USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 686 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 84 CYS SG : rot 180:sc= -0.763 USER MOD Set 1.2: A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -3.36 K(o=-3.4,f=-4.2!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -142:sc= -0.66! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 139:sc= 0.018 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl 153:sc= -0.631 (180deg=-1.27) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.11 USER MOD Single : A 52 LYS NZ :NH3+ 142:sc= -0.0147 (180deg=-0.0438) USER MOD Single : A 53 ASN :FLIP amide:sc= -1.27 F(o=-1.9,f=-1.3) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.175 X(o=-0.18,f=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.707 F(o=-2.2!,f=-0.71) USER MOD Single : A 76 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0092) USER MOD Single : A 79 THR OG1 : rot -14:sc= -2.63! USER MOD Single : A 94 SER OG : rot 9:sc= -1.64 USER MOD Single : A 96 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot -165:sc= -1 USER MOD Single : A 105 ASN :FLIP amide:sc= -1.27 F(o=-2.3,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 20 -3.736 -14.125 -9.025 1.00 0.00 N ATOM 57 CA VAL A 20 -3.772 -12.736 -8.572 1.00 0.00 C ATOM 58 C VAL A 20 -3.628 -11.751 -9.727 1.00 0.00 C ATOM 59 O VAL A 20 -3.141 -12.101 -10.802 1.00 0.00 O ATOM 60 CB VAL A 20 -2.655 -12.453 -7.552 1.00 0.00 C ATOM 61 CG1 VAL A 20 -2.905 -13.209 -6.258 1.00 0.00 C ATOM 62 CG2 VAL A 20 -1.298 -12.812 -8.139 1.00 0.00 C ATOM 0 HA VAL A 20 -4.747 -12.597 -8.105 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.657 -11.387 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.104 -12.995 -5.551 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.858 -12.896 -5.832 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.933 -14.279 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.518 -12.606 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.282 -13.871 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.120 -12.217 -9.035 1.00 0.00 H new ATOM 72 N GLU A 21 -4.047 -10.514 -9.487 1.00 0.00 N ATOM 73 CA GLU A 21 -3.960 -9.466 -10.495 1.00 0.00 C ATOM 74 C GLU A 21 -3.124 -8.301 -9.979 1.00 0.00 C ATOM 75 O GLU A 21 -3.431 -7.718 -8.939 1.00 0.00 O ATOM 76 CB GLU A 21 -5.358 -8.976 -10.878 1.00 0.00 C ATOM 77 CG GLU A 21 -5.958 -9.713 -12.063 1.00 0.00 C ATOM 78 CD GLU A 21 -7.473 -9.666 -12.071 1.00 0.00 C ATOM 79 OE1 GLU A 21 -8.065 -9.430 -10.996 1.00 0.00 O ATOM 80 OE2 GLU A 21 -8.069 -9.864 -13.151 1.00 0.00 O ATOM 0 H GLU A 21 -4.451 -10.212 -8.600 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.478 -9.880 -11.380 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.020 -9.086 -10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.310 -7.912 -11.109 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.580 -9.277 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.630 -10.752 -12.044 1.00 0.00 H new ATOM 87 N LEU A 22 -2.064 -7.973 -10.707 1.00 0.00 N ATOM 88 CA LEU A 22 -1.181 -6.883 -10.321 1.00 0.00 C ATOM 89 C LEU A 22 -1.929 -5.556 -10.269 1.00 0.00 C ATOM 90 O LEU A 22 -2.774 -5.275 -11.118 1.00 0.00 O ATOM 91 CB LEU A 22 -0.014 -6.781 -11.302 1.00 0.00 C ATOM 92 CG LEU A 22 1.164 -7.700 -10.994 1.00 0.00 C ATOM 93 CD1 LEU A 22 2.294 -7.463 -11.984 1.00 0.00 C ATOM 94 CD2 LEU A 22 1.646 -7.486 -9.568 1.00 0.00 C ATOM 0 H LEU A 22 -1.796 -8.448 -11.569 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.799 -7.098 -9.323 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.380 -7.006 -12.304 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.341 -5.751 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 22 0.833 -8.734 -11.092 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.127 -8.126 -11.751 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.941 -7.666 -12.995 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.625 -6.427 -11.917 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.487 -8.149 -9.365 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.962 -6.450 -9.442 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.835 -7.705 -8.873 1.00 0.00 H new ATOM 106 N HIS A 23 -1.603 -4.743 -9.270 1.00 0.00 N ATOM 107 CA HIS A 23 -2.235 -3.442 -9.104 1.00 0.00 C ATOM 108 C HIS A 23 -1.253 -2.429 -8.523 1.00 0.00 C ATOM 109 O HIS A 23 -0.925 -2.480 -7.338 1.00 0.00 O ATOM 110 CB HIS A 23 -3.458 -3.552 -8.190 1.00 0.00 C ATOM 111 CG HIS A 23 -4.456 -4.573 -8.636 1.00 0.00 C ATOM 112 ND1 HIS A 23 -4.944 -4.640 -9.923 1.00 0.00 N ATOM 113 CD2 HIS A 23 -5.063 -5.574 -7.953 1.00 0.00 C ATOM 114 CE1 HIS A 23 -5.808 -5.637 -10.015 1.00 0.00 C ATOM 115 NE2 HIS A 23 -5.896 -6.219 -8.833 1.00 0.00 N ATOM 0 H HIS A 23 -0.903 -4.964 -8.562 1.00 0.00 H new ATOM 0 HA HIS A 23 -2.553 -3.098 -10.088 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.125 -3.799 -7.182 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -3.947 -2.579 -8.135 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.918 -5.819 -6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -6.349 -5.926 -10.904 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -6.488 -7.019 -8.610 1.00 0.00 H new ATOM 124 N LYS A 24 -0.793 -1.507 -9.362 1.00 0.00 N ATOM 125 CA LYS A 24 0.140 -0.478 -8.919 1.00 0.00 C ATOM 126 C LYS A 24 -0.575 0.524 -8.023 1.00 0.00 C ATOM 127 O LYS A 24 -1.414 1.298 -8.487 1.00 0.00 O ATOM 128 CB LYS A 24 0.763 0.235 -10.121 1.00 0.00 C ATOM 129 CG LYS A 24 -0.254 0.927 -11.014 1.00 0.00 C ATOM 130 CD LYS A 24 0.337 1.260 -12.374 1.00 0.00 C ATOM 131 CE LYS A 24 0.554 0.010 -13.210 1.00 0.00 C ATOM 132 NZ LYS A 24 1.112 0.330 -14.553 1.00 0.00 N ATOM 0 H LYS A 24 -1.050 -1.451 -10.348 1.00 0.00 H new ATOM 0 HA LYS A 24 0.939 -0.954 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.481 0.973 -9.763 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.320 -0.490 -10.714 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.125 0.284 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.600 1.841 -10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.328 1.942 -12.904 1.00 0.00 H new ATOM 0 HD3 LYS A 24 1.286 1.779 -12.242 1.00 0.00 H new ATOM 0 HE2 LYS A 24 1.232 -0.664 -12.686 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.393 -0.518 -13.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.245 -0.549 -15.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.453 0.952 -15.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.028 0.811 -14.443 1.00 0.00 H new ATOM 146 N VAL A 25 -0.257 0.496 -6.733 1.00 0.00 N ATOM 147 CA VAL A 25 -0.889 1.393 -5.774 1.00 0.00 C ATOM 148 C VAL A 25 0.110 2.372 -5.172 1.00 0.00 C ATOM 149 O VAL A 25 1.252 2.016 -4.878 1.00 0.00 O ATOM 150 CB VAL A 25 -1.572 0.612 -4.625 1.00 0.00 C ATOM 151 CG1 VAL A 25 -3.065 0.901 -4.593 1.00 0.00 C ATOM 152 CG2 VAL A 25 -1.317 -0.886 -4.750 1.00 0.00 C ATOM 0 H VAL A 25 0.433 -0.137 -6.329 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.643 1.948 -6.332 1.00 0.00 H new ATOM 0 HB VAL A 25 -1.135 0.949 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.526 0.343 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.226 1.968 -4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.514 0.600 -5.539 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.809 -1.409 -3.929 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.715 -1.245 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.245 -1.077 -4.711 1.00 0.00 H new ATOM 162 N THR A 26 -0.338 3.607 -4.981 1.00 0.00 N ATOM 163 CA THR A 26 0.494 4.649 -4.399 1.00 0.00 C ATOM 164 C THR A 26 -0.284 5.388 -3.313 1.00 0.00 C ATOM 165 O THR A 26 -1.196 6.160 -3.609 1.00 0.00 O ATOM 166 CB THR A 26 0.951 5.631 -5.480 1.00 0.00 C ATOM 167 OG1 THR A 26 1.708 4.963 -6.474 1.00 0.00 O ATOM 168 CG2 THR A 26 1.797 6.766 -4.945 1.00 0.00 C ATOM 0 H THR A 26 -1.281 3.911 -5.223 1.00 0.00 H new ATOM 0 HA THR A 26 1.376 4.188 -3.954 1.00 0.00 H new ATOM 0 HB THR A 26 0.034 6.050 -5.894 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.448 5.537 -6.762 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.085 7.423 -5.766 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.224 7.332 -4.211 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.692 6.361 -4.473 1.00 0.00 H new ATOM 176 N LEU A 27 0.066 5.135 -2.056 1.00 0.00 N ATOM 177 CA LEU A 27 -0.622 5.767 -0.933 1.00 0.00 C ATOM 178 C LEU A 27 0.226 6.868 -0.302 1.00 0.00 C ATOM 179 O LEU A 27 1.326 7.163 -0.766 1.00 0.00 O ATOM 180 CB LEU A 27 -0.976 4.719 0.122 1.00 0.00 C ATOM 181 CG LEU A 27 -1.563 3.417 -0.428 1.00 0.00 C ATOM 182 CD1 LEU A 27 -1.411 2.293 0.585 1.00 0.00 C ATOM 183 CD2 LEU A 27 -3.025 3.607 -0.802 1.00 0.00 C ATOM 0 H LEU A 27 0.818 4.500 -1.789 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.535 6.223 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.078 4.482 0.692 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.691 5.155 0.820 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.012 3.144 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.834 1.375 0.176 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.354 2.140 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.936 2.557 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.426 2.671 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.591 3.905 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.108 4.382 -1.564 1.00 0.00 H new ATOM 195 N TYR A 28 -0.301 7.467 0.762 1.00 0.00 N ATOM 196 CA TYR A 28 0.396 8.534 1.473 1.00 0.00 C ATOM 197 C TYR A 28 0.296 8.326 2.982 1.00 0.00 C ATOM 198 O TYR A 28 -0.646 7.701 3.469 1.00 0.00 O ATOM 199 CB TYR A 28 -0.187 9.897 1.094 1.00 0.00 C ATOM 200 CG TYR A 28 -0.161 10.180 -0.391 1.00 0.00 C ATOM 201 CD1 TYR A 28 -1.014 9.512 -1.261 1.00 0.00 C ATOM 202 CD2 TYR A 28 0.718 11.115 -0.923 1.00 0.00 C ATOM 203 CE1 TYR A 28 -0.993 9.769 -2.618 1.00 0.00 C ATOM 204 CE2 TYR A 28 0.745 11.378 -2.279 1.00 0.00 C ATOM 205 CZ TYR A 28 -0.112 10.703 -3.123 1.00 0.00 C ATOM 206 OH TYR A 28 -0.090 10.961 -4.474 1.00 0.00 O ATOM 0 H TYR A 28 -1.213 7.230 1.152 1.00 0.00 H new ATOM 0 HA TYR A 28 1.447 8.507 1.185 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.217 9.952 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.370 10.677 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.705 8.780 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.391 11.645 -0.266 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.663 9.241 -3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.434 12.109 -2.676 1.00 0.00 H new ATOM 0 HH TYR A 28 0.586 11.645 -4.666 1.00 0.00 H new ATOM 216 N LYS A 29 1.273 8.847 3.718 1.00 0.00 N ATOM 217 CA LYS A 29 1.287 8.706 5.171 1.00 0.00 C ATOM 218 C LYS A 29 1.164 10.059 5.863 1.00 0.00 C ATOM 219 O LYS A 29 1.353 11.108 5.245 1.00 0.00 O ATOM 220 CB LYS A 29 2.571 8.011 5.627 1.00 0.00 C ATOM 221 CG LYS A 29 2.328 6.862 6.590 1.00 0.00 C ATOM 222 CD LYS A 29 3.593 6.496 7.350 1.00 0.00 C ATOM 223 CE LYS A 29 3.616 7.133 8.729 1.00 0.00 C ATOM 224 NZ LYS A 29 4.622 6.492 9.620 1.00 0.00 N ATOM 0 H LYS A 29 2.062 9.368 3.335 1.00 0.00 H new ATOM 0 HA LYS A 29 0.427 8.098 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.102 7.636 4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.222 8.744 6.105 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.545 7.137 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 29 1.969 5.993 6.038 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.660 5.412 7.447 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.466 6.820 6.783 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.840 8.196 8.634 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.628 7.054 9.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.113 7.224 10.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.143 5.833 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.314 5.971 9.044 1.00 0.00 H new ATOM 238 N ASP A 30 0.853 10.020 7.153 1.00 0.00 N ATOM 239 CA ASP A 30 0.711 11.238 7.944 1.00 0.00 C ATOM 240 C ASP A 30 1.905 11.417 8.876 1.00 0.00 C ATOM 241 O ASP A 30 2.549 10.443 9.271 1.00 0.00 O ATOM 242 CB ASP A 30 -0.585 11.199 8.755 1.00 0.00 C ATOM 243 CG ASP A 30 -1.232 12.565 8.875 1.00 0.00 C ATOM 244 OD1 ASP A 30 -1.197 13.327 7.886 1.00 0.00 O ATOM 245 OD2 ASP A 30 -1.772 12.872 9.959 1.00 0.00 O ATOM 0 H ASP A 30 0.694 9.158 7.675 1.00 0.00 H new ATOM 0 HA ASP A 30 0.674 12.086 7.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.285 10.509 8.284 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.375 10.810 9.752 1.00 0.00 H new ATOM 250 N SER A 31 2.201 12.667 9.220 1.00 0.00 N ATOM 251 CA SER A 31 3.322 12.977 10.101 1.00 0.00 C ATOM 252 C SER A 31 3.244 12.179 11.402 1.00 0.00 C ATOM 253 O SER A 31 4.267 11.877 12.016 1.00 0.00 O ATOM 254 CB SER A 31 3.353 14.475 10.411 1.00 0.00 C ATOM 255 OG SER A 31 4.686 14.951 10.497 1.00 0.00 O ATOM 0 H SER A 31 1.679 13.483 8.901 1.00 0.00 H new ATOM 0 HA SER A 31 4.240 12.696 9.584 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.818 15.021 9.634 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.834 14.666 11.350 1.00 0.00 H new ATOM 0 HG SER A 31 4.678 15.911 10.694 1.00 0.00 H new ATOM 261 N GLY A 32 2.026 11.842 11.815 1.00 0.00 N ATOM 262 CA GLY A 32 1.845 11.086 13.041 1.00 0.00 C ATOM 263 C GLY A 32 0.861 9.942 12.882 1.00 0.00 C ATOM 264 O GLY A 32 0.096 9.643 13.798 1.00 0.00 O ATOM 0 H GLY A 32 1.164 12.078 11.324 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.808 10.690 13.365 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.495 11.755 13.827 1.00 0.00 H new ATOM 268 N MET A 33 0.883 9.304 11.717 1.00 0.00 N ATOM 269 CA MET A 33 -0.015 8.186 11.444 1.00 0.00 C ATOM 270 C MET A 33 0.530 6.891 12.040 1.00 0.00 C ATOM 271 O MET A 33 1.742 6.705 12.138 1.00 0.00 O ATOM 272 CB MET A 33 -0.220 8.022 9.936 1.00 0.00 C ATOM 273 CG MET A 33 -1.666 7.768 9.544 1.00 0.00 C ATOM 274 SD MET A 33 -1.957 7.988 7.777 1.00 0.00 S ATOM 275 CE MET A 33 -3.408 9.035 7.801 1.00 0.00 C ATOM 0 H MET A 33 1.510 9.540 10.948 1.00 0.00 H new ATOM 0 HA MET A 33 -0.976 8.403 11.911 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.133 8.921 9.430 1.00 0.00 H new ATOM 0 HB3 MET A 33 0.395 7.194 9.582 1.00 0.00 H new ATOM 0 HG2 MET A 33 -1.943 6.753 9.830 1.00 0.00 H new ATOM 0 HG3 MET A 33 -2.314 8.444 10.102 1.00 0.00 H new ATOM 0 HE1 MET A 33 -3.438 9.637 6.893 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.303 8.415 7.855 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.368 9.692 8.670 1.00 0.00 H new ATOM 285 N GLU A 34 -0.374 6.000 12.432 1.00 0.00 N ATOM 286 CA GLU A 34 0.017 4.720 13.014 1.00 0.00 C ATOM 287 C GLU A 34 0.035 3.616 11.959 1.00 0.00 C ATOM 288 O GLU A 34 0.529 2.516 12.207 1.00 0.00 O ATOM 289 CB GLU A 34 -0.934 4.342 14.151 1.00 0.00 C ATOM 290 CG GLU A 34 -0.947 5.344 15.294 1.00 0.00 C ATOM 291 CD GLU A 34 0.014 4.973 16.406 1.00 0.00 C ATOM 292 OE1 GLU A 34 1.130 4.502 16.094 1.00 0.00 O ATOM 293 OE2 GLU A 34 -0.346 5.152 17.587 1.00 0.00 O ATOM 0 H GLU A 34 -1.382 6.140 12.358 1.00 0.00 H new ATOM 0 HA GLU A 34 1.026 4.827 13.412 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.944 4.246 13.752 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.651 3.364 14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.689 6.331 14.910 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.956 5.414 15.699 1.00 0.00 H new ATOM 300 N ASP A 35 -0.505 3.917 10.783 1.00 0.00 N ATOM 301 CA ASP A 35 -0.549 2.954 9.691 1.00 0.00 C ATOM 302 C ASP A 35 -0.669 3.668 8.349 1.00 0.00 C ATOM 303 O ASP A 35 -0.784 4.892 8.297 1.00 0.00 O ATOM 304 CB ASP A 35 -1.724 1.990 9.878 1.00 0.00 C ATOM 305 CG ASP A 35 -1.448 0.619 9.290 1.00 0.00 C ATOM 306 OD1 ASP A 35 -0.854 -0.221 9.997 1.00 0.00 O ATOM 307 OD2 ASP A 35 -1.825 0.388 8.122 1.00 0.00 O ATOM 0 H ASP A 35 -0.919 4.823 10.562 1.00 0.00 H new ATOM 0 HA ASP A 35 0.380 2.385 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.942 1.889 10.941 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.614 2.411 9.409 1.00 0.00 H new ATOM 312 N PHE A 36 -0.638 2.899 7.267 1.00 0.00 N ATOM 313 CA PHE A 36 -0.741 3.467 5.928 1.00 0.00 C ATOM 314 C PHE A 36 -2.141 3.274 5.354 1.00 0.00 C ATOM 315 O PHE A 36 -2.321 3.217 4.138 1.00 0.00 O ATOM 316 CB PHE A 36 0.301 2.840 5.003 1.00 0.00 C ATOM 317 CG PHE A 36 1.231 3.845 4.387 1.00 0.00 C ATOM 318 CD1 PHE A 36 0.788 4.689 3.383 1.00 0.00 C ATOM 319 CD2 PHE A 36 2.543 3.950 4.818 1.00 0.00 C ATOM 320 CE1 PHE A 36 1.639 5.621 2.819 1.00 0.00 C ATOM 321 CE2 PHE A 36 3.399 4.878 4.257 1.00 0.00 C ATOM 322 CZ PHE A 36 2.946 5.715 3.257 1.00 0.00 C ATOM 0 H PHE A 36 -0.543 1.884 7.290 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.550 4.538 6.001 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.885 2.112 5.566 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.209 2.294 4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.233 4.619 3.037 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.901 3.299 5.602 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.283 6.275 2.037 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.421 4.949 4.600 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.612 6.442 2.818 1.00 0.00 H new ATOM 332 N GLY A 37 -3.130 3.179 6.236 1.00 0.00 N ATOM 333 CA GLY A 37 -4.501 3.001 5.793 1.00 0.00 C ATOM 334 C GLY A 37 -4.868 1.548 5.547 1.00 0.00 C ATOM 335 O GLY A 37 -5.968 1.255 5.080 1.00 0.00 O ATOM 0 H GLY A 37 -3.008 3.222 7.248 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.175 3.417 6.542 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.656 3.568 4.875 1.00 0.00 H new ATOM 339 N PHE A 38 -3.953 0.632 5.863 1.00 0.00 N ATOM 340 CA PHE A 38 -4.212 -0.790 5.666 1.00 0.00 C ATOM 341 C PHE A 38 -3.097 -1.647 6.254 1.00 0.00 C ATOM 342 O PHE A 38 -1.918 -1.298 6.173 1.00 0.00 O ATOM 343 CB PHE A 38 -4.409 -1.100 4.176 1.00 0.00 C ATOM 344 CG PHE A 38 -3.151 -1.101 3.346 1.00 0.00 C ATOM 345 CD1 PHE A 38 -2.073 -0.285 3.658 1.00 0.00 C ATOM 346 CD2 PHE A 38 -3.059 -1.925 2.236 1.00 0.00 C ATOM 347 CE1 PHE A 38 -0.930 -0.296 2.878 1.00 0.00 C ATOM 348 CE2 PHE A 38 -1.922 -1.940 1.454 1.00 0.00 C ATOM 349 CZ PHE A 38 -0.855 -1.125 1.774 1.00 0.00 C ATOM 0 H PHE A 38 -3.035 0.848 6.252 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.132 -1.038 6.196 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -4.885 -2.076 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.100 -0.368 3.758 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.127 0.365 4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.890 -2.565 1.979 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -0.097 0.343 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.867 -2.589 0.592 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.036 -1.135 1.164 1.00 0.00 H new ATOM 359 N SER A 39 -3.478 -2.777 6.850 1.00 0.00 N ATOM 360 CA SER A 39 -2.515 -3.687 7.453 1.00 0.00 C ATOM 361 C SER A 39 -2.374 -4.944 6.608 1.00 0.00 C ATOM 362 O SER A 39 -3.297 -5.321 5.886 1.00 0.00 O ATOM 363 CB SER A 39 -2.951 -4.058 8.873 1.00 0.00 C ATOM 364 OG SER A 39 -3.164 -2.899 9.660 1.00 0.00 O ATOM 0 H SER A 39 -4.449 -3.081 6.926 1.00 0.00 H new ATOM 0 HA SER A 39 -1.549 -3.185 7.501 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.867 -4.648 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.189 -4.683 9.339 1.00 0.00 H new ATOM 0 HG SER A 39 -3.443 -3.163 10.562 1.00 0.00 H new ATOM 370 N VAL A 40 -1.212 -5.583 6.694 1.00 0.00 N ATOM 371 CA VAL A 40 -0.949 -6.794 5.928 1.00 0.00 C ATOM 372 C VAL A 40 -0.675 -7.985 6.845 1.00 0.00 C ATOM 373 O VAL A 40 -0.422 -7.818 8.037 1.00 0.00 O ATOM 374 CB VAL A 40 0.247 -6.600 4.978 1.00 0.00 C ATOM 375 CG1 VAL A 40 -0.027 -5.463 4.005 1.00 0.00 C ATOM 376 CG2 VAL A 40 1.523 -6.341 5.766 1.00 0.00 C ATOM 0 H VAL A 40 -0.438 -5.282 7.286 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.844 -6.999 5.341 1.00 0.00 H new ATOM 0 HB VAL A 40 0.384 -7.517 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.828 -5.339 3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.914 -5.694 3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.191 -4.540 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.356 -6.207 5.076 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.402 -5.441 6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.726 -7.190 6.419 1.00 0.00 H new ATOM 386 N ALA A 41 -0.730 -9.185 6.276 1.00 0.00 N ATOM 387 CA ALA A 41 -0.489 -10.405 7.036 1.00 0.00 C ATOM 388 C ALA A 41 0.475 -11.329 6.299 1.00 0.00 C ATOM 389 O ALA A 41 0.420 -11.448 5.075 1.00 0.00 O ATOM 390 CB ALA A 41 -1.800 -11.124 7.310 1.00 0.00 C ATOM 0 H ALA A 41 -0.940 -9.338 5.290 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.033 -10.126 7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.604 -12.033 7.878 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.459 -10.472 7.883 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.278 -11.383 6.365 1.00 0.00 H new ATOM 396 N ASP A 42 1.355 -11.981 7.050 1.00 0.00 N ATOM 397 CA ASP A 42 2.331 -12.896 6.468 1.00 0.00 C ATOM 398 C ASP A 42 1.644 -13.981 5.644 1.00 0.00 C ATOM 399 O ASP A 42 0.434 -14.183 5.752 1.00 0.00 O ATOM 400 CB ASP A 42 3.180 -13.537 7.568 1.00 0.00 C ATOM 401 CG ASP A 42 2.348 -14.345 8.544 1.00 0.00 C ATOM 402 OD1 ASP A 42 1.506 -13.746 9.245 1.00 0.00 O ATOM 403 OD2 ASP A 42 2.538 -15.577 8.608 1.00 0.00 O ATOM 0 H ASP A 42 1.413 -11.893 8.065 1.00 0.00 H new ATOM 0 HA ASP A 42 2.978 -12.320 5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.931 -14.183 7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.716 -12.758 8.110 1.00 0.00 H new ATOM 408 N GLY A 43 2.424 -14.676 4.822 1.00 0.00 N ATOM 409 CA GLY A 43 1.876 -15.734 3.992 1.00 0.00 C ATOM 410 C GLY A 43 2.399 -17.101 4.382 1.00 0.00 C ATOM 411 O GLY A 43 3.576 -17.252 4.709 1.00 0.00 O ATOM 0 H GLY A 43 3.427 -14.525 4.716 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.789 -15.728 4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 43 2.122 -15.538 2.948 1.00 0.00 H new ATOM 415 N LEU A 44 1.522 -18.100 4.353 1.00 0.00 N ATOM 416 CA LEU A 44 1.906 -19.460 4.712 1.00 0.00 C ATOM 417 C LEU A 44 2.283 -20.273 3.484 1.00 0.00 C ATOM 418 O LEU A 44 3.393 -20.797 3.384 1.00 0.00 O ATOM 419 CB LEU A 44 0.765 -20.149 5.463 1.00 0.00 C ATOM 420 CG LEU A 44 0.732 -19.889 6.970 1.00 0.00 C ATOM 421 CD1 LEU A 44 -0.686 -19.594 7.435 1.00 0.00 C ATOM 422 CD2 LEU A 44 1.307 -21.077 7.730 1.00 0.00 C ATOM 0 H LEU A 44 0.544 -17.993 4.085 1.00 0.00 H new ATOM 0 HA LEU A 44 2.781 -19.400 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.182 -19.823 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.838 -21.224 5.297 1.00 0.00 H new ATOM 0 HG LEU A 44 1.348 -19.015 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.686 -19.412 8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.062 -18.712 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.327 -20.447 7.211 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.275 -20.874 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.718 -21.968 7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.340 -21.241 7.422 1.00 0.00 H new ATOM 434 N LEU A 45 1.344 -20.379 2.564 1.00 0.00 N ATOM 435 CA LEU A 45 1.555 -21.138 1.335 1.00 0.00 C ATOM 436 C LEU A 45 2.258 -20.306 0.273 1.00 0.00 C ATOM 437 O LEU A 45 3.150 -20.791 -0.424 1.00 0.00 O ATOM 438 CB LEU A 45 0.223 -21.664 0.793 1.00 0.00 C ATOM 439 CG LEU A 45 -0.925 -20.654 0.819 1.00 0.00 C ATOM 440 CD1 LEU A 45 -1.575 -20.541 -0.553 1.00 0.00 C ATOM 441 CD2 LEU A 45 -1.956 -21.042 1.869 1.00 0.00 C ATOM 0 H LEU A 45 0.422 -19.949 2.640 1.00 0.00 H new ATOM 0 HA LEU A 45 2.200 -21.982 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.371 -21.998 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.069 -22.539 1.373 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.515 -19.679 1.084 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.389 -19.817 -0.511 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.833 -20.212 -1.281 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.969 -21.513 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.765 -20.311 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.359 -22.028 1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.484 -21.065 2.851 1.00 0.00 H new ATOM 453 N GLU A 46 1.845 -19.059 0.153 1.00 0.00 N ATOM 454 CA GLU A 46 2.426 -18.148 -0.829 1.00 0.00 C ATOM 455 C GLU A 46 3.642 -17.413 -0.265 1.00 0.00 C ATOM 456 O GLU A 46 4.136 -16.469 -0.882 1.00 0.00 O ATOM 457 CB GLU A 46 1.379 -17.138 -1.302 1.00 0.00 C ATOM 458 CG GLU A 46 0.021 -17.757 -1.591 1.00 0.00 C ATOM 459 CD GLU A 46 -0.895 -16.821 -2.353 1.00 0.00 C ATOM 460 OE1 GLU A 46 -0.382 -15.878 -2.992 1.00 0.00 O ATOM 461 OE2 GLU A 46 -2.125 -17.033 -2.315 1.00 0.00 O ATOM 0 H GLU A 46 1.106 -18.647 0.723 1.00 0.00 H new ATOM 0 HA GLU A 46 2.758 -18.747 -1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.262 -16.366 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.743 -16.645 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.158 -18.673 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.454 -18.038 -0.651 1.00 0.00 H new ATOM 468 N LYS A 47 4.118 -17.852 0.905 1.00 0.00 N ATOM 469 CA LYS A 47 5.280 -17.243 1.567 1.00 0.00 C ATOM 470 C LYS A 47 5.462 -15.775 1.179 1.00 0.00 C ATOM 471 O LYS A 47 6.311 -15.442 0.351 1.00 0.00 O ATOM 472 CB LYS A 47 6.550 -18.029 1.229 1.00 0.00 C ATOM 473 CG LYS A 47 6.874 -18.059 -0.257 1.00 0.00 C ATOM 474 CD LYS A 47 8.159 -17.307 -0.565 1.00 0.00 C ATOM 475 CE LYS A 47 8.140 -16.714 -1.965 1.00 0.00 C ATOM 476 NZ LYS A 47 9.252 -17.236 -2.805 1.00 0.00 N ATOM 0 H LYS A 47 3.713 -18.635 1.418 1.00 0.00 H new ATOM 0 HA LYS A 47 5.097 -17.280 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.391 -17.591 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.440 -19.052 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.969 -19.093 -0.589 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.050 -17.618 -0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.299 -16.511 0.166 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.009 -17.983 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.187 -16.942 -2.442 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.213 -15.628 -1.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.203 -16.807 -3.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.163 -16.997 -2.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.168 -18.269 -2.889 1.00 0.00 H new ATOM 490 N GLY A 48 4.657 -14.907 1.782 1.00 0.00 N ATOM 491 CA GLY A 48 4.741 -13.488 1.488 1.00 0.00 C ATOM 492 C GLY A 48 3.926 -12.647 2.451 1.00 0.00 C ATOM 493 O GLY A 48 3.913 -12.907 3.653 1.00 0.00 O ATOM 0 H GLY A 48 3.947 -15.161 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.784 -13.173 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.393 -13.310 0.471 1.00 0.00 H new ATOM 497 N VAL A 49 3.247 -11.633 1.920 1.00 0.00 N ATOM 498 CA VAL A 49 2.427 -10.749 2.741 1.00 0.00 C ATOM 499 C VAL A 49 1.330 -10.089 1.911 1.00 0.00 C ATOM 500 O VAL A 49 1.570 -9.661 0.783 1.00 0.00 O ATOM 501 CB VAL A 49 3.277 -9.649 3.405 1.00 0.00 C ATOM 502 CG1 VAL A 49 2.427 -8.803 4.343 1.00 0.00 C ATOM 503 CG2 VAL A 49 4.456 -10.256 4.145 1.00 0.00 C ATOM 0 H VAL A 49 3.249 -11.404 0.926 1.00 0.00 H new ATOM 0 HA VAL A 49 1.975 -11.368 3.515 1.00 0.00 H new ATOM 0 HB VAL A 49 3.666 -8.999 2.621 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.047 -8.033 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.621 -8.333 3.779 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.003 -9.437 5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.043 -9.462 4.607 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.091 -10.934 4.917 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.081 -10.808 3.443 1.00 0.00 H new ATOM 513 N TYR A 50 0.132 -10.007 2.479 1.00 0.00 N ATOM 514 CA TYR A 50 -1.004 -9.393 1.792 1.00 0.00 C ATOM 515 C TYR A 50 -1.816 -8.532 2.751 1.00 0.00 C ATOM 516 O TYR A 50 -1.783 -8.740 3.964 1.00 0.00 O ATOM 517 CB TYR A 50 -1.907 -10.463 1.163 1.00 0.00 C ATOM 518 CG TYR A 50 -1.327 -11.858 1.207 1.00 0.00 C ATOM 519 CD1 TYR A 50 -0.217 -12.192 0.445 1.00 0.00 C ATOM 520 CD2 TYR A 50 -1.889 -12.837 2.015 1.00 0.00 C ATOM 521 CE1 TYR A 50 0.318 -13.463 0.486 1.00 0.00 C ATOM 522 CE2 TYR A 50 -1.360 -14.112 2.063 1.00 0.00 C ATOM 523 CZ TYR A 50 -0.257 -14.421 1.295 1.00 0.00 C ATOM 524 OH TYR A 50 0.274 -15.690 1.341 1.00 0.00 O ATOM 0 H TYR A 50 -0.080 -10.357 3.413 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.608 -8.759 0.999 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.867 -10.463 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.103 -10.194 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.236 -11.445 -0.190 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.754 -12.598 2.616 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.183 -13.707 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.807 -14.862 2.698 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.249 -16.241 1.960 1.00 0.00 H new ATOM 534 N VAL A 51 -2.547 -7.567 2.202 1.00 0.00 N ATOM 535 CA VAL A 51 -3.369 -6.677 3.013 1.00 0.00 C ATOM 536 C VAL A 51 -4.479 -7.445 3.725 1.00 0.00 C ATOM 537 O VAL A 51 -5.311 -8.091 3.089 1.00 0.00 O ATOM 538 CB VAL A 51 -3.994 -5.557 2.158 1.00 0.00 C ATOM 539 CG1 VAL A 51 -4.819 -4.614 3.023 1.00 0.00 C ATOM 540 CG2 VAL A 51 -2.910 -4.793 1.414 1.00 0.00 C ATOM 0 H VAL A 51 -2.587 -7.382 1.200 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.711 -6.229 3.758 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.660 -6.014 1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.251 -3.832 2.399 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.619 -5.172 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.179 -4.162 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.366 -4.005 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.220 -4.349 2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.366 -5.476 0.762 1.00 0.00 H new ATOM 550 N LYS A 52 -4.479 -7.365 5.051 1.00 0.00 N ATOM 551 CA LYS A 52 -5.477 -8.048 5.864 1.00 0.00 C ATOM 552 C LYS A 52 -6.691 -7.164 6.101 1.00 0.00 C ATOM 553 O LYS A 52 -7.812 -7.653 6.249 1.00 0.00 O ATOM 554 CB LYS A 52 -4.872 -8.465 7.205 1.00 0.00 C ATOM 555 CG LYS A 52 -4.109 -7.350 7.902 1.00 0.00 C ATOM 556 CD LYS A 52 -4.357 -7.357 9.402 1.00 0.00 C ATOM 557 CE LYS A 52 -3.779 -8.600 10.059 1.00 0.00 C ATOM 558 NZ LYS A 52 -4.845 -9.546 10.491 1.00 0.00 N ATOM 0 H LYS A 52 -3.795 -6.831 5.587 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.799 -8.937 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.670 -8.813 7.861 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.200 -9.308 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -3.042 -7.462 7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -4.409 -6.388 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.912 -6.468 9.849 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.429 -7.308 9.594 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.109 -9.102 9.361 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.180 -8.309 10.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.531 -10.523 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.037 -9.413 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.712 -9.364 9.947 1.00 0.00 H new ATOM 572 N ASN A 53 -6.460 -5.863 6.143 1.00 0.00 N ATOM 573 CA ASN A 53 -7.537 -4.905 6.371 1.00 0.00 C ATOM 574 C ASN A 53 -7.147 -3.506 5.910 1.00 0.00 C ATOM 575 O ASN A 53 -5.965 -3.166 5.847 1.00 0.00 O ATOM 576 CB ASN A 53 -7.914 -4.876 7.853 1.00 0.00 C ATOM 577 CG ASN A 53 -8.841 -6.012 8.237 1.00 0.00 C ATOM 578 OD1 ASN A 53 -8.283 -7.052 8.845 1.00 0.00 O flip ATOM 579 ND2 ASN A 53 -10.046 -5.954 7.992 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.538 -5.443 6.023 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.397 -5.228 5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.008 -4.931 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.394 -3.925 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.432 -5.135 7.523 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.658 -6.725 8.258 1.00 0.00 H new ATOM 586 N ILE A 54 -8.154 -2.700 5.586 1.00 0.00 N ATOM 587 CA ILE A 54 -7.931 -1.338 5.128 1.00 0.00 C ATOM 588 C ILE A 54 -8.858 -0.360 5.842 1.00 0.00 C ATOM 589 O ILE A 54 -10.076 -0.534 5.843 1.00 0.00 O ATOM 590 CB ILE A 54 -8.152 -1.231 3.609 1.00 0.00 C ATOM 591 CG1 ILE A 54 -7.324 -2.305 2.886 1.00 0.00 C ATOM 592 CG2 ILE A 54 -7.815 0.173 3.118 1.00 0.00 C ATOM 593 CD1 ILE A 54 -6.624 -1.823 1.631 1.00 0.00 C ATOM 0 H ILE A 54 -9.136 -2.971 5.634 1.00 0.00 H new ATOM 0 HA ILE A 54 -6.898 -1.080 5.361 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.203 -1.408 3.382 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.576 -2.695 3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.980 -3.136 2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.977 0.231 2.042 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.455 0.898 3.621 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.771 0.395 3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.064 -2.646 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.364 -1.462 0.917 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.939 -1.014 1.884 1.00 0.00 H new ATOM 605 N ARG A 55 -8.275 0.671 6.446 1.00 0.00 N ATOM 606 CA ARG A 55 -9.054 1.675 7.161 1.00 0.00 C ATOM 607 C ARG A 55 -9.945 2.457 6.195 1.00 0.00 C ATOM 608 O ARG A 55 -9.449 3.176 5.329 1.00 0.00 O ATOM 609 CB ARG A 55 -8.124 2.637 7.904 1.00 0.00 C ATOM 610 CG ARG A 55 -7.696 2.133 9.274 1.00 0.00 C ATOM 611 CD ARG A 55 -7.730 3.244 10.312 1.00 0.00 C ATOM 612 NE ARG A 55 -8.059 2.739 11.643 1.00 0.00 N ATOM 613 CZ ARG A 55 -9.291 2.419 12.032 1.00 0.00 C ATOM 614 NH1 ARG A 55 -10.315 2.555 11.197 1.00 0.00 N ATOM 615 NH2 ARG A 55 -9.502 1.963 13.260 1.00 0.00 N ATOM 0 H ARG A 55 -7.268 0.833 6.454 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.689 1.163 7.884 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.236 2.812 7.297 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -8.626 3.598 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.354 1.322 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -6.689 1.721 9.213 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.761 3.742 10.342 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.464 3.994 10.017 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.299 2.625 12.314 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.159 2.906 10.252 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.257 2.308 11.501 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.720 1.858 13.906 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -10.446 1.718 13.558 1.00 0.00 H new ATOM 629 N PRO A 56 -11.278 2.325 6.329 1.00 0.00 N ATOM 630 CA PRO A 56 -12.227 3.027 5.457 1.00 0.00 C ATOM 631 C PRO A 56 -11.975 4.530 5.424 1.00 0.00 C ATOM 632 O PRO A 56 -11.940 5.184 6.466 1.00 0.00 O ATOM 633 CB PRO A 56 -13.588 2.725 6.090 1.00 0.00 C ATOM 634 CG PRO A 56 -13.385 1.455 6.840 1.00 0.00 C ATOM 635 CD PRO A 56 -11.966 1.490 7.331 1.00 0.00 C ATOM 0 HA PRO A 56 -12.146 2.701 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.903 3.530 6.754 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.362 2.616 5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -14.085 1.377 7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.555 0.591 6.198 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.897 1.922 8.329 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.535 0.490 7.385 1.00 0.00 H new ATOM 643 N ALA A 57 -11.796 5.066 4.214 1.00 0.00 N ATOM 644 CA ALA A 57 -11.540 6.495 4.013 1.00 0.00 C ATOM 645 C ALA A 57 -10.047 6.810 4.059 1.00 0.00 C ATOM 646 O ALA A 57 -9.586 7.758 3.425 1.00 0.00 O ATOM 647 CB ALA A 57 -12.292 7.340 5.035 1.00 0.00 C ATOM 0 H ALA A 57 -11.824 4.525 3.350 1.00 0.00 H new ATOM 0 HA ALA A 57 -11.908 6.749 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.082 8.395 4.860 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.363 7.162 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.970 7.068 6.040 1.00 0.00 H new ATOM 653 N GLY A 58 -9.295 6.010 4.811 1.00 0.00 N ATOM 654 CA GLY A 58 -7.865 6.226 4.920 1.00 0.00 C ATOM 655 C GLY A 58 -7.165 6.165 3.575 1.00 0.00 C ATOM 656 O GLY A 58 -7.809 5.959 2.547 1.00 0.00 O ATOM 0 H GLY A 58 -9.651 5.218 5.345 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.681 7.198 5.378 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.437 5.475 5.584 1.00 0.00 H new ATOM 660 N PRO A 59 -5.832 6.344 3.549 1.00 0.00 N ATOM 661 CA PRO A 59 -5.054 6.306 2.307 1.00 0.00 C ATOM 662 C PRO A 59 -5.330 5.049 1.490 1.00 0.00 C ATOM 663 O PRO A 59 -5.325 5.082 0.260 1.00 0.00 O ATOM 664 CB PRO A 59 -3.604 6.319 2.795 1.00 0.00 C ATOM 665 CG PRO A 59 -3.659 6.983 4.127 1.00 0.00 C ATOM 666 CD PRO A 59 -4.982 6.597 4.728 1.00 0.00 C ATOM 0 HA PRO A 59 -5.302 7.136 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.203 5.308 2.873 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.959 6.865 2.107 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -2.833 6.657 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -3.577 8.065 4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.894 5.712 5.358 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.387 7.393 5.352 1.00 0.00 H new ATOM 674 N GLY A 60 -5.571 3.940 2.183 1.00 0.00 N ATOM 675 CA GLY A 60 -5.844 2.686 1.505 1.00 0.00 C ATOM 676 C GLY A 60 -7.082 2.753 0.633 1.00 0.00 C ATOM 677 O GLY A 60 -7.061 2.320 -0.520 1.00 0.00 O ATOM 0 H GLY A 60 -5.582 3.888 3.202 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.985 2.415 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.968 1.896 2.246 1.00 0.00 H new ATOM 681 N ASP A 61 -8.162 3.301 1.179 1.00 0.00 N ATOM 682 CA ASP A 61 -9.411 3.427 0.440 1.00 0.00 C ATOM 683 C ASP A 61 -9.298 4.525 -0.607 1.00 0.00 C ATOM 684 O ASP A 61 -9.901 4.445 -1.676 1.00 0.00 O ATOM 685 CB ASP A 61 -10.568 3.729 1.395 1.00 0.00 C ATOM 686 CG ASP A 61 -11.851 3.030 0.987 1.00 0.00 C ATOM 687 OD1 ASP A 61 -11.851 1.783 0.917 1.00 0.00 O ATOM 688 OD2 ASP A 61 -12.855 3.730 0.737 1.00 0.00 O ATOM 0 H ASP A 61 -8.197 3.665 2.131 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.611 2.481 -0.064 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.294 3.420 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.738 4.805 1.427 1.00 0.00 H new ATOM 693 N LEU A 62 -8.518 5.552 -0.286 1.00 0.00 N ATOM 694 CA LEU A 62 -8.320 6.671 -1.195 1.00 0.00 C ATOM 695 C LEU A 62 -7.641 6.213 -2.482 1.00 0.00 C ATOM 696 O LEU A 62 -7.895 6.757 -3.556 1.00 0.00 O ATOM 697 CB LEU A 62 -7.484 7.761 -0.520 1.00 0.00 C ATOM 698 CG LEU A 62 -8.224 8.589 0.530 1.00 0.00 C ATOM 699 CD1 LEU A 62 -7.258 9.506 1.266 1.00 0.00 C ATOM 700 CD2 LEU A 62 -9.339 9.395 -0.117 1.00 0.00 C ATOM 0 H LEU A 62 -8.014 5.631 0.597 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.298 7.079 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.619 7.294 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -7.104 8.434 -1.289 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.669 7.908 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -7.803 10.087 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.494 8.907 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.783 10.181 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.855 9.979 0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.916 10.067 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.046 8.718 -0.597 1.00 0.00 H new ATOM 712 N GLY A 63 -6.778 5.209 -2.363 1.00 0.00 N ATOM 713 CA GLY A 63 -6.076 4.694 -3.523 1.00 0.00 C ATOM 714 C GLY A 63 -6.869 3.631 -4.258 1.00 0.00 C ATOM 715 O GLY A 63 -6.983 3.669 -5.483 1.00 0.00 O ATOM 0 H GLY A 63 -6.553 4.743 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.857 5.515 -4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.119 4.277 -3.209 1.00 0.00 H new ATOM 719 N GLY A 64 -7.420 2.681 -3.508 1.00 0.00 N ATOM 720 CA GLY A 64 -8.201 1.617 -4.114 1.00 0.00 C ATOM 721 C GLY A 64 -7.639 0.238 -3.824 1.00 0.00 C ATOM 722 O GLY A 64 -7.723 -0.661 -4.660 1.00 0.00 O ATOM 0 H GLY A 64 -7.340 2.629 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.226 1.671 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -8.239 1.769 -5.193 1.00 0.00 H new ATOM 726 N LEU A 65 -7.064 0.071 -2.638 1.00 0.00 N ATOM 727 CA LEU A 65 -6.486 -1.208 -2.241 1.00 0.00 C ATOM 728 C LEU A 65 -7.580 -2.220 -1.912 1.00 0.00 C ATOM 729 O LEU A 65 -8.637 -1.859 -1.394 1.00 0.00 O ATOM 730 CB LEU A 65 -5.568 -1.020 -1.034 1.00 0.00 C ATOM 731 CG LEU A 65 -4.211 -0.383 -1.342 1.00 0.00 C ATOM 732 CD1 LEU A 65 -3.611 0.231 -0.086 1.00 0.00 C ATOM 733 CD2 LEU A 65 -3.265 -1.414 -1.940 1.00 0.00 C ATOM 0 H LEU A 65 -6.986 0.805 -1.935 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.902 -1.592 -3.077 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.083 -0.402 -0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.399 -1.992 -0.571 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.360 0.412 -2.072 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.646 0.679 -0.325 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -4.282 0.998 0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.474 -0.544 0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.304 -0.946 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.121 -2.230 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.691 -1.806 -2.864 1.00 0.00 H new ATOM 745 N LYS A 66 -7.318 -3.488 -2.216 1.00 0.00 N ATOM 746 CA LYS A 66 -8.281 -4.553 -1.952 1.00 0.00 C ATOM 747 C LYS A 66 -7.650 -5.666 -1.117 1.00 0.00 C ATOM 748 O LYS A 66 -6.427 -5.802 -1.074 1.00 0.00 O ATOM 749 CB LYS A 66 -8.812 -5.120 -3.269 1.00 0.00 C ATOM 750 CG LYS A 66 -9.830 -4.221 -3.953 1.00 0.00 C ATOM 751 CD LYS A 66 -10.948 -5.027 -4.590 1.00 0.00 C ATOM 752 CE LYS A 66 -12.202 -4.188 -4.782 1.00 0.00 C ATOM 753 NZ LYS A 66 -13.011 -4.104 -3.534 1.00 0.00 N ATOM 0 H LYS A 66 -6.448 -3.803 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.110 -4.130 -1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.975 -5.288 -3.946 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.268 -6.092 -3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.250 -3.527 -3.225 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -9.333 -3.621 -4.715 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.616 -5.413 -5.554 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.178 -5.889 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.922 -3.184 -5.101 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.808 -4.618 -5.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -13.857 -3.524 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.300 -5.060 -3.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.442 -3.670 -2.780 1.00 0.00 H new ATOM 767 N PRO A 67 -8.479 -6.480 -0.440 1.00 0.00 N ATOM 768 CA PRO A 67 -7.998 -7.588 0.395 1.00 0.00 C ATOM 769 C PRO A 67 -7.133 -8.567 -0.392 1.00 0.00 C ATOM 770 O PRO A 67 -7.412 -8.853 -1.554 1.00 0.00 O ATOM 771 CB PRO A 67 -9.283 -8.274 0.878 1.00 0.00 C ATOM 772 CG PRO A 67 -10.359 -7.778 -0.028 1.00 0.00 C ATOM 773 CD PRO A 67 -9.948 -6.394 -0.434 1.00 0.00 C ATOM 0 HA PRO A 67 -7.366 -7.234 1.209 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.193 -9.359 0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.497 -8.022 1.917 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.466 -8.425 -0.899 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.323 -7.766 0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.342 -6.126 -1.415 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.307 -5.643 0.270 1.00 0.00 H new ATOM 781 N TYR A 68 -6.079 -9.068 0.254 1.00 0.00 N ATOM 782 CA TYR A 68 -5.148 -10.014 -0.367 1.00 0.00 C ATOM 783 C TYR A 68 -4.078 -9.287 -1.174 1.00 0.00 C ATOM 784 O TYR A 68 -3.216 -9.921 -1.779 1.00 0.00 O ATOM 785 CB TYR A 68 -5.874 -11.019 -1.268 1.00 0.00 C ATOM 786 CG TYR A 68 -7.082 -11.653 -0.623 1.00 0.00 C ATOM 787 CD1 TYR A 68 -6.944 -12.491 0.476 1.00 0.00 C ATOM 788 CD2 TYR A 68 -8.359 -11.416 -1.113 1.00 0.00 C ATOM 789 CE1 TYR A 68 -8.045 -13.077 1.067 1.00 0.00 C ATOM 790 CE2 TYR A 68 -9.465 -11.997 -0.526 1.00 0.00 C ATOM 791 CZ TYR A 68 -9.303 -12.826 0.564 1.00 0.00 C ATOM 792 OH TYR A 68 -10.404 -13.408 1.150 1.00 0.00 O ATOM 0 H TYR A 68 -5.846 -8.831 1.219 1.00 0.00 H new ATOM 0 HA TYR A 68 -4.671 -10.561 0.446 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.185 -10.514 -2.183 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.175 -11.803 -1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.960 -12.687 0.874 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.489 -10.767 -1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.921 -13.729 1.919 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.452 -11.803 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 68 -11.214 -13.127 0.675 1.00 0.00 H new ATOM 802 N ASP A 69 -4.140 -7.955 -1.182 1.00 0.00 N ATOM 803 CA ASP A 69 -3.176 -7.138 -1.911 1.00 0.00 C ATOM 804 C ASP A 69 -1.750 -7.510 -1.522 1.00 0.00 C ATOM 805 O ASP A 69 -1.122 -6.841 -0.700 1.00 0.00 O ATOM 806 CB ASP A 69 -3.428 -5.654 -1.637 1.00 0.00 C ATOM 807 CG ASP A 69 -4.336 -5.020 -2.673 1.00 0.00 C ATOM 808 OD1 ASP A 69 -5.177 -5.743 -3.247 1.00 0.00 O ATOM 809 OD2 ASP A 69 -4.206 -3.801 -2.910 1.00 0.00 O ATOM 0 H ASP A 69 -4.853 -7.419 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.302 -7.327 -2.977 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.874 -5.541 -0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.476 -5.124 -1.620 1.00 0.00 H new ATOM 814 N ARG A 70 -1.255 -8.589 -2.110 1.00 0.00 N ATOM 815 CA ARG A 70 0.086 -9.073 -1.829 1.00 0.00 C ATOM 816 C ARG A 70 1.141 -8.092 -2.329 1.00 0.00 C ATOM 817 O ARG A 70 1.409 -8.018 -3.527 1.00 0.00 O ATOM 818 CB ARG A 70 0.286 -10.442 -2.476 1.00 0.00 C ATOM 819 CG ARG A 70 1.678 -11.021 -2.275 1.00 0.00 C ATOM 820 CD ARG A 70 1.728 -12.494 -2.647 1.00 0.00 C ATOM 821 NE ARG A 70 1.589 -12.698 -4.087 1.00 0.00 N ATOM 822 CZ ARG A 70 1.829 -13.855 -4.698 1.00 0.00 C ATOM 823 NH1 ARG A 70 2.219 -14.915 -3.999 1.00 0.00 N ATOM 824 NH2 ARG A 70 1.678 -13.955 -6.011 1.00 0.00 N ATOM 0 H ARG A 70 -1.768 -9.149 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 70 0.200 -9.165 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -0.448 -11.137 -2.068 1.00 0.00 H new ATOM 0 HB3 ARG A 70 0.088 -10.360 -3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.395 -10.467 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.978 -10.897 -1.234 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.672 -12.922 -2.309 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.932 -13.027 -2.126 1.00 0.00 H new ATOM 0 HE ARG A 70 1.290 -11.907 -4.657 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.336 -14.844 -2.988 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.402 -15.800 -4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.378 -13.145 -6.553 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.862 -14.842 -6.479 1.00 0.00 H new ATOM 838 N LEU A 71 1.734 -7.346 -1.401 1.00 0.00 N ATOM 839 CA LEU A 71 2.763 -6.370 -1.745 1.00 0.00 C ATOM 840 C LEU A 71 3.982 -7.058 -2.347 1.00 0.00 C ATOM 841 O LEU A 71 4.744 -7.717 -1.640 1.00 0.00 O ATOM 842 CB LEU A 71 3.184 -5.578 -0.505 1.00 0.00 C ATOM 843 CG LEU A 71 2.102 -4.676 0.095 1.00 0.00 C ATOM 844 CD1 LEU A 71 1.489 -5.324 1.326 1.00 0.00 C ATOM 845 CD2 LEU A 71 2.677 -3.311 0.438 1.00 0.00 C ATOM 0 H LEU A 71 1.519 -7.399 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 71 2.343 -5.686 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.513 -6.281 0.260 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.045 -4.962 -0.763 1.00 0.00 H new ATOM 0 HG LEU A 71 1.316 -4.540 -0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.722 -4.668 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.040 -6.278 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.264 -5.491 2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.894 -2.683 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.483 -3.427 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.067 -2.843 -0.466 1.00 0.00 H new ATOM 857 N LEU A 72 4.166 -6.901 -3.653 1.00 0.00 N ATOM 858 CA LEU A 72 5.300 -7.511 -4.334 1.00 0.00 C ATOM 859 C LEU A 72 6.540 -6.630 -4.235 1.00 0.00 C ATOM 860 O LEU A 72 7.521 -6.992 -3.587 1.00 0.00 O ATOM 861 CB LEU A 72 4.963 -7.782 -5.804 1.00 0.00 C ATOM 862 CG LEU A 72 3.579 -8.386 -6.067 1.00 0.00 C ATOM 863 CD1 LEU A 72 3.499 -8.919 -7.488 1.00 0.00 C ATOM 864 CD2 LEU A 72 3.264 -9.494 -5.069 1.00 0.00 C ATOM 0 H LEU A 72 3.548 -6.360 -4.258 1.00 0.00 H new ATOM 0 HA LEU A 72 5.514 -8.459 -3.840 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.041 -6.844 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.717 -8.455 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 72 2.837 -7.598 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.511 -9.345 -7.662 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.672 -8.105 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.257 -9.689 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.276 -9.904 -5.280 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.010 -10.284 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.280 -9.088 -4.058 1.00 0.00 H new ATOM 876 N GLN A 73 6.490 -5.473 -4.886 1.00 0.00 N ATOM 877 CA GLN A 73 7.611 -4.539 -4.873 1.00 0.00 C ATOM 878 C GLN A 73 7.226 -3.231 -4.195 1.00 0.00 C ATOM 879 O GLN A 73 6.401 -2.473 -4.704 1.00 0.00 O ATOM 880 CB GLN A 73 8.091 -4.265 -6.301 1.00 0.00 C ATOM 881 CG GLN A 73 6.963 -4.033 -7.291 1.00 0.00 C ATOM 882 CD GLN A 73 7.459 -3.903 -8.718 1.00 0.00 C ATOM 883 OE1 GLN A 73 6.927 -4.535 -9.631 1.00 0.00 O ATOM 884 NE2 GLN A 73 8.481 -3.082 -8.918 1.00 0.00 N ATOM 0 H GLN A 73 5.686 -5.159 -5.429 1.00 0.00 H new ATOM 0 HA GLN A 73 8.422 -4.995 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.742 -3.391 -6.294 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.693 -5.108 -6.641 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.255 -4.859 -7.230 1.00 0.00 H new ATOM 0 HG3 GLN A 73 6.422 -3.128 -7.014 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.892 -2.578 -8.132 1.00 0.00 H new ATOM 0 HE22 GLN A 73 8.856 -2.955 -9.858 1.00 0.00 H new ATOM 893 N VAL A 74 7.833 -2.973 -3.042 1.00 0.00 N ATOM 894 CA VAL A 74 7.561 -1.757 -2.288 1.00 0.00 C ATOM 895 C VAL A 74 8.695 -0.750 -2.449 1.00 0.00 C ATOM 896 O VAL A 74 9.857 -1.066 -2.191 1.00 0.00 O ATOM 897 CB VAL A 74 7.364 -2.060 -0.789 1.00 0.00 C ATOM 898 CG1 VAL A 74 6.968 -0.801 -0.034 1.00 0.00 C ATOM 899 CG2 VAL A 74 6.327 -3.156 -0.597 1.00 0.00 C ATOM 0 H VAL A 74 8.518 -3.592 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 74 6.641 -1.331 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 74 8.312 -2.414 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.834 -1.037 1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.751 -0.051 -0.142 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.034 -0.412 -0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.202 -3.356 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.375 -2.835 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.660 -4.064 -1.100 1.00 0.00 H new ATOM 909 N ASN A 75 8.350 0.460 -2.877 1.00 0.00 N ATOM 910 CA ASN A 75 9.338 1.520 -3.077 1.00 0.00 C ATOM 911 C ASN A 75 10.567 1.003 -3.824 1.00 0.00 C ATOM 912 O ASN A 75 11.693 1.414 -3.543 1.00 0.00 O ATOM 913 CB ASN A 75 9.757 2.114 -1.731 1.00 0.00 C ATOM 914 CG ASN A 75 8.902 3.300 -1.330 1.00 0.00 C ATOM 915 OD1 ASN A 75 7.594 3.182 -1.534 1.00 0.00 O flip ATOM 916 ND2 ASN A 75 9.409 4.309 -0.842 1.00 0.00 N flip ATOM 0 H ASN A 75 7.391 0.734 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 75 8.874 2.297 -3.685 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.690 1.345 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.801 2.423 -1.783 1.00 0.00 H new ATOM 0 HD21 ASN A 75 10.418 4.356 -0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.820 5.098 -0.576 1.00 0.00 H new ATOM 923 N HIS A 76 10.334 0.101 -4.781 1.00 0.00 N ATOM 924 CA HIS A 76 11.407 -0.485 -5.593 1.00 0.00 C ATOM 925 C HIS A 76 12.010 -1.721 -4.927 1.00 0.00 C ATOM 926 O HIS A 76 12.602 -2.568 -5.597 1.00 0.00 O ATOM 927 CB HIS A 76 12.507 0.541 -5.880 1.00 0.00 C ATOM 928 CG HIS A 76 13.063 0.447 -7.266 1.00 0.00 C ATOM 929 ND1 HIS A 76 14.414 0.468 -7.539 1.00 0.00 N ATOM 930 CD2 HIS A 76 12.440 0.330 -8.463 1.00 0.00 C ATOM 931 CE1 HIS A 76 14.599 0.369 -8.844 1.00 0.00 C ATOM 932 NE2 HIS A 76 13.417 0.284 -9.426 1.00 0.00 N ATOM 0 H HIS A 76 9.403 -0.243 -5.015 1.00 0.00 H new ATOM 0 HA HIS A 76 10.957 -0.792 -6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 76 12.108 1.543 -5.724 1.00 0.00 H new ATOM 0 HB3 HIS A 76 13.316 0.405 -5.162 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.374 0.282 -8.629 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.554 0.359 -9.348 1.00 0.00 H new ATOM 0 HE2 HIS A 76 13.256 0.198 -10.430 1.00 0.00 H new ATOM 941 N VAL A 77 11.863 -1.824 -3.610 1.00 0.00 N ATOM 942 CA VAL A 77 12.400 -2.960 -2.872 1.00 0.00 C ATOM 943 C VAL A 77 11.447 -4.149 -2.923 1.00 0.00 C ATOM 944 O VAL A 77 10.240 -3.997 -2.737 1.00 0.00 O ATOM 945 CB VAL A 77 12.669 -2.598 -1.399 1.00 0.00 C ATOM 946 CG1 VAL A 77 13.399 -3.729 -0.693 1.00 0.00 C ATOM 947 CG2 VAL A 77 13.461 -1.301 -1.306 1.00 0.00 C ATOM 0 H VAL A 77 11.378 -1.136 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 77 13.341 -3.230 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 77 11.711 -2.451 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 77 13.579 -3.453 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 77 12.791 -4.633 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 77 14.351 -3.913 -1.190 1.00 0.00 H new ATOM 0 HG21 VAL A 77 13.642 -1.060 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 77 14.414 -1.419 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 77 12.894 -0.494 -1.771 1.00 0.00 H new ATOM 957 N ARG A 78 11.998 -5.330 -3.176 1.00 0.00 N ATOM 958 CA ARG A 78 11.195 -6.545 -3.250 1.00 0.00 C ATOM 959 C ARG A 78 10.661 -6.926 -1.874 1.00 0.00 C ATOM 960 O ARG A 78 11.388 -6.880 -0.880 1.00 0.00 O ATOM 961 CB ARG A 78 12.022 -7.697 -3.827 1.00 0.00 C ATOM 962 CG ARG A 78 12.554 -7.425 -5.226 1.00 0.00 C ATOM 963 CD ARG A 78 14.037 -7.748 -5.336 1.00 0.00 C ATOM 964 NE ARG A 78 14.506 -7.706 -6.719 1.00 0.00 N ATOM 965 CZ ARG A 78 15.675 -8.201 -7.121 1.00 0.00 C ATOM 966 NH1 ARG A 78 16.497 -8.774 -6.251 1.00 0.00 N ATOM 967 NH2 ARG A 78 16.024 -8.120 -8.398 1.00 0.00 N ATOM 0 H ARG A 78 12.996 -5.472 -3.333 1.00 0.00 H new ATOM 0 HA ARG A 78 10.349 -6.352 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 78 12.861 -7.899 -3.161 1.00 0.00 H new ATOM 0 HB3 ARG A 78 11.409 -8.598 -3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.997 -8.020 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 78 12.390 -6.378 -5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 78 14.608 -7.038 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.224 -8.738 -4.920 1.00 0.00 H new ATOM 0 HE ARG A 78 13.903 -7.272 -7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.235 -8.837 -5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 78 17.391 -9.151 -6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 78 15.397 -7.679 -9.071 1.00 0.00 H new ATOM 0 HH22 ARG A 78 16.919 -8.499 -8.707 1.00 0.00 H new ATOM 981 N THR A 79 9.387 -7.300 -1.820 1.00 0.00 N ATOM 982 CA THR A 79 8.758 -7.687 -0.562 1.00 0.00 C ATOM 983 C THR A 79 7.741 -8.805 -0.775 1.00 0.00 C ATOM 984 O THR A 79 6.807 -8.964 0.010 1.00 0.00 O ATOM 985 CB THR A 79 8.075 -6.479 0.081 1.00 0.00 C ATOM 986 OG1 THR A 79 7.076 -5.954 -0.775 1.00 0.00 O ATOM 987 CG2 THR A 79 9.034 -5.357 0.409 1.00 0.00 C ATOM 0 H THR A 79 8.770 -7.343 -2.631 1.00 0.00 H new ATOM 0 HA THR A 79 9.538 -8.056 0.104 1.00 0.00 H new ATOM 0 HB THR A 79 7.643 -6.850 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.189 -6.324 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.486 -4.531 0.862 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.790 -5.717 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.518 -5.013 -0.505 1.00 0.00 H new ATOM 995 N ARG A 80 7.928 -9.581 -1.839 1.00 0.00 N ATOM 996 CA ARG A 80 7.027 -10.686 -2.144 1.00 0.00 C ATOM 997 C ARG A 80 7.226 -11.830 -1.155 1.00 0.00 C ATOM 998 O ARG A 80 6.263 -12.359 -0.598 1.00 0.00 O ATOM 999 CB ARG A 80 7.256 -11.183 -3.574 1.00 0.00 C ATOM 1000 CG ARG A 80 6.222 -10.681 -4.570 1.00 0.00 C ATOM 1001 CD ARG A 80 6.145 -11.583 -5.791 1.00 0.00 C ATOM 1002 NE ARG A 80 7.099 -11.186 -6.823 1.00 0.00 N ATOM 1003 CZ ARG A 80 7.005 -11.548 -8.101 1.00 0.00 C ATOM 1004 NH1 ARG A 80 6.001 -12.316 -8.508 1.00 0.00 N ATOM 1005 NH2 ARG A 80 7.918 -11.140 -8.972 1.00 0.00 N ATOM 0 H ARG A 80 8.694 -9.465 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 80 6.002 -10.325 -2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.247 -10.870 -3.904 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.249 -12.273 -3.576 1.00 0.00 H new ATOM 0 HG2 ARG A 80 5.245 -10.633 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.475 -9.667 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 80 6.340 -12.613 -5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.135 -11.555 -6.200 1.00 0.00 H new ATOM 0 HE ARG A 80 7.884 -10.596 -6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.297 -12.631 -7.841 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.934 -12.590 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 80 8.690 -10.550 -8.663 1.00 0.00 H new ATOM 0 HH22 ARG A 80 7.848 -11.416 -9.951 1.00 0.00 H new ATOM 1019 N ASP A 81 8.483 -12.208 -0.942 1.00 0.00 N ATOM 1020 CA ASP A 81 8.814 -13.289 -0.018 1.00 0.00 C ATOM 1021 C ASP A 81 9.105 -12.754 1.383 1.00 0.00 C ATOM 1022 O ASP A 81 9.681 -13.457 2.214 1.00 0.00 O ATOM 1023 CB ASP A 81 10.019 -14.074 -0.536 1.00 0.00 C ATOM 1024 CG ASP A 81 11.267 -13.218 -0.635 1.00 0.00 C ATOM 1025 OD1 ASP A 81 11.419 -12.504 -1.648 1.00 0.00 O ATOM 1026 OD2 ASP A 81 12.095 -13.264 0.301 1.00 0.00 O ATOM 0 H ASP A 81 9.290 -11.782 -1.397 1.00 0.00 H new ATOM 0 HA ASP A 81 7.951 -13.951 0.045 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.212 -14.918 0.127 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.786 -14.487 -1.518 1.00 0.00 H new ATOM 1031 N PHE A 82 8.708 -11.510 1.642 1.00 0.00 N ATOM 1032 CA PHE A 82 8.934 -10.894 2.945 1.00 0.00 C ATOM 1033 C PHE A 82 7.860 -11.321 3.940 1.00 0.00 C ATOM 1034 O PHE A 82 6.919 -12.029 3.587 1.00 0.00 O ATOM 1035 CB PHE A 82 8.943 -9.369 2.812 1.00 0.00 C ATOM 1036 CG PHE A 82 10.267 -8.802 2.379 1.00 0.00 C ATOM 1037 CD1 PHE A 82 11.069 -9.483 1.476 1.00 0.00 C ATOM 1038 CD2 PHE A 82 10.708 -7.586 2.874 1.00 0.00 C ATOM 1039 CE1 PHE A 82 12.284 -8.960 1.077 1.00 0.00 C ATOM 1040 CE2 PHE A 82 11.921 -7.059 2.478 1.00 0.00 C ATOM 1041 CZ PHE A 82 12.711 -7.746 1.578 1.00 0.00 C ATOM 0 H PHE A 82 8.230 -10.911 0.969 1.00 0.00 H new ATOM 0 HA PHE A 82 9.903 -11.228 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 82 8.179 -9.072 2.093 1.00 0.00 H new ATOM 0 HB3 PHE A 82 8.667 -8.929 3.770 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.740 -10.433 1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 82 10.095 -7.043 3.579 1.00 0.00 H new ATOM 0 HE1 PHE A 82 12.900 -9.501 0.373 1.00 0.00 H new ATOM 0 HE2 PHE A 82 12.252 -6.109 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 82 13.660 -7.335 1.267 1.00 0.00 H new ATOM 1051 N ASP A 83 8.006 -10.879 5.183 1.00 0.00 N ATOM 1052 CA ASP A 83 7.048 -11.206 6.231 1.00 0.00 C ATOM 1053 C ASP A 83 6.315 -9.952 6.697 1.00 0.00 C ATOM 1054 O ASP A 83 6.786 -8.835 6.483 1.00 0.00 O ATOM 1055 CB ASP A 83 7.756 -11.871 7.414 1.00 0.00 C ATOM 1056 CG ASP A 83 7.544 -13.372 7.446 1.00 0.00 C ATOM 1057 OD1 ASP A 83 8.281 -14.091 6.739 1.00 0.00 O ATOM 1058 OD2 ASP A 83 6.641 -13.827 8.179 1.00 0.00 O ATOM 0 H ASP A 83 8.781 -10.291 5.490 1.00 0.00 H new ATOM 0 HA ASP A 83 6.318 -11.904 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.824 -11.659 7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.391 -11.435 8.344 1.00 0.00 H new ATOM 1063 N CYS A 84 5.165 -10.141 7.335 1.00 0.00 N ATOM 1064 CA CYS A 84 4.372 -9.019 7.828 1.00 0.00 C ATOM 1065 C CYS A 84 5.231 -8.079 8.670 1.00 0.00 C ATOM 1066 O CYS A 84 5.037 -6.864 8.653 1.00 0.00 O ATOM 1067 CB CYS A 84 3.191 -9.528 8.656 1.00 0.00 C ATOM 1068 SG CYS A 84 3.640 -10.759 9.902 1.00 0.00 S ATOM 0 H CYS A 84 4.761 -11.059 7.523 1.00 0.00 H new ATOM 0 HA CYS A 84 3.992 -8.466 6.969 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.717 -8.681 9.152 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.449 -9.960 7.984 1.00 0.00 H new ATOM 0 HG CYS A 84 2.576 -11.127 10.552 1.00 0.00 H new ATOM 1074 N CYS A 85 6.179 -8.651 9.401 1.00 0.00 N ATOM 1075 CA CYS A 85 7.067 -7.875 10.246 1.00 0.00 C ATOM 1076 C CYS A 85 8.044 -7.048 9.410 1.00 0.00 C ATOM 1077 O CYS A 85 8.595 -6.057 9.887 1.00 0.00 O ATOM 1078 CB CYS A 85 7.840 -8.795 11.191 1.00 0.00 C ATOM 1079 SG CYS A 85 6.822 -9.553 12.479 1.00 0.00 S ATOM 0 H CYS A 85 6.350 -9.656 9.423 1.00 0.00 H new ATOM 0 HA CYS A 85 6.455 -7.190 10.833 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.314 -9.583 10.606 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.639 -8.224 11.663 1.00 0.00 H new ATOM 0 HG CYS A 85 7.564 -10.315 13.226 1.00 0.00 H new ATOM 1085 N LEU A 86 8.258 -7.464 8.163 1.00 0.00 N ATOM 1086 CA LEU A 86 9.172 -6.761 7.267 1.00 0.00 C ATOM 1087 C LEU A 86 8.412 -5.814 6.343 1.00 0.00 C ATOM 1088 O LEU A 86 8.918 -4.751 5.968 1.00 0.00 O ATOM 1089 CB LEU A 86 9.979 -7.767 6.440 1.00 0.00 C ATOM 1090 CG LEU A 86 11.497 -7.615 6.542 1.00 0.00 C ATOM 1091 CD1 LEU A 86 12.198 -8.785 5.869 1.00 0.00 C ATOM 1092 CD2 LEU A 86 11.944 -6.299 5.924 1.00 0.00 C ATOM 0 H LEU A 86 7.811 -8.283 7.751 1.00 0.00 H new ATOM 0 HA LEU A 86 9.855 -6.169 7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.708 -8.775 6.755 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.689 -7.671 5.394 1.00 0.00 H new ATOM 0 HG LEU A 86 11.771 -7.611 7.597 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.278 -8.659 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.903 -9.715 6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.917 -8.821 4.817 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.027 -6.208 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.656 -6.274 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 86 11.470 -5.470 6.450 1.00 0.00 H new ATOM 1104 N VAL A 87 7.190 -6.196 5.986 1.00 0.00 N ATOM 1105 CA VAL A 87 6.362 -5.382 5.110 1.00 0.00 C ATOM 1106 C VAL A 87 5.695 -4.243 5.873 1.00 0.00 C ATOM 1107 O VAL A 87 5.535 -3.145 5.339 1.00 0.00 O ATOM 1108 CB VAL A 87 5.283 -6.231 4.411 1.00 0.00 C ATOM 1109 CG1 VAL A 87 4.476 -5.387 3.433 1.00 0.00 C ATOM 1110 CG2 VAL A 87 5.924 -7.414 3.701 1.00 0.00 C ATOM 0 H VAL A 87 6.753 -7.065 6.291 1.00 0.00 H new ATOM 0 HA VAL A 87 7.024 -4.959 4.354 1.00 0.00 H new ATOM 0 HB VAL A 87 4.598 -6.610 5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.721 -6.009 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.988 -4.574 3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.141 -4.973 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.151 -8.006 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.631 -7.051 2.955 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.450 -8.033 4.428 1.00 0.00 H new ATOM 1120 N VAL A 88 5.307 -4.497 7.120 1.00 0.00 N ATOM 1121 CA VAL A 88 4.663 -3.465 7.921 1.00 0.00 C ATOM 1122 C VAL A 88 5.592 -2.265 8.141 1.00 0.00 C ATOM 1123 O VAL A 88 5.151 -1.118 8.044 1.00 0.00 O ATOM 1124 CB VAL A 88 4.116 -4.012 9.268 1.00 0.00 C ATOM 1125 CG1 VAL A 88 5.206 -4.179 10.316 1.00 0.00 C ATOM 1126 CG2 VAL A 88 3.010 -3.108 9.793 1.00 0.00 C ATOM 0 H VAL A 88 5.425 -5.394 7.590 1.00 0.00 H new ATOM 0 HA VAL A 88 3.801 -3.120 7.350 1.00 0.00 H new ATOM 0 HB VAL A 88 3.710 -5.004 9.070 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.769 -4.564 11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.958 -4.879 9.951 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.674 -3.214 10.512 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.635 -3.503 10.737 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.404 -2.104 9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 88 2.197 -3.069 9.068 1.00 0.00 H new ATOM 1136 N PRO A 89 6.902 -2.487 8.409 1.00 0.00 N ATOM 1137 CA PRO A 89 7.848 -1.387 8.595 1.00 0.00 C ATOM 1138 C PRO A 89 8.201 -0.729 7.266 1.00 0.00 C ATOM 1139 O PRO A 89 8.206 0.498 7.149 1.00 0.00 O ATOM 1140 CB PRO A 89 9.073 -2.069 9.197 1.00 0.00 C ATOM 1141 CG PRO A 89 9.032 -3.451 8.652 1.00 0.00 C ATOM 1142 CD PRO A 89 7.572 -3.801 8.517 1.00 0.00 C ATOM 0 HA PRO A 89 7.446 -0.591 9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.992 -1.557 8.913 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.032 -2.070 10.286 1.00 0.00 H new ATOM 0 HG2 PRO A 89 9.537 -3.505 7.688 1.00 0.00 H new ATOM 0 HG3 PRO A 89 9.540 -4.148 9.318 1.00 0.00 H new ATOM 0 HD2 PRO A 89 7.388 -4.417 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.214 -4.363 9.380 1.00 0.00 H new ATOM 1150 N LEU A 90 8.483 -1.557 6.256 1.00 0.00 N ATOM 1151 CA LEU A 90 8.824 -1.055 4.932 1.00 0.00 C ATOM 1152 C LEU A 90 7.737 -0.113 4.426 1.00 0.00 C ATOM 1153 O LEU A 90 8.006 0.814 3.662 1.00 0.00 O ATOM 1154 CB LEU A 90 9.004 -2.216 3.952 1.00 0.00 C ATOM 1155 CG LEU A 90 10.249 -3.074 4.186 1.00 0.00 C ATOM 1156 CD1 LEU A 90 10.093 -4.432 3.519 1.00 0.00 C ATOM 1157 CD2 LEU A 90 11.490 -2.363 3.667 1.00 0.00 C ATOM 0 H LEU A 90 8.481 -2.574 6.334 1.00 0.00 H new ATOM 0 HA LEU A 90 9.763 -0.505 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.124 -2.857 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.043 -1.814 2.940 1.00 0.00 H new ATOM 0 HG LEU A 90 10.365 -3.230 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.988 -5.029 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.226 -4.945 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.953 -4.297 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.367 -2.987 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.383 -2.178 2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.611 -1.414 4.189 1.00 0.00 H new ATOM 1169 N ILE A 91 6.508 -0.354 4.872 1.00 0.00 N ATOM 1170 CA ILE A 91 5.372 0.468 4.483 1.00 0.00 C ATOM 1171 C ILE A 91 5.359 1.774 5.275 1.00 0.00 C ATOM 1172 O ILE A 91 5.180 2.851 4.709 1.00 0.00 O ATOM 1173 CB ILE A 91 4.041 -0.290 4.705 1.00 0.00 C ATOM 1174 CG1 ILE A 91 3.923 -1.447 3.711 1.00 0.00 C ATOM 1175 CG2 ILE A 91 2.842 0.646 4.579 1.00 0.00 C ATOM 1176 CD1 ILE A 91 2.926 -2.504 4.132 1.00 0.00 C ATOM 0 H ILE A 91 6.275 -1.117 5.507 1.00 0.00 H new ATOM 0 HA ILE A 91 5.472 0.696 3.422 1.00 0.00 H new ATOM 0 HB ILE A 91 4.044 -0.691 5.718 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.632 -1.051 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 91 4.902 -1.911 3.587 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.923 0.083 4.740 1.00 0.00 H new ATOM 0 HG22 ILE A 91 2.918 1.438 5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.828 1.087 3.582 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.894 -3.294 3.381 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.227 -2.927 5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 91 1.938 -2.054 4.228 1.00 0.00 H new ATOM 1188 N ALA A 92 5.541 1.668 6.586 1.00 0.00 N ATOM 1189 CA ALA A 92 5.539 2.832 7.456 1.00 0.00 C ATOM 1190 C ALA A 92 6.811 3.665 7.314 1.00 0.00 C ATOM 1191 O ALA A 92 6.935 4.721 7.934 1.00 0.00 O ATOM 1192 CB ALA A 92 5.356 2.405 8.904 1.00 0.00 C ATOM 0 H ALA A 92 5.692 0.782 7.069 1.00 0.00 H new ATOM 0 HA ALA A 92 4.702 3.460 7.151 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.356 3.286 9.546 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.408 1.878 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.173 1.744 9.194 1.00 0.00 H new ATOM 1198 N GLU A 93 7.760 3.195 6.507 1.00 0.00 N ATOM 1199 CA GLU A 93 9.011 3.923 6.315 1.00 0.00 C ATOM 1200 C GLU A 93 9.133 4.475 4.896 1.00 0.00 C ATOM 1201 O GLU A 93 10.119 5.132 4.563 1.00 0.00 O ATOM 1202 CB GLU A 93 10.208 3.023 6.632 1.00 0.00 C ATOM 1203 CG GLU A 93 10.387 1.873 5.655 1.00 0.00 C ATOM 1204 CD GLU A 93 11.804 1.774 5.124 1.00 0.00 C ATOM 1205 OE1 GLU A 93 12.151 2.547 4.207 1.00 0.00 O ATOM 1206 OE2 GLU A 93 12.567 0.922 5.627 1.00 0.00 O ATOM 0 H GLU A 93 7.688 2.324 5.981 1.00 0.00 H new ATOM 0 HA GLU A 93 9.005 4.768 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.115 3.628 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.090 2.618 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.122 0.938 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.698 2.000 4.820 1.00 0.00 H new ATOM 1213 N SER A 94 8.130 4.215 4.062 1.00 0.00 N ATOM 1214 CA SER A 94 8.143 4.702 2.688 1.00 0.00 C ATOM 1215 C SER A 94 8.093 6.226 2.644 1.00 0.00 C ATOM 1216 O SER A 94 8.397 6.838 1.620 1.00 0.00 O ATOM 1217 CB SER A 94 6.967 4.117 1.905 1.00 0.00 C ATOM 1218 OG SER A 94 6.932 2.705 2.017 1.00 0.00 O ATOM 0 H SER A 94 7.303 3.673 4.312 1.00 0.00 H new ATOM 0 HA SER A 94 9.075 4.377 2.226 1.00 0.00 H new ATOM 0 HB2 SER A 94 6.033 4.538 2.277 1.00 0.00 H new ATOM 0 HB3 SER A 94 7.048 4.400 0.855 1.00 0.00 H new ATOM 0 HG SER A 94 7.590 2.413 2.682 1.00 0.00 H new ATOM 1224 N GLY A 95 7.712 6.832 3.762 1.00 0.00 N ATOM 1225 CA GLY A 95 7.633 8.280 3.830 1.00 0.00 C ATOM 1226 C GLY A 95 6.218 8.796 3.643 1.00 0.00 C ATOM 1227 O GLY A 95 5.254 8.135 4.025 1.00 0.00 O ATOM 0 H GLY A 95 7.456 6.348 4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.014 8.616 4.794 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.278 8.712 3.064 1.00 0.00 H new ATOM 1231 N ASN A 96 6.098 9.983 3.057 1.00 0.00 N ATOM 1232 CA ASN A 96 4.793 10.591 2.821 1.00 0.00 C ATOM 1233 C ASN A 96 4.051 9.895 1.680 1.00 0.00 C ATOM 1234 O ASN A 96 2.876 10.167 1.439 1.00 0.00 O ATOM 1235 CB ASN A 96 4.950 12.079 2.504 1.00 0.00 C ATOM 1236 CG ASN A 96 5.584 12.850 3.646 1.00 0.00 C ATOM 1237 OD1 ASN A 96 6.604 13.516 3.468 1.00 0.00 O ATOM 1238 ND2 ASN A 96 4.982 12.761 4.826 1.00 0.00 N ATOM 0 H ASN A 96 6.888 10.543 2.737 1.00 0.00 H new ATOM 0 HA ASN A 96 4.205 10.475 3.731 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.560 12.194 1.608 1.00 0.00 H new ATOM 0 HB3 ASN A 96 3.972 12.505 2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 96 5.363 13.257 5.632 1.00 0.00 H new ATOM 0 HD22 ASN A 96 4.138 12.197 4.927 1.00 0.00 H new ATOM 1245 N LYS A 97 4.741 8.997 0.978 1.00 0.00 N ATOM 1246 CA LYS A 97 4.137 8.270 -0.132 1.00 0.00 C ATOM 1247 C LYS A 97 4.602 6.817 -0.147 1.00 0.00 C ATOM 1248 O LYS A 97 5.729 6.513 0.244 1.00 0.00 O ATOM 1249 CB LYS A 97 4.486 8.947 -1.460 1.00 0.00 C ATOM 1250 CG LYS A 97 3.341 9.754 -2.050 1.00 0.00 C ATOM 1251 CD LYS A 97 3.264 9.590 -3.559 1.00 0.00 C ATOM 1252 CE LYS A 97 4.430 10.276 -4.255 1.00 0.00 C ATOM 1253 NZ LYS A 97 4.023 11.567 -4.874 1.00 0.00 N ATOM 0 H LYS A 97 5.716 8.758 1.159 1.00 0.00 H new ATOM 0 HA LYS A 97 3.055 8.283 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.343 9.604 -1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.790 8.185 -2.178 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.401 9.436 -1.600 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.472 10.808 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.261 8.530 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 97 2.325 10.007 -3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 97 5.229 10.454 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.834 9.616 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.845 12.004 -5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.278 11.394 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.661 12.206 -4.138 1.00 0.00 H new ATOM 1267 N LEU A 98 3.729 5.922 -0.600 1.00 0.00 N ATOM 1268 CA LEU A 98 4.059 4.502 -0.660 1.00 0.00 C ATOM 1269 C LEU A 98 3.694 3.907 -2.017 1.00 0.00 C ATOM 1270 O LEU A 98 2.545 3.531 -2.249 1.00 0.00 O ATOM 1271 CB LEU A 98 3.327 3.737 0.447 1.00 0.00 C ATOM 1272 CG LEU A 98 4.135 2.632 1.141 1.00 0.00 C ATOM 1273 CD1 LEU A 98 3.199 1.618 1.777 1.00 0.00 C ATOM 1274 CD2 LEU A 98 5.071 1.945 0.156 1.00 0.00 C ATOM 0 H LEU A 98 2.792 6.153 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 98 5.135 4.406 -0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.001 4.452 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.428 3.291 0.021 1.00 0.00 H new ATOM 0 HG LEU A 98 4.741 3.090 1.923 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.784 0.839 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.570 2.116 2.515 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.571 1.170 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.633 1.166 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.488 1.499 -0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.763 2.677 -0.259 1.00 0.00 H new ATOM 1286 N ASP A 99 4.678 3.806 -2.901 1.00 0.00 N ATOM 1287 CA ASP A 99 4.460 3.236 -4.225 1.00 0.00 C ATOM 1288 C ASP A 99 4.789 1.749 -4.208 1.00 0.00 C ATOM 1289 O ASP A 99 5.923 1.362 -3.927 1.00 0.00 O ATOM 1290 CB ASP A 99 5.321 3.953 -5.266 1.00 0.00 C ATOM 1291 CG ASP A 99 4.554 5.023 -6.016 1.00 0.00 C ATOM 1292 OD1 ASP A 99 4.414 6.141 -5.478 1.00 0.00 O ATOM 1293 OD2 ASP A 99 4.093 4.743 -7.143 1.00 0.00 O ATOM 0 H ASP A 99 5.635 4.111 -2.726 1.00 0.00 H new ATOM 0 HA ASP A 99 3.412 3.368 -4.494 1.00 0.00 H new ATOM 0 HB2 ASP A 99 6.181 4.406 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 99 5.709 3.223 -5.977 1.00 0.00 H new ATOM 1298 N LEU A 100 3.794 0.916 -4.491 1.00 0.00 N ATOM 1299 CA LEU A 100 4.005 -0.527 -4.484 1.00 0.00 C ATOM 1300 C LEU A 100 3.094 -1.245 -5.475 1.00 0.00 C ATOM 1301 O LEU A 100 2.014 -0.760 -5.815 1.00 0.00 O ATOM 1302 CB LEU A 100 3.762 -1.078 -3.079 1.00 0.00 C ATOM 1303 CG LEU A 100 2.424 -0.677 -2.454 1.00 0.00 C ATOM 1304 CD1 LEU A 100 1.402 -1.791 -2.615 1.00 0.00 C ATOM 1305 CD2 LEU A 100 2.604 -0.326 -0.986 1.00 0.00 C ATOM 0 H LEU A 100 2.846 1.209 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 100 5.036 -0.708 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.818 -2.166 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.567 -0.739 -2.427 1.00 0.00 H new ATOM 0 HG LEU A 100 2.054 0.206 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.458 -1.486 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.249 -1.994 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.766 -2.692 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.642 -0.043 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.999 -1.190 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 100 3.301 0.507 -0.894 1.00 0.00 H new ATOM 1317 N VAL A 101 3.540 -2.418 -5.916 1.00 0.00 N ATOM 1318 CA VAL A 101 2.775 -3.235 -6.848 1.00 0.00 C ATOM 1319 C VAL A 101 2.288 -4.500 -6.152 1.00 0.00 C ATOM 1320 O VAL A 101 3.079 -5.385 -5.831 1.00 0.00 O ATOM 1321 CB VAL A 101 3.619 -3.628 -8.076 1.00 0.00 C ATOM 1322 CG1 VAL A 101 2.757 -4.328 -9.117 1.00 0.00 C ATOM 1323 CG2 VAL A 101 4.300 -2.402 -8.673 1.00 0.00 C ATOM 0 H VAL A 101 4.434 -2.825 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 101 1.925 -2.643 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 101 4.393 -4.324 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.371 -4.597 -9.976 1.00 0.00 H new ATOM 0 HG12 VAL A 101 2.323 -5.229 -8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.958 -3.659 -9.437 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.891 -2.700 -9.539 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.544 -1.680 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 101 4.952 -1.949 -7.927 1.00 0.00 H new ATOM 1333 N ILE A 102 0.986 -4.572 -5.907 1.00 0.00 N ATOM 1334 CA ILE A 102 0.404 -5.724 -5.229 1.00 0.00 C ATOM 1335 C ILE A 102 -0.363 -6.617 -6.198 1.00 0.00 C ATOM 1336 O ILE A 102 -0.666 -6.219 -7.323 1.00 0.00 O ATOM 1337 CB ILE A 102 -0.554 -5.282 -4.106 1.00 0.00 C ATOM 1338 CG1 ILE A 102 -1.701 -4.453 -4.687 1.00 0.00 C ATOM 1339 CG2 ILE A 102 0.192 -4.489 -3.037 1.00 0.00 C ATOM 1340 CD1 ILE A 102 -2.842 -5.294 -5.212 1.00 0.00 C ATOM 0 H ILE A 102 0.315 -3.849 -6.166 1.00 0.00 H new ATOM 0 HA ILE A 102 1.235 -6.287 -4.803 1.00 0.00 H new ATOM 0 HB ILE A 102 -0.969 -6.174 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.079 -3.780 -3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -1.317 -3.830 -5.495 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.505 -4.188 -2.255 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.977 -5.110 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.638 -3.602 -3.487 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.621 -4.643 -5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -2.477 -5.949 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.252 -5.898 -4.402 1.00 0.00 H new ATOM 1352 N SER A 103 -0.683 -7.826 -5.744 1.00 0.00 N ATOM 1353 CA SER A 103 -1.427 -8.781 -6.560 1.00 0.00 C ATOM 1354 C SER A 103 -2.550 -9.420 -5.747 1.00 0.00 C ATOM 1355 O SER A 103 -2.322 -9.914 -4.642 1.00 0.00 O ATOM 1356 CB SER A 103 -0.489 -9.862 -7.099 1.00 0.00 C ATOM 1357 OG SER A 103 -0.183 -10.818 -6.098 1.00 0.00 O ATOM 0 H SER A 103 -0.438 -8.168 -4.815 1.00 0.00 H new ATOM 0 HA SER A 103 -1.868 -8.245 -7.401 1.00 0.00 H new ATOM 0 HB2 SER A 103 -0.953 -10.359 -7.951 1.00 0.00 H new ATOM 0 HB3 SER A 103 0.431 -9.402 -7.461 1.00 0.00 H new ATOM 0 HG SER A 103 0.588 -11.353 -6.381 1.00 0.00 H new ATOM 1363 N ARG A 104 -3.765 -9.402 -6.293 1.00 0.00 N ATOM 1364 CA ARG A 104 -4.920 -9.973 -5.603 1.00 0.00 C ATOM 1365 C ARG A 104 -5.669 -10.964 -6.492 1.00 0.00 C ATOM 1366 O ARG A 104 -5.918 -10.699 -7.668 1.00 0.00 O ATOM 1367 CB ARG A 104 -5.870 -8.859 -5.146 1.00 0.00 C ATOM 1368 CG ARG A 104 -7.198 -9.362 -4.598 1.00 0.00 C ATOM 1369 CD ARG A 104 -8.300 -8.329 -4.766 1.00 0.00 C ATOM 1370 NE ARG A 104 -8.843 -8.326 -6.124 1.00 0.00 N ATOM 1371 CZ ARG A 104 -10.110 -8.043 -6.420 1.00 0.00 C ATOM 1372 NH1 ARG A 104 -10.974 -7.728 -5.461 1.00 0.00 N ATOM 1373 NH2 ARG A 104 -10.516 -8.071 -7.681 1.00 0.00 N ATOM 0 H ARG A 104 -3.974 -9.000 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 104 -4.552 -10.513 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -5.374 -8.265 -4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.065 -8.194 -5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.479 -10.282 -5.111 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.087 -9.608 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.101 -8.534 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.909 -7.339 -4.529 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.212 -8.555 -6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.669 -7.701 -4.488 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.943 -7.513 -5.698 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.858 -8.309 -8.423 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.486 -7.854 -7.909 1.00 0.00 H new ATOM 1387 N ASN A 105 -6.037 -12.101 -5.909 1.00 0.00 N ATOM 1388 CA ASN A 105 -6.775 -13.134 -6.627 1.00 0.00 C ATOM 1389 C ASN A 105 -8.274 -13.007 -6.352 1.00 0.00 C ATOM 1390 O ASN A 105 -8.726 -13.252 -5.234 1.00 0.00 O ATOM 1391 CB ASN A 105 -6.289 -14.520 -6.200 1.00 0.00 C ATOM 1392 CG ASN A 105 -6.352 -14.711 -4.698 1.00 0.00 C ATOM 1393 OD1 ASN A 105 -5.286 -14.326 -4.009 1.00 0.00 O flip ATOM 1394 ND2 ASN A 105 -7.348 -15.202 -4.164 1.00 0.00 N flip ATOM 0 H ASN A 105 -5.835 -12.331 -4.936 1.00 0.00 H new ATOM 0 HA ASN A 105 -6.599 -13.005 -7.695 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -6.897 -15.282 -6.687 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -5.264 -14.664 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -8.146 -15.484 -4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -7.375 -15.326 -3.152 1.00 0.00 H new ATOM 1401 N PRO A 106 -9.071 -12.622 -7.367 1.00 0.00 N ATOM 1402 CA PRO A 106 -10.519 -12.467 -7.208 1.00 0.00 C ATOM 1403 C PRO A 106 -11.246 -13.807 -7.179 1.00 0.00 C ATOM 1404 O PRO A 106 -10.992 -14.637 -8.077 1.00 0.00 O ATOM 1405 CB PRO A 106 -10.919 -11.667 -8.445 1.00 0.00 C ATOM 1406 CG PRO A 106 -9.922 -12.061 -9.479 1.00 0.00 C ATOM 1407 CD PRO A 106 -8.631 -12.303 -8.740 1.00 0.00 C ATOM 1408 OXT PRO A 106 -12.064 -14.017 -6.257 1.00 0.00 O ATOM 0 HA PRO A 106 -10.780 -11.985 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.935 -11.905 -8.761 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.889 -10.595 -8.252 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.243 -12.958 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.803 -11.276 -10.226 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -8.065 -13.124 -9.180 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.987 -11.424 -8.760 1.00 0.00 H new