.00 C ATOM 851 CZ PHE A 60 -4.185 -7.274 -5.127 1.00 0.00 C ATOM 0 H PHE A 60 2.130 -5.714 -6.746 1.00 0.00 H new ATOM 0 HA PHE A 60 0.571 -6.036 -4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.154 -5.612 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.014 -7.323 -7.344 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.502 -5.328 -4.559 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.028 -8.401 -7.459 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.777 -5.713 -3.729 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -4.312 -8.789 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 60 -5.187 -7.444 -4.761 1.00 0.00 H new ATOM 861 N THR A 61 0.999 -9.107 -5.797 1.00 0.00 N ATOM 862 CA THR A 61 1.005 -10.512 -5.405 1.00 0.00 C ATOM 863 C THR A 61 1.672 -10.703 -4.043 1.00 0.00 C ATOM 864 O THR A 61 1.338 -11.630 -3.305 1.00 0.00 O ATOM 865 CB THR A 61 1.716 -11.358 -6.461 1.00 0.00 C ATOM 866 OG1 THR A 61 1.426 -12.733 -6.282 1.00 0.00 O ATOM 867 CG2 THR A 61 3.219 -11.200 -6.442 1.00 0.00 C ATOM 0 H THR A 61 1.140 -8.946 -6.794 1.00 0.00 H new ATOM 0 HA THR A 61 -0.031 -10.841 -5.326 1.00 0.00 H new ATOM 0 HB THR A 61 1.341 -10.997 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.889 -13.257 -6.968 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.661 -11.828 -7.216 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.478 -10.158 -6.629 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.604 -11.501 -5.468 1.00 0.00 H new ATOM 875 N GLU A 62 2.618 -9.828 -3.719 1.00 0.00 N ATOM 876 CA GLU A 62 3.333 -9.911 -2.450 1.00 0.00 C ATOM 877 C GLU A 62 2.514 -9.330 -1.298 1.00 0.00 C ATOM 878 O GLU A 62 2.291 -9.995 -0.287 1.00 0.00 O ATOM 879 CB GLU A 62 4.672 -9.179 -2.551 1.00 0.00 C ATOM 880 CG GLU A 62 5.594 -9.741 -3.620 1.00 0.00 C ATOM 881 CD GLU A 62 6.670 -10.643 -3.048 1.00 0.00 C ATOM 882 OE1 GLU A 62 6.317 -11.646 -2.392 1.00 0.00 O ATOM 883 OE2 GLU A 62 7.866 -10.348 -3.255 1.00 0.00 O ATOM 0 H GLU A 62 2.907 -9.054 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 62 3.506 -10.966 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.486 -8.126 -2.761 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.177 -9.227 -1.586 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.004 -10.301 -4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.064 -8.918 -4.158 1.00 0.00 H new ATOM 890 N MET A 63 2.086 -8.083 -1.450 1.00 0.00 N ATOM 891 CA MET A 63 1.311 -7.406 -0.411 1.00 0.00 C ATOM 892 C MET A 63 -0.096 -7.982 -0.276 1.00 0.00 C ATOM 893 O MET A 63 -0.608 -8.132 0.833 1.00 0.00 O ATOM 894 CB MET A 63 1.227 -5.904 -0.698 1.00 0.00 C ATOM 895 CG MET A 63 0.847 -5.566 -2.131 1.00 0.00 C ATOM 896 SD MET A 63 2.270 -5.062 -3.118 1.00 0.00 S ATOM 897 CE MET A 63 3.002 -3.822 -2.052 1.00 0.00 C ATOM 0 H MET A 63 2.261 -7.518 -2.281 1.00 0.00 H new ATOM 0 HA MET A 63 1.832 -7.570 0.533 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.496 -5.457 -0.024 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.190 -5.447 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.376 -6.433 -2.594 1.00 0.00 H new ATOM 0 HG3 MET A 63 0.108 -4.765 -2.129 1.00 0.00 H new ATOM 0 HE1 MET A 63 3.110 -2.887 -2.602 1.00 0.00 H new ATOM 0 HE2 MET A 63 2.359 -3.661 -1.186 1.00 0.00 H new ATOM 0 HE3 MET A 63 3.982 -4.162 -1.718 1.00 0.00 H new ATOM 907 N CYS A 64 -0.723 -8.289 -1.405 1.00 0.00 N ATOM 908 CA CYS A 64 -2.077 -8.828 -1.401 1.00 0.00 C ATOM 909 C CYS A 64 -2.089 -10.310 -1.761 1.00 0.00 C ATOM 910 O CYS A 64 -2.195 -10.677 -2.931 1.00 0.00 O ATOM 911 CB CYS A 64 -2.950 -8.041 -2.381 1.00 0.00 C ATOM 912 SG CYS A 64 -4.677 -7.784 -1.841 1.00 0.00 S ATOM 0 H CYS A 64 -0.316 -8.174 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.479 -8.728 -0.393 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.490 -7.068 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.958 -8.563 -3.338 1.00 0.00 H new ATOM 917 N PRO A 65 -1.986 -11.180 -0.747 1.00 0.00 N ATOM 918 CA PRO A 65 -1.989 -12.628 -0.938 1.00 0.00 C ATOM 919 C PRO A 65 -3.402 -13.192 -1.053 1.00 0.00 C ATOM 920 O PRO A 65 -3.601 -14.307 -1.533 1.00 0.00 O ATOM 921 CB PRO A 65 -1.315 -13.134 0.333 1.00 0.00 C ATOM 922 CG PRO A 65 -1.704 -12.143 1.379 1.00 0.00 C ATOM 923 CD PRO A 65 -1.859 -10.815 0.677 1.00 0.00 C ATOM 0 HA PRO A 65 -1.489 -12.928 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -1.654 -14.137 0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.232 -13.184 0.216 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.635 -12.436 1.864 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.944 -12.083 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -2.738 -10.276 1.031 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.998 -10.169 0.849 1.00 0.00 H new ATOM 931 N LYS A 66 -4.381 -12.412 -0.602 1.00 0.00 N ATOM 932 CA LYS A 66 -5.777 -12.831 -0.650 1.00 0.00 C ATOM 933 C LYS A 66 -6.536 -12.097 -1.753 1.00 0.00 C ATOM 934 O LYS A 66 -7.704 -12.385 -2.012 1.00 0.00 O ATOM 935 CB LYS A 66 -6.452 -12.580 0.700 1.00 0.00 C ATOM 936 CG LYS A 66 -7.094 -13.822 1.300 1.00 0.00 C ATOM 937 CD LYS A 66 -6.075 -14.680 2.032 1.00 0.00 C ATOM 938 CE LYS A 66 -6.629 -16.062 2.339 1.00 0.00 C ATOM 939 NZ LYS A 66 -5.837 -16.757 3.390 1.00 0.00 N ATOM 0 H LYS A 66 -4.232 -11.487 -0.199 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.799 -13.898 -0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.713 -12.189 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -7.214 -11.810 0.578 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.885 -13.527 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.563 -14.408 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.174 -14.774 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.784 -14.189 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.665 -15.973 2.665 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.631 -16.663 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.247 -17.696 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.854 -16.865 3.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.856 -16.197 4.266 1.00 0.00 H new ATOM 953 N GLY A 67 -5.866 -11.147 -2.399 1.00 0.00 N ATOM 954 CA GLY A 67 -6.496 -10.389 -3.464 1.00 0.00 C ATOM 955 C GLY A 67 -7.104 -9.090 -2.971 1.00 0.00 C ATOM 956 O GLY A 67 -7.307 -8.909 -1.770 1.00 0.00 O ATOM 0 H GLY A 67 -4.899 -10.889 -2.204 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.758 -10.171 -4.236 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.273 -10.997 -3.928 1.00 0.00 H new ATOM 960 N LYS A 68 -7.394 -8.183 -3.899 1.00 0.00 N ATOM 961 CA LYS A 68 -7.981 -6.893 -3.550 1.00 0.00 C ATOM 962 C LYS A 68 -9.277 -7.080 -2.769 1.00 0.00 C ATOM 963 O LYS A 68 -10.230 -7.686 -3.260 1.00 0.00 O ATOM 964 CB LYS A 68 -8.246 -6.069 -4.810 1.00 0.00 C ATOM 965 CG LYS A 68 -9.190 -4.899 -4.585 1.00 0.00 C ATOM 966 CD LYS A 68 -10.607 -5.232 -5.022 1.00 0.00 C ATOM 967 CE LYS A 68 -11.636 -4.663 -4.058 1.00 0.00 C ATOM 968 NZ LYS A 68 -12.832 -5.543 -3.937 1.00 0.00 N ATOM 0 H LYS A 68 -7.232 -8.317 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.270 -6.358 -2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.298 -5.692 -5.193 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.664 -6.720 -5.578 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.188 -4.627 -3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.832 -4.031 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.784 -4.834 -6.021 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.725 -6.314 -5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.180 -4.533 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.945 -3.675 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.509 -5.119 -3.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.282 -5.647 -4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.541 -6.478 -3.587 1.00 0.00 H new ATOM 982 N GLY A 69 -9.308 -6.552 -1.551 1.00 0.00 N ATOM 983 CA GLY A 69 -10.492 -6.669 -0.722 1.00 0.00 C ATOM 984 C GLY A 69 -10.189 -7.234 0.650 1.00 0.00 C ATOM 985 O GLY A 69 -10.548 -8.372 0.955 1.00 0.00 O ATOM 0 H GLY A 69 -8.534 -6.045 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.953 -5.687 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.219 -7.309 -1.222 1.00 0.00 H new ATOM 989 N PHE A 70 -9.528 -6.437 1.478 1.00 0.00 N ATOM 990 CA PHE A 70 -9.174 -6.858 2.828 1.00 0.00 C ATOM 991 C PHE A 70 -9.324 -5.703 3.811 1.00 0.00 C ATOM 992 O PHE A 70 -9.927 -5.850 4.874 1.00 0.00 O ATOM 993 CB PHE A 70 -7.740 -7.392 2.861 1.00 0.00 C ATOM 994 CG PHE A 70 -7.469 -8.316 4.014 1.00 0.00 C ATOM 995 CD1 PHE A 70 -7.061 -7.816 5.239 1.00 0.00 C ATOM 996 CD2 PHE A 70 -7.624 -9.685 3.870 1.00 0.00 C ATOM 997 CE1 PHE A 70 -6.811 -8.664 6.301 1.00 0.00 C ATOM 998 CE2 PHE A 70 -7.376 -10.539 4.928 1.00 0.00 C ATOM 999 CZ PHE A 70 -6.969 -10.028 6.145 1.00 0.00 C ATOM 0 H PHE A 70 -9.225 -5.493 1.238 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.855 -7.656 3.125 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.536 -7.918 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.049 -6.551 2.910 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.937 -6.751 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.942 -10.089 2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.493 -8.262 7.251 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.500 -11.605 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.775 -10.693 6.973 1.00 0.00 H new