USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 788 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 102 CYS SG : rot 180:sc= -0.659 USER MOD Set 1.2: A 106 HIS : no HD1:sc= -1.84 K(o=-2.5,f=1.5) USER MOD Set 2.1: A 46 SER OG : rot -80:sc= 0.058 USER MOD Set 2.2: A 49 GLN : amide:sc= -0.782 K(o=-0.72,f=-0.22) USER MOD Single : A 9 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.21) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -137:sc= -0.595 (180deg=-0.785) USER MOD Single : A 16 LYS NZ :NH3+ -165:sc= -0.0402 (180deg=-0.278) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.971 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 19 ASN : amide:sc= -0.741 K(o=-0.74,f=-2.1!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00953 USER MOD Single : A 25 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.8!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -2.12 K(o=-2.1,f=-7.5!) USER MOD Single : A 33 ASN : amide:sc=-0.00895 X(o=-0.009,f=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -3.82! C(o=-3.8!,f=-3.5!) USER MOD Single : A 45 GLN : amide:sc= -0.0165 X(o=-0.017,f=-0.31) USER MOD Single : A 48 ASN : amide:sc= -0.868 K(o=-0.87,f=-0.015) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -165:sc= 0.265 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-6.4!) USER MOD Single : A 71 THR OG1 : rot -42:sc= -0.112 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.797 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= -2.66! C(o=-2.7!,f=-4.4!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -2.86! C(o=-2.9!,f=-8.4!) USER MOD Single : A 103 THR OG1 : rot 40:sc= 1.48 USER MOD Single : A 104 GLN : amide:sc= -0.147 K(o=-0.15,f=-2.3!) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 107 THR OG1 : rot -36:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N ASN A 9 -1.578 -0.229 12.577 1.00 0.00 N ATOM 82 CA ASN A 9 -0.482 -0.993 11.993 1.00 0.00 C ATOM 83 C ASN A 9 -0.912 -2.430 11.710 1.00 0.00 C ATOM 84 O ASN A 9 -1.176 -3.203 12.631 1.00 0.00 O ATOM 85 CB ASN A 9 0.728 -0.986 12.929 1.00 0.00 C ATOM 86 CG ASN A 9 0.329 -1.059 14.390 1.00 0.00 C ATOM 87 OD1 ASN A 9 -0.691 -1.654 14.738 1.00 0.00 O ATOM 88 ND2 ASN A 9 1.135 -0.452 15.254 1.00 0.00 N ATOM 0 HA ASN A 9 -0.205 -0.522 11.050 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.374 -1.830 12.689 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.310 -0.080 12.759 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.919 -0.467 16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 9 1.970 0.029 14.921 1.00 0.00 H new ATOM 95 N VAL A 10 -0.979 -2.780 10.430 1.00 0.00 N ATOM 96 CA VAL A 10 -1.374 -4.124 10.024 1.00 0.00 C ATOM 97 C VAL A 10 -0.160 -5.033 9.877 1.00 0.00 C ATOM 98 O VAL A 10 0.808 -4.689 9.198 1.00 0.00 O ATOM 99 CB VAL A 10 -2.151 -4.103 8.694 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.562 -5.512 8.294 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.366 -3.194 8.801 1.00 0.00 C ATOM 0 H VAL A 10 -0.765 -2.152 9.656 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.022 -4.514 10.809 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.497 -3.707 7.917 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.110 -5.478 7.352 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.672 -6.130 8.174 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.199 -5.939 9.069 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.903 -3.191 7.852 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.024 -3.558 9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.042 -2.180 9.038 1.00 0.00 H new ATOM 111 N TYR A 11 -0.217 -6.196 10.517 1.00 0.00 N ATOM 112 CA TYR A 11 0.879 -7.155 10.459 1.00 0.00 C ATOM 113 C TYR A 11 0.356 -8.586 10.541 1.00 0.00 C ATOM 114 O TYR A 11 -0.784 -8.821 10.941 1.00 0.00 O ATOM 115 CB TYR A 11 1.870 -6.898 11.595 1.00 0.00 C ATOM 116 CG TYR A 11 1.231 -6.320 12.838 1.00 0.00 C ATOM 117 CD1 TYR A 11 0.095 -6.899 13.391 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.761 -5.195 13.457 1.00 0.00 C ATOM 119 CE1 TYR A 11 -0.493 -6.374 14.526 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.181 -4.665 14.593 1.00 0.00 C ATOM 121 CZ TYR A 11 0.054 -5.258 15.123 1.00 0.00 C ATOM 122 OH TYR A 11 -0.529 -4.731 16.254 1.00 0.00 O ATOM 0 H TYR A 11 -1.011 -6.497 11.082 1.00 0.00 H new ATOM 0 HA TYR A 11 1.389 -7.027 9.504 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.365 -7.834 11.853 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.644 -6.215 11.243 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.335 -7.774 12.926 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.642 -4.727 13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.376 -6.835 14.943 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.607 -3.791 15.064 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.020 -3.947 16.549 1.00 0.00 H new ATOM 132 N GLY A 12 1.199 -9.540 10.158 1.00 0.00 N ATOM 133 CA GLY A 12 0.805 -10.937 10.195 1.00 0.00 C ATOM 134 C GLY A 12 1.815 -11.842 9.517 1.00 0.00 C ATOM 135 O GLY A 12 2.455 -11.448 8.542 1.00 0.00 O ATOM 0 H GLY A 12 2.147 -9.371 9.823 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.681 -11.249 11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.164 -11.051 9.709 1.00 0.00 H new ATOM 139 N TYR A 13 1.958 -13.057 10.035 1.00 0.00 N ATOM 140 CA TYR A 13 2.900 -14.019 9.476 1.00 0.00 C ATOM 141 C TYR A 13 2.399 -14.560 8.140 1.00 0.00 C ATOM 142 O TYR A 13 1.476 -15.374 8.094 1.00 0.00 O ATOM 143 CB TYR A 13 3.124 -15.173 10.454 1.00 0.00 C ATOM 144 CG TYR A 13 4.231 -14.916 11.451 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.115 -13.912 12.405 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.395 -15.676 11.438 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.124 -13.673 13.317 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.408 -15.445 12.348 1.00 0.00 C ATOM 149 CZ TYR A 13 6.269 -14.442 13.285 1.00 0.00 C ATOM 150 OH TYR A 13 7.277 -14.208 14.192 1.00 0.00 O ATOM 0 H TYR A 13 1.434 -13.399 10.841 1.00 0.00 H new ATOM 0 HA TYR A 13 3.847 -13.505 9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.197 -15.365 10.995 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.357 -16.076 9.890 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.220 -13.308 12.434 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.509 -16.460 10.704 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.017 -12.888 14.051 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.305 -16.047 12.326 1.00 0.00 H new ATOM 0 HH TYR A 13 8.012 -14.837 14.034 1.00 0.00 H new ATOM 160 N LEU A 14 3.013 -14.101 7.055 1.00 0.00 N ATOM 161 CA LEU A 14 2.631 -14.539 5.717 1.00 0.00 C ATOM 162 C LEU A 14 3.690 -15.462 5.123 1.00 0.00 C ATOM 163 O LEU A 14 4.788 -15.591 5.662 1.00 0.00 O ATOM 164 CB LEU A 14 2.422 -13.329 4.804 1.00 0.00 C ATOM 165 CG LEU A 14 1.550 -12.206 5.367 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.818 -10.902 4.632 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.077 -12.579 5.276 1.00 0.00 C ATOM 0 H LEU A 14 3.777 -13.426 7.076 1.00 0.00 H new ATOM 0 HA LEU A 14 1.696 -15.093 5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.399 -12.914 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.976 -13.675 3.872 1.00 0.00 H new ATOM 0 HG LEU A 14 1.805 -12.065 6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.188 -10.115 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.866 -10.627 4.749 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.592 -11.028 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.529 -11.769 5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.192 -12.747 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.104 -13.489 5.849 1.00 0.00 H new ATOM 179 N MET A 15 3.352 -16.100 4.007 1.00 0.00 N ATOM 180 CA MET A 15 4.275 -17.008 3.337 1.00 0.00 C ATOM 181 C MET A 15 4.707 -16.447 1.986 1.00 0.00 C ATOM 182 O MET A 15 3.891 -16.293 1.077 1.00 0.00 O ATOM 183 CB MET A 15 3.627 -18.381 3.148 1.00 0.00 C ATOM 184 CG MET A 15 3.303 -19.085 4.456 1.00 0.00 C ATOM 185 SD MET A 15 3.198 -20.876 4.273 1.00 0.00 S ATOM 186 CE MET A 15 4.934 -21.311 4.201 1.00 0.00 C ATOM 0 H MET A 15 2.446 -16.005 3.548 1.00 0.00 H new ATOM 0 HA MET A 15 5.159 -17.115 3.965 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.710 -18.264 2.571 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.295 -19.011 2.561 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.068 -18.843 5.194 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.357 -18.707 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 15 5.091 -22.052 3.418 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.523 -20.421 3.982 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.245 -21.725 5.160 1.00 0.00 H new ATOM 196 N LYS A 16 5.994 -16.141 1.861 1.00 0.00 N ATOM 197 CA LYS A 16 6.535 -15.597 0.621 1.00 0.00 C ATOM 198 C LYS A 16 7.252 -16.678 -0.180 1.00 0.00 C ATOM 199 O LYS A 16 7.947 -17.524 0.383 1.00 0.00 O ATOM 200 CB LYS A 16 7.499 -14.447 0.923 1.00 0.00 C ATOM 201 CG LYS A 16 7.701 -13.500 -0.248 1.00 0.00 C ATOM 202 CD LYS A 16 8.660 -12.376 0.104 1.00 0.00 C ATOM 203 CE LYS A 16 8.916 -11.467 -1.089 1.00 0.00 C ATOM 204 NZ LYS A 16 9.563 -12.198 -2.214 1.00 0.00 N ATOM 0 H LYS A 16 6.682 -16.261 2.604 1.00 0.00 H new ATOM 0 HA LYS A 16 5.704 -15.220 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.122 -13.882 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.464 -14.860 1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.087 -14.055 -1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.741 -13.080 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.250 -11.791 0.927 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.604 -12.797 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.973 -11.039 -1.429 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.551 -10.636 -0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.949 -11.514 -2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.333 -12.792 -1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.859 -12.799 -2.688 1.00 0.00 H new ATOM 218 N TYR A 17 7.080 -16.644 -1.497 1.00 0.00 N ATOM 219 CA TYR A 17 7.710 -17.622 -2.376 1.00 0.00 C ATOM 220 C TYR A 17 9.147 -17.221 -2.695 1.00 0.00 C ATOM 221 O TYR A 17 9.390 -16.339 -3.519 1.00 0.00 O ATOM 222 CB TYR A 17 6.909 -17.767 -3.671 1.00 0.00 C ATOM 223 CG TYR A 17 7.066 -19.117 -4.333 1.00 0.00 C ATOM 224 CD1 TYR A 17 8.131 -19.373 -5.187 1.00 0.00 C ATOM 225 CD2 TYR A 17 6.150 -20.136 -4.104 1.00 0.00 C ATOM 226 CE1 TYR A 17 8.279 -20.605 -5.795 1.00 0.00 C ATOM 227 CE2 TYR A 17 6.290 -21.371 -4.706 1.00 0.00 C ATOM 228 CZ TYR A 17 7.356 -21.601 -5.551 1.00 0.00 C ATOM 229 OH TYR A 17 7.500 -22.829 -6.154 1.00 0.00 O ATOM 0 H TYR A 17 6.509 -15.950 -1.979 1.00 0.00 H new ATOM 0 HA TYR A 17 7.726 -18.581 -1.858 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.854 -17.598 -3.456 1.00 0.00 H new ATOM 0 HB3 TYR A 17 7.221 -16.991 -4.370 1.00 0.00 H new ATOM 0 HD1 TYR A 17 8.856 -18.596 -5.379 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.314 -19.959 -3.444 1.00 0.00 H new ATOM 0 HE1 TYR A 17 9.112 -20.787 -6.457 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.569 -22.152 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 17 6.767 -23.418 -5.876 1.00 0.00 H new ATOM 239 N THR A 18 10.098 -17.878 -2.038 1.00 0.00 N ATOM 240 CA THR A 18 11.511 -17.591 -2.250 1.00 0.00 C ATOM 241 C THR A 18 11.983 -18.125 -3.598 1.00 0.00 C ATOM 242 O THR A 18 12.603 -17.403 -4.378 1.00 0.00 O ATOM 243 CB THR A 18 12.381 -18.201 -1.136 1.00 0.00 C ATOM 244 OG1 THR A 18 12.453 -19.623 -1.293 1.00 0.00 O ATOM 245 CG2 THR A 18 11.817 -17.866 0.237 1.00 0.00 C ATOM 0 H THR A 18 9.915 -18.613 -1.355 1.00 0.00 H new ATOM 0 HA THR A 18 11.620 -16.507 -2.233 1.00 0.00 H new ATOM 0 HB THR A 18 13.382 -17.776 -1.214 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.010 -20.003 -0.581 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.449 -18.308 1.008 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.791 -16.784 0.366 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.807 -18.266 0.323 1.00 0.00 H new ATOM 253 N ASN A 19 11.686 -19.392 -3.865 1.00 0.00 N ATOM 254 CA ASN A 19 12.081 -20.022 -5.120 1.00 0.00 C ATOM 255 C ASN A 19 11.229 -21.256 -5.401 1.00 0.00 C ATOM 256 O ASN A 19 10.396 -21.648 -4.583 1.00 0.00 O ATOM 257 CB ASN A 19 13.561 -20.409 -5.076 1.00 0.00 C ATOM 258 CG ASN A 19 14.469 -19.271 -5.501 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.131 -18.492 -6.393 1.00 0.00 O ATOM 260 ND2 ASN A 19 15.629 -19.171 -4.863 1.00 0.00 N ATOM 0 H ASN A 19 11.173 -20.003 -3.229 1.00 0.00 H new ATOM 0 HA ASN A 19 11.924 -19.303 -5.924 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.822 -20.720 -4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.729 -21.267 -5.727 1.00 0.00 H new ATOM 0 HD21 ASN A 19 16.282 -18.426 -5.106 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.867 -19.839 -4.130 1.00 0.00 H new ATOM 267 N LEU A 20 11.444 -21.864 -6.562 1.00 0.00 N ATOM 268 CA LEU A 20 10.696 -23.055 -6.952 1.00 0.00 C ATOM 269 C LEU A 20 11.048 -24.237 -6.055 1.00 0.00 C ATOM 270 O LEU A 20 10.173 -24.837 -5.429 1.00 0.00 O ATOM 271 CB LEU A 20 10.984 -23.406 -8.413 1.00 0.00 C ATOM 272 CG LEU A 20 9.997 -24.365 -9.079 1.00 0.00 C ATOM 273 CD1 LEU A 20 9.874 -24.058 -10.564 1.00 0.00 C ATOM 274 CD2 LEU A 20 10.429 -25.808 -8.866 1.00 0.00 C ATOM 0 H LEU A 20 12.130 -21.553 -7.250 1.00 0.00 H new ATOM 0 HA LEU A 20 9.633 -22.840 -6.838 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.008 -22.482 -8.990 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.981 -23.844 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 20 9.019 -24.227 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.167 -24.751 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.518 -23.036 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.849 -24.167 -11.040 1.00 0.00 H new ATOM 0 HD21 LEU A 20 9.715 -26.476 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.417 -25.960 -9.300 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.465 -26.023 -7.798 1.00 0.00 H new ATOM 286 N VAL A 21 12.335 -24.565 -5.994 1.00 0.00 N ATOM 287 CA VAL A 21 12.803 -25.673 -5.170 1.00 0.00 C ATOM 288 C VAL A 21 12.321 -25.529 -3.731 1.00 0.00 C ATOM 289 O VAL A 21 11.699 -26.438 -3.179 1.00 0.00 O ATOM 290 CB VAL A 21 14.340 -25.767 -5.178 1.00 0.00 C ATOM 291 CG1 VAL A 21 14.960 -24.421 -4.839 1.00 0.00 C ATOM 292 CG2 VAL A 21 14.813 -26.840 -4.209 1.00 0.00 C ATOM 0 H VAL A 21 13.072 -24.079 -6.505 1.00 0.00 H new ATOM 0 HA VAL A 21 12.388 -26.585 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 21 14.664 -26.046 -6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.046 -24.508 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.648 -23.681 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.631 -24.108 -3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.902 -26.893 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.479 -26.593 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL A 21 14.398 -27.804 -4.503 1.00 0.00 H new ATOM 302 N THR A 22 12.612 -24.382 -3.126 1.00 0.00 N ATOM 303 CA THR A 22 12.210 -24.118 -1.751 1.00 0.00 C ATOM 304 C THR A 22 10.693 -24.019 -1.631 1.00 0.00 C ATOM 305 O THR A 22 10.071 -24.760 -0.872 1.00 0.00 O ATOM 306 CB THR A 22 12.842 -22.818 -1.219 1.00 0.00 C ATOM 307 OG1 THR A 22 14.167 -22.669 -1.741 1.00 0.00 O ATOM 308 CG2 THR A 22 12.887 -22.821 0.301 1.00 0.00 C ATOM 0 H THR A 22 13.126 -23.620 -3.568 1.00 0.00 H new ATOM 0 HA THR A 22 12.565 -24.956 -1.152 1.00 0.00 H new ATOM 0 HB THR A 22 12.227 -21.980 -1.546 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.562 -21.839 -1.400 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.337 -21.893 0.654 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.874 -22.905 0.695 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.482 -23.667 0.646 1.00 0.00 H new ATOM 316 N GLY A 23 10.104 -23.098 -2.387 1.00 0.00 N ATOM 317 CA GLY A 23 8.664 -22.919 -2.351 1.00 0.00 C ATOM 318 C GLY A 23 8.248 -21.737 -1.498 1.00 0.00 C ATOM 319 O GLY A 23 8.675 -20.608 -1.739 1.00 0.00 O ATOM 0 H GLY A 23 10.598 -22.473 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.293 -22.779 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.198 -23.825 -1.963 1.00 0.00 H new ATOM 323 N TRP A 24 7.411 -21.996 -0.499 1.00 0.00 N ATOM 324 CA TRP A 24 6.936 -20.944 0.392 1.00 0.00 C ATOM 325 C TRP A 24 7.704 -20.957 1.709 1.00 0.00 C ATOM 326 O TRP A 24 7.967 -22.018 2.273 1.00 0.00 O ATOM 327 CB TRP A 24 5.439 -21.111 0.659 1.00 0.00 C ATOM 328 CG TRP A 24 4.620 -21.206 -0.593 1.00 0.00 C ATOM 329 CD1 TRP A 24 4.569 -22.259 -1.461 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.735 -20.209 -1.116 1.00 0.00 C ATOM 331 NE1 TRP A 24 3.706 -21.976 -2.493 1.00 0.00 N ATOM 332 CE2 TRP A 24 3.181 -20.725 -2.304 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.356 -18.931 -0.696 1.00 0.00 C ATOM 334 CZ2 TRP A 24 2.271 -20.007 -3.074 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.452 -18.219 -1.462 1.00 0.00 C ATOM 336 CH2 TRP A 24 1.917 -18.758 -2.639 1.00 0.00 C ATOM 0 H TRP A 24 7.048 -22.925 -0.286 1.00 0.00 H new ATOM 0 HA TRP A 24 7.106 -19.985 -0.097 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.282 -22.009 1.257 1.00 0.00 H new ATOM 0 HB3 TRP A 24 5.087 -20.267 1.252 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.125 -23.179 -1.353 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.491 -22.597 -3.273 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.762 -18.507 0.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.859 -20.420 -3.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.153 -17.230 -1.148 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.212 -18.177 -3.215 1.00 0.00 H new ATOM 347 N GLN A 25 8.061 -19.771 2.193 1.00 0.00 N ATOM 348 CA GLN A 25 8.799 -19.648 3.444 1.00 0.00 C ATOM 349 C GLN A 25 8.100 -18.685 4.396 1.00 0.00 C ATOM 350 O GLN A 25 7.888 -17.517 4.069 1.00 0.00 O ATOM 351 CB GLN A 25 10.227 -19.170 3.173 1.00 0.00 C ATOM 352 CG GLN A 25 11.118 -20.235 2.553 1.00 0.00 C ATOM 353 CD GLN A 25 11.778 -21.120 3.592 1.00 0.00 C ATOM 354 OE1 GLN A 25 11.170 -21.469 4.603 1.00 0.00 O ATOM 355 NE2 GLN A 25 13.030 -21.488 3.346 1.00 0.00 N ATOM 0 H GLN A 25 7.851 -18.883 1.738 1.00 0.00 H new ATOM 0 HA GLN A 25 8.835 -20.631 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.192 -18.306 2.509 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.673 -18.835 4.109 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.524 -20.853 1.879 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.887 -19.754 1.950 1.00 0.00 H new ATOM 0 HE21 GLN A 25 13.496 -21.175 2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.526 -22.084 4.009 1.00 0.00 H new ATOM 364 N TYR A 26 7.743 -19.181 5.576 1.00 0.00 N ATOM 365 CA TYR A 26 7.065 -18.365 6.575 1.00 0.00 C ATOM 366 C TYR A 26 7.915 -17.159 6.962 1.00 0.00 C ATOM 367 O TYR A 26 9.143 -17.240 7.006 1.00 0.00 O ATOM 368 CB TYR A 26 6.749 -19.200 7.817 1.00 0.00 C ATOM 369 CG TYR A 26 5.402 -19.886 7.759 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.233 -19.153 7.603 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.301 -21.268 7.858 1.00 0.00 C ATOM 372 CE1 TYR A 26 3.001 -19.776 7.550 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.073 -21.900 7.805 1.00 0.00 C ATOM 374 CZ TYR A 26 2.926 -21.149 7.651 1.00 0.00 C ATOM 375 OH TYR A 26 1.701 -21.774 7.598 1.00 0.00 O ATOM 0 H TYR A 26 7.912 -20.145 5.863 1.00 0.00 H new ATOM 0 HA TYR A 26 6.133 -18.005 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.526 -19.954 7.945 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.782 -18.556 8.696 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.288 -18.077 7.522 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.197 -21.859 7.978 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.101 -19.191 7.430 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.012 -22.975 7.884 1.00 0.00 H new ATOM 0 HH TYR A 26 1.824 -22.743 7.683 1.00 0.00 H new ATOM 385 N ARG A 27 7.253 -16.042 7.243 1.00 0.00 N ATOM 386 CA ARG A 27 7.947 -14.818 7.626 1.00 0.00 C ATOM 387 C ARG A 27 6.985 -13.829 8.278 1.00 0.00 C ATOM 388 O ARG A 27 5.768 -14.005 8.226 1.00 0.00 O ATOM 389 CB ARG A 27 8.605 -14.176 6.404 1.00 0.00 C ATOM 390 CG ARG A 27 9.853 -14.904 5.931 1.00 0.00 C ATOM 391 CD ARG A 27 10.778 -13.979 5.156 1.00 0.00 C ATOM 392 NE ARG A 27 11.794 -14.718 4.412 1.00 0.00 N ATOM 393 CZ ARG A 27 12.870 -15.258 4.976 1.00 0.00 C ATOM 394 NH1 ARG A 27 13.068 -15.141 6.281 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.750 -15.916 4.232 1.00 0.00 N ATOM 0 H ARG A 27 6.237 -15.959 7.213 1.00 0.00 H new ATOM 0 HA ARG A 27 8.719 -15.079 8.350 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.883 -14.143 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.865 -13.144 6.642 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.384 -15.314 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.567 -15.746 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.190 -13.375 4.465 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.264 -13.290 5.847 1.00 0.00 H new ATOM 0 HE ARG A 27 11.672 -14.826 3.405 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.394 -14.636 6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.895 -15.556 6.711 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.601 -16.008 3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.575 -16.330 4.665 1.00 0.00 H new ATOM 409 N PHE A 28 7.540 -12.789 8.892 1.00 0.00 N ATOM 410 CA PHE A 28 6.732 -11.772 9.555 1.00 0.00 C ATOM 411 C PHE A 28 6.695 -10.486 8.735 1.00 0.00 C ATOM 412 O PHE A 28 7.722 -10.024 8.238 1.00 0.00 O ATOM 413 CB PHE A 28 7.284 -11.484 10.953 1.00 0.00 C ATOM 414 CG PHE A 28 6.567 -10.371 11.662 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.187 -10.387 11.787 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.272 -9.310 12.206 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.524 -9.364 12.438 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.615 -8.284 12.859 1.00 0.00 C ATOM 419 CZ PHE A 28 5.240 -8.312 12.977 1.00 0.00 C ATOM 0 H PHE A 28 8.546 -12.628 8.944 1.00 0.00 H new ATOM 0 HA PHE A 28 5.715 -12.153 9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.217 -12.390 11.555 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.341 -11.232 10.873 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.623 -11.209 11.371 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.348 -9.284 12.119 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.448 -9.387 12.525 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.177 -7.461 13.276 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.725 -7.513 13.490 1.00 0.00 H new ATOM 429 N PHE A 29 5.504 -9.913 8.598 1.00 0.00 N ATOM 430 CA PHE A 29 5.332 -8.681 7.837 1.00 0.00 C ATOM 431 C PHE A 29 4.703 -7.592 8.701 1.00 0.00 C ATOM 432 O PHE A 29 3.901 -7.875 9.591 1.00 0.00 O ATOM 433 CB PHE A 29 4.463 -8.935 6.604 1.00 0.00 C ATOM 434 CG PHE A 29 5.057 -9.929 5.647 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.261 -11.244 6.031 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.411 -9.547 4.362 1.00 0.00 C ATOM 437 CE1 PHE A 29 5.808 -12.160 5.153 1.00 0.00 C ATOM 438 CE2 PHE A 29 5.958 -10.459 3.479 1.00 0.00 C ATOM 439 CZ PHE A 29 6.156 -11.767 3.875 1.00 0.00 C ATOM 0 H PHE A 29 4.644 -10.282 9.004 1.00 0.00 H new ATOM 0 HA PHE A 29 6.317 -8.342 7.515 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.485 -9.292 6.926 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.302 -7.992 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.989 -11.557 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.258 -8.525 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.963 -13.182 5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.230 -10.149 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 29 6.582 -12.482 3.187 1.00 0.00 H new ATOM 449 N VAL A 30 5.072 -6.343 8.431 1.00 0.00 N ATOM 450 CA VAL A 30 4.544 -5.211 9.182 1.00 0.00 C ATOM 451 C VAL A 30 4.319 -4.006 8.275 1.00 0.00 C ATOM 452 O VAL A 30 5.270 -3.340 7.862 1.00 0.00 O ATOM 453 CB VAL A 30 5.490 -4.807 10.328 1.00 0.00 C ATOM 454 CG1 VAL A 30 4.910 -3.642 11.115 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.760 -5.995 11.239 1.00 0.00 C ATOM 0 H VAL A 30 5.734 -6.090 7.698 1.00 0.00 H new ATOM 0 HA VAL A 30 3.590 -5.528 9.603 1.00 0.00 H new ATOM 0 HB VAL A 30 6.438 -4.486 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.593 -3.371 11.920 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.773 -2.787 10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.948 -3.931 11.537 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.430 -5.692 12.043 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.821 -6.349 11.664 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.223 -6.797 10.664 1.00 0.00 H new ATOM 465 N LEU A 31 3.056 -3.732 7.967 1.00 0.00 N ATOM 466 CA LEU A 31 2.706 -2.606 7.108 1.00 0.00 C ATOM 467 C LEU A 31 3.021 -1.280 7.792 1.00 0.00 C ATOM 468 O LEU A 31 2.859 -1.142 9.004 1.00 0.00 O ATOM 469 CB LEU A 31 1.222 -2.663 6.739 1.00 0.00 C ATOM 470 CG LEU A 31 0.658 -1.429 6.034 1.00 0.00 C ATOM 471 CD1 LEU A 31 1.059 -1.422 4.568 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.857 -1.381 6.175 1.00 0.00 C ATOM 0 H LEU A 31 2.258 -4.274 8.299 1.00 0.00 H new ATOM 0 HA LEU A 31 3.303 -2.675 6.199 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.061 -3.529 6.097 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.648 -2.830 7.650 1.00 0.00 H new ATOM 0 HG LEU A 31 1.076 -0.541 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.649 -0.536 4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.146 -1.409 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.670 -2.316 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.242 -0.496 5.667 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.293 -2.274 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.123 -1.338 7.231 1.00 0.00 H new ATOM 484 N ASN A 32 3.469 -0.306 7.007 1.00 0.00 N ATOM 485 CA ASN A 32 3.806 1.010 7.537 1.00 0.00 C ATOM 486 C ASN A 32 2.888 2.081 6.956 1.00 0.00 C ATOM 487 O ASN A 32 3.006 2.447 5.787 1.00 0.00 O ATOM 488 CB ASN A 32 5.265 1.350 7.227 1.00 0.00 C ATOM 489 CG ASN A 32 5.825 2.401 8.167 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.098 2.978 8.976 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.125 2.654 8.063 1.00 0.00 N ATOM 0 H ASN A 32 3.607 -0.403 6.001 1.00 0.00 H new ATOM 0 HA ASN A 32 3.668 0.985 8.618 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.869 0.445 7.296 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.342 1.707 6.200 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.559 3.351 8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.689 2.151 7.378 1.00 0.00 H new ATOM 498 N ASN A 33 1.973 2.581 7.781 1.00 0.00 N ATOM 499 CA ASN A 33 1.035 3.610 7.349 1.00 0.00 C ATOM 500 C ASN A 33 1.711 4.978 7.303 1.00 0.00 C ATOM 501 O ASN A 33 1.714 5.644 6.269 1.00 0.00 O ATOM 502 CB ASN A 33 -0.171 3.657 8.288 1.00 0.00 C ATOM 503 CG ASN A 33 -1.393 4.270 7.631 1.00 0.00 C ATOM 504 OD1 ASN A 33 -2.286 3.559 7.170 1.00 0.00 O ATOM 505 ND2 ASN A 33 -1.436 5.597 7.585 1.00 0.00 N ATOM 0 H ASN A 33 1.862 2.290 8.752 1.00 0.00 H new ATOM 0 HA ASN A 33 0.695 3.358 6.344 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.409 2.646 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.087 4.232 9.177 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.232 6.067 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.673 6.146 7.980 1.00 0.00 H new ATOM 512 N GLU A 34 2.283 5.387 8.431 1.00 0.00 N ATOM 513 CA GLU A 34 2.961 6.675 8.519 1.00 0.00 C ATOM 514 C GLU A 34 3.841 6.911 7.294 1.00 0.00 C ATOM 515 O GLU A 34 3.897 8.019 6.762 1.00 0.00 O ATOM 516 CB GLU A 34 3.809 6.744 9.791 1.00 0.00 C ATOM 517 CG GLU A 34 4.690 5.524 10.002 1.00 0.00 C ATOM 518 CD GLU A 34 5.636 5.684 11.176 1.00 0.00 C ATOM 519 OE1 GLU A 34 5.151 5.743 12.325 1.00 0.00 O ATOM 520 OE2 GLU A 34 6.862 5.750 10.945 1.00 0.00 O ATOM 0 H GLU A 34 2.290 4.846 9.296 1.00 0.00 H new ATOM 0 HA GLU A 34 2.201 7.456 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.438 7.633 9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.150 6.859 10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.060 4.649 10.164 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.268 5.337 9.097 1.00 0.00 H new ATOM 527 N ALA A 35 4.526 5.861 6.854 1.00 0.00 N ATOM 528 CA ALA A 35 5.402 5.952 5.693 1.00 0.00 C ATOM 529 C ALA A 35 4.699 5.453 4.435 1.00 0.00 C ATOM 530 O ALA A 35 4.621 6.162 3.432 1.00 0.00 O ATOM 531 CB ALA A 35 6.681 5.165 5.933 1.00 0.00 C ATOM 0 H ALA A 35 4.491 4.937 7.284 1.00 0.00 H new ATOM 0 HA ALA A 35 5.658 7.001 5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.325 5.242 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.200 5.570 6.802 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.436 4.118 6.112 1.00 0.00 H new ATOM 537 N GLY A 36 4.190 4.226 4.494 1.00 0.00 N ATOM 538 CA GLY A 36 3.501 3.653 3.353 1.00 0.00 C ATOM 539 C GLY A 36 4.330 2.600 2.644 1.00 0.00 C ATOM 540 O GLY A 36 4.144 2.350 1.453 1.00 0.00 O ATOM 0 H GLY A 36 4.243 3.619 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.562 3.209 3.685 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.248 4.446 2.649 1.00 0.00 H new ATOM 544 N LEU A 37 5.250 1.982 3.377 1.00 0.00 N ATOM 545 CA LEU A 37 6.113 0.951 2.811 1.00 0.00 C ATOM 546 C LEU A 37 5.814 -0.410 3.430 1.00 0.00 C ATOM 547 O LEU A 37 5.457 -0.505 4.605 1.00 0.00 O ATOM 548 CB LEU A 37 7.583 1.312 3.031 1.00 0.00 C ATOM 549 CG LEU A 37 8.190 2.297 2.031 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.292 3.114 2.689 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.724 1.560 0.812 1.00 0.00 C ATOM 0 H LEU A 37 5.417 2.177 4.364 1.00 0.00 H new ATOM 0 HA LEU A 37 5.915 0.894 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.687 1.731 4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.169 0.393 3.007 1.00 0.00 H new ATOM 0 HG LEU A 37 7.407 2.980 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.712 3.809 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.879 3.672 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.075 2.446 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.152 2.277 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.493 0.853 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.910 1.021 0.327 1.00 0.00 H new ATOM 563 N LEU A 38 5.962 -1.463 2.633 1.00 0.00 N ATOM 564 CA LEU A 38 5.710 -2.820 3.103 1.00 0.00 C ATOM 565 C LEU A 38 7.017 -3.580 3.301 1.00 0.00 C ATOM 566 O LEU A 38 7.735 -3.859 2.341 1.00 0.00 O ATOM 567 CB LEU A 38 4.818 -3.567 2.110 1.00 0.00 C ATOM 568 CG LEU A 38 4.624 -5.061 2.373 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.499 -5.286 3.370 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.343 -5.800 1.072 1.00 0.00 C ATOM 0 H LEU A 38 6.255 -1.402 1.658 1.00 0.00 H new ATOM 0 HA LEU A 38 5.200 -2.756 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.838 -3.090 2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.239 -3.446 1.112 1.00 0.00 H new ATOM 0 HG LEU A 38 5.545 -5.457 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.376 -6.355 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.741 -4.790 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.572 -4.874 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.208 -6.862 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.437 -5.401 0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 38 5.182 -5.667 0.390 1.00 0.00 H new ATOM 582 N GLU A 39 7.319 -3.913 4.552 1.00 0.00 N ATOM 583 CA GLU A 39 8.540 -4.642 4.874 1.00 0.00 C ATOM 584 C GLU A 39 8.216 -6.018 5.451 1.00 0.00 C ATOM 585 O GLU A 39 7.054 -6.341 5.697 1.00 0.00 O ATOM 586 CB GLU A 39 9.388 -3.847 5.869 1.00 0.00 C ATOM 587 CG GLU A 39 9.441 -2.358 5.569 1.00 0.00 C ATOM 588 CD GLU A 39 10.342 -1.602 6.527 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.657 -2.150 7.603 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.732 -0.462 6.198 1.00 0.00 O ATOM 0 H GLU A 39 6.735 -3.690 5.358 1.00 0.00 H new ATOM 0 HA GLU A 39 9.106 -4.777 3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.988 -3.993 6.872 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.403 -4.246 5.869 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.795 -2.209 4.549 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.434 -1.945 5.620 1.00 0.00 H new ATOM 597 N TYR A 40 9.251 -6.822 5.662 1.00 0.00 N ATOM 598 CA TYR A 40 9.078 -8.164 6.207 1.00 0.00 C ATOM 599 C TYR A 40 10.379 -8.676 6.818 1.00 0.00 C ATOM 600 O TYR A 40 11.388 -8.822 6.128 1.00 0.00 O ATOM 601 CB TYR A 40 8.603 -9.123 5.114 1.00 0.00 C ATOM 602 CG TYR A 40 9.680 -9.486 4.117 1.00 0.00 C ATOM 603 CD1 TYR A 40 9.891 -8.714 2.980 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.487 -10.601 4.310 1.00 0.00 C ATOM 605 CE1 TYR A 40 10.874 -9.042 2.066 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.472 -10.936 3.402 1.00 0.00 C ATOM 607 CZ TYR A 40 11.662 -10.153 2.282 1.00 0.00 C ATOM 608 OH TYR A 40 12.642 -10.484 1.374 1.00 0.00 O ATOM 0 H TYR A 40 10.219 -6.569 5.464 1.00 0.00 H new ATOM 0 HA TYR A 40 8.324 -8.115 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.229 -10.035 5.580 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.766 -8.669 4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.276 -7.843 2.808 1.00 0.00 H new ATOM 0 HD2 TYR A 40 10.341 -11.216 5.186 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.024 -8.432 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 40 12.090 -11.806 3.568 1.00 0.00 H new ATOM 0 HH TYR A 40 13.107 -11.292 1.675 1.00 0.00 H new ATOM 618 N PHE A 41 10.347 -8.947 8.119 1.00 0.00 N ATOM 619 CA PHE A 41 11.522 -9.443 8.826 1.00 0.00 C ATOM 620 C PHE A 41 11.416 -10.945 9.071 1.00 0.00 C ATOM 621 O PHE A 41 10.318 -11.494 9.166 1.00 0.00 O ATOM 622 CB PHE A 41 11.690 -8.708 10.157 1.00 0.00 C ATOM 623 CG PHE A 41 11.639 -7.212 10.027 1.00 0.00 C ATOM 624 CD1 PHE A 41 12.769 -6.496 9.663 1.00 0.00 C ATOM 625 CD2 PHE A 41 10.462 -6.522 10.268 1.00 0.00 C ATOM 626 CE1 PHE A 41 12.725 -5.120 9.542 1.00 0.00 C ATOM 627 CE2 PHE A 41 10.413 -5.146 10.148 1.00 0.00 C ATOM 628 CZ PHE A 41 11.546 -4.444 9.786 1.00 0.00 C ATOM 0 H PHE A 41 9.520 -8.831 8.705 1.00 0.00 H new ATOM 0 HA PHE A 41 12.396 -9.256 8.203 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.907 -9.032 10.843 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.643 -8.994 10.603 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.694 -7.019 9.472 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.573 -7.065 10.553 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.612 -4.574 9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.489 -4.620 10.337 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.510 -3.369 9.694 1.00 0.00 H new ATOM 638 N VAL A 42 12.565 -11.605 9.171 1.00 0.00 N ATOM 639 CA VAL A 42 12.603 -13.043 9.406 1.00 0.00 C ATOM 640 C VAL A 42 11.604 -13.451 10.483 1.00 0.00 C ATOM 641 O VAL A 42 10.902 -14.452 10.346 1.00 0.00 O ATOM 642 CB VAL A 42 14.011 -13.507 9.825 1.00 0.00 C ATOM 643 CG1 VAL A 42 14.004 -14.988 10.171 1.00 0.00 C ATOM 644 CG2 VAL A 42 15.018 -13.213 8.724 1.00 0.00 C ATOM 0 H VAL A 42 13.483 -11.166 9.093 1.00 0.00 H new ATOM 0 HA VAL A 42 12.335 -13.524 8.465 1.00 0.00 H new ATOM 0 HB VAL A 42 14.308 -12.952 10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.007 -15.298 10.465 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.313 -15.166 10.995 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.687 -15.563 9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 42 16.007 -13.547 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.728 -13.740 7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.042 -12.141 8.530 1.00 0.00 H new ATOM 654 N ASN A 43 11.545 -12.667 11.555 1.00 0.00 N ATOM 655 CA ASN A 43 10.632 -12.946 12.657 1.00 0.00 C ATOM 656 C ASN A 43 10.304 -11.671 13.428 1.00 0.00 C ATOM 657 O ASN A 43 10.738 -10.582 13.057 1.00 0.00 O ATOM 658 CB ASN A 43 11.241 -13.985 13.601 1.00 0.00 C ATOM 659 CG ASN A 43 11.379 -15.348 12.951 1.00 0.00 C ATOM 660 OD1 ASN A 43 12.445 -15.962 12.991 1.00 0.00 O ATOM 661 ND2 ASN A 43 10.297 -15.827 12.347 1.00 0.00 N ATOM 0 H ASN A 43 12.119 -11.834 11.684 1.00 0.00 H new ATOM 0 HA ASN A 43 9.708 -13.344 12.238 1.00 0.00 H new ATOM 0 HB2 ASN A 43 12.222 -13.642 13.930 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.618 -14.072 14.491 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.329 -16.739 11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.434 -15.283 12.339 1.00 0.00 H new ATOM 668 N GLU A 44 9.535 -11.817 14.503 1.00 0.00 N ATOM 669 CA GLU A 44 9.149 -10.677 15.325 1.00 0.00 C ATOM 670 C GLU A 44 10.360 -10.090 16.044 1.00 0.00 C ATOM 671 O GLU A 44 10.503 -8.872 16.147 1.00 0.00 O ATOM 672 CB GLU A 44 8.088 -11.093 16.347 1.00 0.00 C ATOM 673 CG GLU A 44 7.195 -9.949 16.797 1.00 0.00 C ATOM 674 CD GLU A 44 6.429 -10.271 18.066 1.00 0.00 C ATOM 675 OE1 GLU A 44 7.077 -10.531 19.101 1.00 0.00 O ATOM 676 OE2 GLU A 44 5.181 -10.263 18.022 1.00 0.00 O ATOM 0 H GLU A 44 9.168 -12.713 14.824 1.00 0.00 H new ATOM 0 HA GLU A 44 8.732 -9.913 14.669 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.468 -11.879 15.915 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.583 -11.521 17.219 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.804 -9.060 16.961 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.489 -9.710 16.002 1.00 0.00 H new ATOM 683 N GLN A 45 11.228 -10.966 16.540 1.00 0.00 N ATOM 684 CA GLN A 45 12.426 -10.534 17.250 1.00 0.00 C ATOM 685 C GLN A 45 13.252 -9.579 16.395 1.00 0.00 C ATOM 686 O GLN A 45 14.091 -8.838 16.908 1.00 0.00 O ATOM 687 CB GLN A 45 13.274 -11.745 17.646 1.00 0.00 C ATOM 688 CG GLN A 45 12.662 -12.578 18.760 1.00 0.00 C ATOM 689 CD GLN A 45 12.778 -11.913 20.118 1.00 0.00 C ATOM 690 OE1 GLN A 45 13.840 -11.412 20.488 1.00 0.00 O ATOM 691 NE2 GLN A 45 11.682 -11.905 20.868 1.00 0.00 N ATOM 0 H GLN A 45 11.124 -11.978 16.463 1.00 0.00 H new ATOM 0 HA GLN A 45 12.113 -10.007 18.151 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.421 -12.377 16.770 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.259 -11.401 17.960 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.611 -12.759 18.537 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.153 -13.551 18.793 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.823 -12.332 20.521 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.699 -11.472 21.791 1.00 0.00 H new ATOM 700 N SER A 46 13.008 -9.600 15.089 1.00 0.00 N ATOM 701 CA SER A 46 13.732 -8.739 14.161 1.00 0.00 C ATOM 702 C SER A 46 12.941 -7.466 13.873 1.00 0.00 C ATOM 703 O SER A 46 12.700 -7.122 12.716 1.00 0.00 O ATOM 704 CB SER A 46 14.016 -9.484 12.856 1.00 0.00 C ATOM 705 OG SER A 46 14.946 -10.533 13.059 1.00 0.00 O ATOM 0 H SER A 46 12.314 -10.204 14.649 1.00 0.00 H new ATOM 0 HA SER A 46 14.679 -8.461 14.624 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.087 -9.890 12.456 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.405 -8.787 12.113 1.00 0.00 H new ATOM 0 HG SER A 46 15.854 -10.165 13.083 1.00 0.00 H new ATOM 711 N ARG A 47 12.541 -6.772 14.933 1.00 0.00 N ATOM 712 CA ARG A 47 11.777 -5.538 14.795 1.00 0.00 C ATOM 713 C ARG A 47 12.683 -4.380 14.390 1.00 0.00 C ATOM 714 O ARG A 47 12.515 -3.791 13.323 1.00 0.00 O ATOM 715 CB ARG A 47 11.063 -5.207 16.106 1.00 0.00 C ATOM 716 CG ARG A 47 9.678 -5.823 16.219 1.00 0.00 C ATOM 717 CD ARG A 47 8.654 -5.046 15.406 1.00 0.00 C ATOM 718 NE ARG A 47 8.195 -3.849 16.105 1.00 0.00 N ATOM 719 CZ ARG A 47 7.318 -3.872 17.103 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.808 -5.024 17.516 1.00 0.00 N ATOM 721 NH2 ARG A 47 6.949 -2.740 17.689 1.00 0.00 N ATOM 0 H ARG A 47 12.733 -7.043 15.897 1.00 0.00 H new ATOM 0 HA ARG A 47 11.034 -5.686 14.011 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.674 -5.553 16.940 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.978 -4.124 16.200 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.709 -6.857 15.874 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.373 -5.845 17.265 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.091 -4.762 14.449 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.801 -5.688 15.188 1.00 0.00 H new ATOM 0 HE ARG A 47 8.568 -2.946 15.811 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.089 -5.896 17.067 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.135 -5.038 18.282 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.339 -1.852 17.373 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.276 -2.758 18.455 1.00 0.00 H new ATOM 735 N ASN A 48 13.644 -4.058 15.250 1.00 0.00 N ATOM 736 CA ASN A 48 14.576 -2.969 14.982 1.00 0.00 C ATOM 737 C ASN A 48 15.533 -3.337 13.852 1.00 0.00 C ATOM 738 O ASN A 48 15.897 -2.492 13.035 1.00 0.00 O ATOM 739 CB ASN A 48 15.369 -2.626 16.245 1.00 0.00 C ATOM 740 CG ASN A 48 14.513 -2.673 17.496 1.00 0.00 C ATOM 741 OD1 ASN A 48 13.929 -1.667 17.899 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.435 -3.844 18.117 1.00 0.00 N ATOM 0 H ASN A 48 13.798 -4.536 16.138 1.00 0.00 H new ATOM 0 HA ASN A 48 13.998 -2.097 14.675 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.200 -3.324 16.350 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.801 -1.631 16.141 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.874 -3.936 18.964 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.936 -4.652 17.747 1.00 0.00 H new ATOM 749 N GLN A 49 15.935 -4.604 13.813 1.00 0.00 N ATOM 750 CA GLN A 49 16.848 -5.083 12.784 1.00 0.00 C ATOM 751 C GLN A 49 16.419 -4.595 11.404 1.00 0.00 C ATOM 752 O GLN A 49 15.253 -4.267 11.185 1.00 0.00 O ATOM 753 CB GLN A 49 16.912 -6.612 12.800 1.00 0.00 C ATOM 754 CG GLN A 49 17.978 -7.167 13.730 1.00 0.00 C ATOM 755 CD GLN A 49 17.634 -8.547 14.255 1.00 0.00 C ATOM 756 OE1 GLN A 49 17.969 -9.559 13.639 1.00 0.00 O ATOM 757 NE2 GLN A 49 16.962 -8.595 15.399 1.00 0.00 N ATOM 0 H GLN A 49 15.642 -5.316 14.482 1.00 0.00 H new ATOM 0 HA GLN A 49 17.839 -4.682 12.999 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.940 -7.005 13.099 1.00 0.00 H new ATOM 0 HB3 GLN A 49 17.102 -6.970 11.788 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.930 -7.211 13.200 1.00 0.00 H new ATOM 0 HG3 GLN A 49 18.112 -6.486 14.570 1.00 0.00 H new ATOM 0 HE21 GLN A 49 16.705 -7.731 15.876 1.00 0.00 H new ATOM 0 HE22 GLN A 49 16.703 -9.496 15.801 1.00 0.00 H new ATOM 766 N LYS A 50 17.369 -4.548 10.476 1.00 0.00 N ATOM 767 CA LYS A 50 17.090 -4.100 9.117 1.00 0.00 C ATOM 768 C LYS A 50 16.166 -5.079 8.400 1.00 0.00 C ATOM 769 O LYS A 50 16.311 -6.297 8.506 1.00 0.00 O ATOM 770 CB LYS A 50 18.394 -3.945 8.332 1.00 0.00 C ATOM 771 CG LYS A 50 18.192 -3.467 6.904 1.00 0.00 C ATOM 772 CD LYS A 50 18.153 -1.950 6.824 1.00 0.00 C ATOM 773 CE LYS A 50 19.554 -1.356 6.823 1.00 0.00 C ATOM 774 NZ LYS A 50 19.550 0.076 7.230 1.00 0.00 N ATOM 0 H LYS A 50 18.340 -4.815 10.641 1.00 0.00 H new ATOM 0 HA LYS A 50 16.591 -3.133 9.175 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.041 -3.240 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.914 -4.903 8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 50 18.998 -3.845 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.262 -3.877 6.510 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.627 -1.646 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.589 -1.554 7.669 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.190 -1.925 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.987 -1.449 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.523 0.443 7.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.964 0.623 6.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.160 0.163 8.190 1.00 0.00 H new ATOM 788 N PRO A 51 15.194 -4.538 7.652 1.00 0.00 N ATOM 789 CA PRO A 51 14.228 -5.346 6.902 1.00 0.00 C ATOM 790 C PRO A 51 14.870 -6.067 5.721 1.00 0.00 C ATOM 791 O PRO A 51 15.639 -5.475 4.964 1.00 0.00 O ATOM 792 CB PRO A 51 13.209 -4.316 6.410 1.00 0.00 C ATOM 793 CG PRO A 51 13.963 -3.032 6.359 1.00 0.00 C ATOM 794 CD PRO A 51 14.962 -3.093 7.481 1.00 0.00 C ATOM 0 HA PRO A 51 13.793 -6.135 7.515 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.817 -4.584 5.429 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.357 -4.248 7.086 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.463 -2.911 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.293 -2.181 6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.882 -2.565 7.229 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.572 -2.638 8.392 1.00 0.00 H new ATOM 802 N ARG A 52 14.548 -7.348 5.570 1.00 0.00 N ATOM 803 CA ARG A 52 15.094 -8.149 4.481 1.00 0.00 C ATOM 804 C ARG A 52 14.767 -7.523 3.128 1.00 0.00 C ATOM 805 O ARG A 52 15.589 -7.534 2.213 1.00 0.00 O ATOM 806 CB ARG A 52 14.542 -9.574 4.542 1.00 0.00 C ATOM 807 CG ARG A 52 15.137 -10.411 5.663 1.00 0.00 C ATOM 808 CD ARG A 52 16.534 -10.900 5.311 1.00 0.00 C ATOM 809 NE ARG A 52 16.510 -11.916 4.263 1.00 0.00 N ATOM 810 CZ ARG A 52 16.166 -13.182 4.474 1.00 0.00 C ATOM 811 NH1 ARG A 52 15.817 -13.584 5.688 1.00 0.00 N ATOM 812 NH2 ARG A 52 16.169 -14.048 3.469 1.00 0.00 N ATOM 0 H ARG A 52 13.912 -7.853 6.188 1.00 0.00 H new ATOM 0 HA ARG A 52 16.178 -8.181 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.460 -9.530 4.668 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.732 -10.069 3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.177 -9.820 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.491 -11.266 5.863 1.00 0.00 H new ATOM 0 HD2 ARG A 52 17.142 -10.056 4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.010 -11.309 6.202 1.00 0.00 H new ATOM 0 HE ARG A 52 16.772 -11.639 3.317 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.812 -12.921 6.463 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.553 -14.556 5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.436 -13.742 2.533 1.00 0.00 H new ATOM 0 HH22 ARG A 52 15.905 -15.020 3.632 1.00 0.00 H new ATOM 826 N GLY A 53 13.560 -6.977 3.010 1.00 0.00 N ATOM 827 CA GLY A 53 13.146 -6.355 1.766 1.00 0.00 C ATOM 828 C GLY A 53 11.901 -5.507 1.929 1.00 0.00 C ATOM 829 O GLY A 53 11.049 -5.795 2.771 1.00 0.00 O ATOM 0 H GLY A 53 12.862 -6.955 3.754 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.957 -5.734 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.960 -7.128 1.021 1.00 0.00 H new ATOM 833 N THR A 54 11.793 -4.455 1.123 1.00 0.00 N ATOM 834 CA THR A 54 10.644 -3.560 1.184 1.00 0.00 C ATOM 835 C THR A 54 10.012 -3.384 -0.192 1.00 0.00 C ATOM 836 O THR A 54 10.680 -3.526 -1.217 1.00 0.00 O ATOM 837 CB THR A 54 11.038 -2.177 1.736 1.00 0.00 C ATOM 838 OG1 THR A 54 11.896 -1.505 0.808 1.00 0.00 O ATOM 839 CG2 THR A 54 11.740 -2.310 3.079 1.00 0.00 C ATOM 0 H THR A 54 12.488 -4.202 0.420 1.00 0.00 H new ATOM 0 HA THR A 54 9.921 -4.019 1.858 1.00 0.00 H new ATOM 0 HB THR A 54 10.128 -1.594 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.140 -0.626 1.166 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.009 -1.320 3.449 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.073 -2.795 3.792 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.642 -2.910 2.960 1.00 0.00 H new ATOM 847 N LEU A 55 8.720 -3.073 -0.208 1.00 0.00 N ATOM 848 CA LEU A 55 7.997 -2.876 -1.460 1.00 0.00 C ATOM 849 C LEU A 55 7.068 -1.670 -1.368 1.00 0.00 C ATOM 850 O LEU A 55 6.201 -1.608 -0.496 1.00 0.00 O ATOM 851 CB LEU A 55 7.191 -4.129 -1.808 1.00 0.00 C ATOM 852 CG LEU A 55 6.406 -4.079 -3.119 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.266 -4.563 -4.276 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.136 -4.911 -3.012 1.00 0.00 C ATOM 0 H LEU A 55 8.152 -2.952 0.631 1.00 0.00 H new ATOM 0 HA LEU A 55 8.727 -2.690 -2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.875 -4.977 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.491 -4.324 -0.996 1.00 0.00 H new ATOM 0 HG LEU A 55 6.124 -3.044 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.690 -4.520 -5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.146 -3.926 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.580 -5.590 -4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.590 -4.864 -3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.397 -5.947 -2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.511 -4.519 -2.210 1.00 0.00 H new ATOM 866 N GLN A 56 7.254 -0.716 -2.274 1.00 0.00 N ATOM 867 CA GLN A 56 6.431 0.488 -2.296 1.00 0.00 C ATOM 868 C GLN A 56 4.987 0.153 -2.655 1.00 0.00 C ATOM 869 O GLN A 56 4.729 -0.653 -3.549 1.00 0.00 O ATOM 870 CB GLN A 56 6.996 1.499 -3.294 1.00 0.00 C ATOM 871 CG GLN A 56 8.007 2.456 -2.684 1.00 0.00 C ATOM 872 CD GLN A 56 8.958 3.035 -3.713 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.719 4.113 -4.259 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.044 2.321 -3.984 1.00 0.00 N ATOM 0 H GLN A 56 7.967 -0.753 -3.002 1.00 0.00 H new ATOM 0 HA GLN A 56 6.446 0.927 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.468 0.961 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.174 2.075 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.478 3.269 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.580 1.933 -1.919 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.202 1.433 -3.508 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.720 2.661 -4.668 1.00 0.00 H new ATOM 883 N LEU A 57 4.048 0.778 -1.952 1.00 0.00 N ATOM 884 CA LEU A 57 2.629 0.546 -2.196 1.00 0.00 C ATOM 885 C LEU A 57 2.029 1.674 -3.031 1.00 0.00 C ATOM 886 O LEU A 57 1.161 1.442 -3.871 1.00 0.00 O ATOM 887 CB LEU A 57 1.877 0.423 -0.870 1.00 0.00 C ATOM 888 CG LEU A 57 2.080 -0.884 -0.102 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.483 -0.782 1.293 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.466 -2.050 -0.863 1.00 0.00 C ATOM 0 H LEU A 57 4.244 1.449 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 57 2.528 -0.386 -2.752 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.178 1.250 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.812 0.544 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 57 3.151 -1.063 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.637 -1.721 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.969 0.027 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.415 -0.579 1.218 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.620 -2.972 -0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.397 -1.878 -0.992 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.940 -2.137 -1.841 1.00 0.00 H new ATOM 902 N ALA A 58 2.501 2.893 -2.794 1.00 0.00 N ATOM 903 CA ALA A 58 2.014 4.056 -3.527 1.00 0.00 C ATOM 904 C ALA A 58 2.023 3.800 -5.030 1.00 0.00 C ATOM 905 O ALA A 58 3.070 3.854 -5.673 1.00 0.00 O ATOM 906 CB ALA A 58 2.855 5.280 -3.193 1.00 0.00 C ATOM 0 H ALA A 58 3.220 3.101 -2.101 1.00 0.00 H new ATOM 0 HA ALA A 58 0.984 4.242 -3.223 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.481 6.141 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.794 5.482 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.893 5.095 -3.469 1.00 0.00 H new ATOM 912 N GLY A 59 0.847 3.520 -5.585 1.00 0.00 N ATOM 913 CA GLY A 59 0.742 3.259 -7.009 1.00 0.00 C ATOM 914 C GLY A 59 0.904 1.790 -7.342 1.00 0.00 C ATOM 915 O GLY A 59 1.494 1.439 -8.363 1.00 0.00 O ATOM 0 H GLY A 59 -0.034 3.469 -5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.227 3.605 -7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.502 3.834 -7.538 1.00 0.00 H new ATOM 919 N ALA A 60 0.379 0.927 -6.478 1.00 0.00 N ATOM 920 CA ALA A 60 0.468 -0.513 -6.686 1.00 0.00 C ATOM 921 C ALA A 60 -0.909 -1.117 -6.939 1.00 0.00 C ATOM 922 O ALA A 60 -1.931 -0.452 -6.768 1.00 0.00 O ATOM 923 CB ALA A 60 1.126 -1.180 -5.488 1.00 0.00 C ATOM 0 H ALA A 60 -0.113 1.200 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 60 1.082 -0.690 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.186 -2.255 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.130 -0.778 -5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.535 -0.986 -4.593 1.00 0.00 H new ATOM 929 N VAL A 61 -0.930 -2.381 -7.349 1.00 0.00 N ATOM 930 CA VAL A 61 -2.182 -3.075 -7.626 1.00 0.00 C ATOM 931 C VAL A 61 -2.270 -4.381 -6.845 1.00 0.00 C ATOM 932 O VAL A 61 -1.298 -5.132 -6.760 1.00 0.00 O ATOM 933 CB VAL A 61 -2.336 -3.376 -9.129 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.424 -4.415 -9.356 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.636 -2.100 -9.899 1.00 0.00 C ATOM 0 H VAL A 61 -0.094 -2.946 -7.497 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.988 -2.412 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.395 -3.783 -9.499 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.519 -4.615 -10.423 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.162 -5.336 -8.836 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.372 -4.039 -8.972 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.742 -2.331 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.563 -1.661 -9.529 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.819 -1.392 -9.762 1.00 0.00 H new ATOM 945 N ILE A 62 -3.442 -4.647 -6.277 1.00 0.00 N ATOM 946 CA ILE A 62 -3.657 -5.864 -5.505 1.00 0.00 C ATOM 947 C ILE A 62 -4.672 -6.775 -6.186 1.00 0.00 C ATOM 948 O ILE A 62 -5.819 -6.387 -6.409 1.00 0.00 O ATOM 949 CB ILE A 62 -4.146 -5.546 -4.079 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.100 -4.716 -3.331 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.449 -6.832 -3.324 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.164 -3.238 -3.646 1.00 0.00 C ATOM 0 H ILE A 62 -4.257 -4.036 -6.337 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.696 -6.375 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.064 -4.963 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.235 -4.857 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.106 -5.089 -3.579 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.793 -6.591 -2.318 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.225 -7.388 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.546 -7.439 -3.262 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.395 -2.712 -3.081 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.999 -3.086 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.145 -2.850 -3.372 1.00 0.00 H new ATOM 964 N SER A 63 -4.242 -7.989 -6.514 1.00 0.00 N ATOM 965 CA SER A 63 -5.113 -8.957 -7.172 1.00 0.00 C ATOM 966 C SER A 63 -5.131 -10.278 -6.410 1.00 0.00 C ATOM 967 O SER A 63 -4.206 -11.086 -6.494 1.00 0.00 O ATOM 968 CB SER A 63 -4.652 -9.192 -8.612 1.00 0.00 C ATOM 969 OG SER A 63 -5.652 -9.855 -9.366 1.00 0.00 O ATOM 0 H SER A 63 -3.296 -8.326 -6.335 1.00 0.00 H new ATOM 0 HA SER A 63 -6.124 -8.551 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 63 -4.412 -8.238 -9.081 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.738 -9.786 -8.612 1.00 0.00 H new ATOM 0 HG SER A 63 -5.334 -9.992 -10.283 1.00 0.00 H new ATOM 975 N PRO A 64 -6.211 -10.505 -5.647 1.00 0.00 N ATOM 976 CA PRO A 64 -6.378 -11.727 -4.855 1.00 0.00 C ATOM 977 C PRO A 64 -6.615 -12.955 -5.727 1.00 0.00 C ATOM 978 O PRO A 64 -7.584 -13.014 -6.483 1.00 0.00 O ATOM 979 CB PRO A 64 -7.614 -11.430 -4.002 1.00 0.00 C ATOM 980 CG PRO A 64 -8.379 -10.418 -4.782 1.00 0.00 C ATOM 981 CD PRO A 64 -7.352 -9.586 -5.500 1.00 0.00 C ATOM 0 HA PRO A 64 -5.487 -11.960 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.205 -12.330 -3.835 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.335 -11.045 -3.021 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.055 -10.899 -5.489 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.992 -9.801 -4.125 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.718 -9.242 -6.467 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.082 -8.699 -4.928 1.00 0.00 H new ATOM 989 N SER A 65 -5.723 -13.935 -5.616 1.00 0.00 N ATOM 990 CA SER A 65 -5.833 -15.161 -6.397 1.00 0.00 C ATOM 991 C SER A 65 -7.038 -15.983 -5.950 1.00 0.00 C ATOM 992 O SER A 65 -7.543 -15.812 -4.840 1.00 0.00 O ATOM 993 CB SER A 65 -4.556 -15.992 -6.264 1.00 0.00 C ATOM 994 OG SER A 65 -4.322 -16.759 -7.433 1.00 0.00 O ATOM 0 H SER A 65 -4.916 -13.903 -4.993 1.00 0.00 H new ATOM 0 HA SER A 65 -5.971 -14.886 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.707 -15.333 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.637 -16.654 -5.401 1.00 0.00 H new ATOM 0 HG SER A 65 -3.647 -17.444 -7.245 1.00 0.00 H new ATOM 1000 N ASP A 66 -7.493 -16.876 -6.822 1.00 0.00 N ATOM 1001 CA ASP A 66 -8.638 -17.727 -6.518 1.00 0.00 C ATOM 1002 C ASP A 66 -8.232 -19.197 -6.495 1.00 0.00 C ATOM 1003 O ASP A 66 -9.014 -20.072 -6.865 1.00 0.00 O ATOM 1004 CB ASP A 66 -9.750 -17.508 -7.545 1.00 0.00 C ATOM 1005 CG ASP A 66 -9.258 -17.657 -8.971 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -8.375 -16.874 -9.379 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -9.756 -18.557 -9.679 1.00 0.00 O ATOM 0 H ASP A 66 -7.087 -17.030 -7.745 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.009 -17.456 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.553 -18.222 -7.364 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.173 -16.512 -7.412 1.00 0.00 H new ATOM 1012 N GLU A 67 -7.003 -19.460 -6.059 1.00 0.00 N ATOM 1013 CA GLU A 67 -6.493 -20.824 -5.991 1.00 0.00 C ATOM 1014 C GLU A 67 -6.808 -21.455 -4.637 1.00 0.00 C ATOM 1015 O GLU A 67 -7.544 -22.439 -4.555 1.00 0.00 O ATOM 1016 CB GLU A 67 -4.983 -20.841 -6.236 1.00 0.00 C ATOM 1017 CG GLU A 67 -4.590 -20.424 -7.643 1.00 0.00 C ATOM 1018 CD GLU A 67 -3.129 -20.033 -7.749 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -2.280 -20.745 -7.173 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.835 -19.013 -8.408 1.00 0.00 O ATOM 0 H GLU A 67 -6.343 -18.747 -5.748 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.985 -21.408 -6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.500 -20.176 -5.521 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.604 -21.845 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.793 -21.244 -8.331 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.211 -19.584 -7.956 1.00 0.00 H new ATOM 1027 N ASP A 68 -6.244 -20.883 -3.580 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.463 -21.388 -2.229 1.00 0.00 C ATOM 1029 C ASP A 68 -7.280 -20.398 -1.405 1.00 0.00 C ATOM 1030 O ASP A 68 -7.287 -19.199 -1.685 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.125 -21.663 -1.541 1.00 0.00 C ATOM 1032 CG ASP A 68 -4.189 -22.486 -2.403 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -3.743 -21.974 -3.451 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.903 -23.644 -2.030 1.00 0.00 O ATOM 0 H ASP A 68 -5.631 -20.069 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.023 -22.321 -2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.646 -20.716 -1.292 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.304 -22.186 -0.602 1.00 0.00 H new ATOM 1039 N SER A 69 -7.967 -20.907 -0.388 1.00 0.00 N ATOM 1040 CA SER A 69 -8.791 -20.069 0.475 1.00 0.00 C ATOM 1041 C SER A 69 -8.074 -18.764 0.809 1.00 0.00 C ATOM 1042 O SER A 69 -8.635 -17.678 0.658 1.00 0.00 O ATOM 1043 CB SER A 69 -9.142 -20.815 1.763 1.00 0.00 C ATOM 1044 OG SER A 69 -10.022 -21.895 1.503 1.00 0.00 O ATOM 0 H SER A 69 -7.969 -21.897 -0.141 1.00 0.00 H new ATOM 0 HA SER A 69 -9.710 -19.832 -0.061 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.231 -21.189 2.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.605 -20.127 2.471 1.00 0.00 H new ATOM 0 HG SER A 69 -10.230 -22.357 2.342 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.831 -18.879 1.265 1.00 0.00 N ATOM 1051 CA HIS A 70 -6.036 -17.709 1.620 1.00 0.00 C ATOM 1052 C HIS A 70 -4.903 -17.497 0.620 1.00 0.00 C ATOM 1053 O HIS A 70 -3.919 -18.237 0.614 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.464 -17.864 3.030 1.00 0.00 C ATOM 1055 CG HIS A 70 -6.327 -18.683 3.939 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -5.821 -19.451 4.967 1.00 0.00 N ATOM 1057 CD2 HIS A 70 -7.670 -18.850 3.973 1.00 0.00 C ATOM 1058 CE1 HIS A 70 -6.815 -20.057 5.591 1.00 0.00 C ATOM 1059 NE2 HIS A 70 -7.948 -19.708 5.008 1.00 0.00 N ATOM 0 H HIS A 70 -6.353 -19.770 1.397 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.688 -16.836 1.594 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.479 -18.325 2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -5.325 -16.875 3.468 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.389 -18.393 3.309 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -6.718 -20.724 6.435 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.878 -20.025 5.282 1.00 0.00 H new ATOM 1068 N THR A 71 -5.050 -16.482 -0.226 1.00 0.00 N ATOM 1069 CA THR A 71 -4.041 -16.174 -1.232 1.00 0.00 C ATOM 1070 C THR A 71 -4.247 -14.777 -1.807 1.00 0.00 C ATOM 1071 O THR A 71 -5.380 -14.331 -1.991 1.00 0.00 O ATOM 1072 CB THR A 71 -4.063 -17.199 -2.382 1.00 0.00 C ATOM 1073 OG1 THR A 71 -4.161 -18.526 -1.854 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.811 -17.079 -3.238 1.00 0.00 C ATOM 0 H THR A 71 -5.858 -15.859 -0.234 1.00 0.00 H new ATOM 0 HA THR A 71 -3.073 -16.220 -0.733 1.00 0.00 H new ATOM 0 HB THR A 71 -4.932 -16.992 -3.007 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.568 -18.614 -1.079 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.849 -17.813 -4.043 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.755 -16.077 -3.663 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.930 -17.262 -2.622 1.00 0.00 H new ATOM 1082 N PHE A 72 -3.145 -14.091 -2.090 1.00 0.00 N ATOM 1083 CA PHE A 72 -3.205 -12.743 -2.645 1.00 0.00 C ATOM 1084 C PHE A 72 -1.828 -12.289 -3.121 1.00 0.00 C ATOM 1085 O PHE A 72 -0.801 -12.748 -2.618 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.745 -11.763 -1.602 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.813 -11.546 -0.444 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.842 -12.392 0.653 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.909 -10.497 -0.453 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.986 -12.194 1.720 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -1.050 -10.294 0.611 1.00 0.00 C ATOM 1092 CZ PHE A 72 -1.088 -11.144 1.699 1.00 0.00 C ATOM 0 H PHE A 72 -2.200 -14.446 -1.944 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.879 -12.759 -3.501 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.943 -10.805 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.699 -12.134 -1.226 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.541 -13.215 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.875 -9.830 -1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -2.019 -12.860 2.570 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.350 -9.472 0.591 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.418 -10.988 2.531 1.00 0.00 H new ATOM 1102 N THR A 73 -1.813 -11.385 -4.095 1.00 0.00 N ATOM 1103 CA THR A 73 -0.564 -10.870 -4.641 1.00 0.00 C ATOM 1104 C THR A 73 -0.503 -9.350 -4.536 1.00 0.00 C ATOM 1105 O THR A 73 -1.526 -8.670 -4.627 1.00 0.00 O ATOM 1106 CB THR A 73 -0.384 -11.278 -6.115 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.540 -10.901 -6.873 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.159 -12.778 -6.238 1.00 0.00 C ATOM 0 H THR A 73 -2.653 -10.994 -4.522 1.00 0.00 H new ATOM 0 HA THR A 73 0.242 -11.305 -4.050 1.00 0.00 H new ATOM 0 HB THR A 73 0.492 -10.761 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.340 -11.298 -6.469 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.035 -13.042 -7.288 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.737 -13.058 -5.685 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.018 -13.310 -5.829 1.00 0.00 H new ATOM 1116 N VAL A 74 0.701 -8.822 -4.344 1.00 0.00 N ATOM 1117 CA VAL A 74 0.895 -7.382 -4.228 1.00 0.00 C ATOM 1118 C VAL A 74 1.855 -6.869 -5.296 1.00 0.00 C ATOM 1119 O VAL A 74 3.069 -7.033 -5.183 1.00 0.00 O ATOM 1120 CB VAL A 74 1.438 -6.999 -2.838 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.633 -5.494 -2.738 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.504 -7.498 -1.746 1.00 0.00 C ATOM 0 H VAL A 74 1.557 -9.370 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.081 -6.919 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 74 2.408 -7.477 -2.701 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.017 -5.242 -1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.344 -5.168 -3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.678 -4.992 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.903 -7.219 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.481 -7.050 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.420 -8.583 -1.807 1.00 0.00 H new ATOM 1132 N ASN A 75 1.302 -6.247 -6.332 1.00 0.00 N ATOM 1133 CA ASN A 75 2.109 -5.710 -7.421 1.00 0.00 C ATOM 1134 C ASN A 75 2.771 -4.397 -7.011 1.00 0.00 C ATOM 1135 O ASN A 75 2.602 -3.930 -5.885 1.00 0.00 O ATOM 1136 CB ASN A 75 1.245 -5.492 -8.664 1.00 0.00 C ATOM 1137 CG ASN A 75 1.153 -6.734 -9.529 1.00 0.00 C ATOM 1138 OD1 ASN A 75 1.990 -6.959 -10.404 1.00 0.00 O ATOM 1139 ND2 ASN A 75 0.132 -7.549 -9.287 1.00 0.00 N ATOM 0 H ASN A 75 0.298 -6.102 -6.440 1.00 0.00 H new ATOM 0 HA ASN A 75 2.890 -6.434 -7.652 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.243 -5.190 -8.358 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.659 -4.673 -9.252 1.00 0.00 H new ATOM 0 HD21 ASN A 75 0.018 -8.401 -9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.538 -7.323 -8.552 1.00 0.00 H new ATOM 1146 N ALA A 76 3.523 -3.807 -7.934 1.00 0.00 N ATOM 1147 CA ALA A 76 4.208 -2.547 -7.670 1.00 0.00 C ATOM 1148 C ALA A 76 4.300 -1.698 -8.933 1.00 0.00 C ATOM 1149 O ALA A 76 4.501 -2.219 -10.029 1.00 0.00 O ATOM 1150 CB ALA A 76 5.596 -2.809 -7.105 1.00 0.00 C ATOM 0 H ALA A 76 3.674 -4.181 -8.871 1.00 0.00 H new ATOM 0 HA ALA A 76 3.627 -1.993 -6.933 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.096 -1.860 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.510 -3.369 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.178 -3.386 -7.823 1.00 0.00 H new ATOM 1156 N ALA A 77 4.151 -0.387 -8.771 1.00 0.00 N ATOM 1157 CA ALA A 77 4.219 0.535 -9.898 1.00 0.00 C ATOM 1158 C ALA A 77 5.400 0.207 -10.805 1.00 0.00 C ATOM 1159 O ALA A 77 5.254 0.119 -12.024 1.00 0.00 O ATOM 1160 CB ALA A 77 4.314 1.970 -9.401 1.00 0.00 C ATOM 0 H ALA A 77 3.982 0.060 -7.870 1.00 0.00 H new ATOM 0 HA ALA A 77 3.305 0.425 -10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.364 2.648 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.435 2.206 -8.801 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.211 2.086 -8.792 1.00 0.00 H new ATOM 1166 N SER A 78 6.571 0.029 -10.202 1.00 0.00 N ATOM 1167 CA SER A 78 7.779 -0.284 -10.956 1.00 0.00 C ATOM 1168 C SER A 78 7.588 -1.550 -11.786 1.00 0.00 C ATOM 1169 O SER A 78 7.779 -1.543 -13.002 1.00 0.00 O ATOM 1170 CB SER A 78 8.968 -0.457 -10.008 1.00 0.00 C ATOM 1171 OG SER A 78 9.471 0.798 -9.586 1.00 0.00 O ATOM 0 H SER A 78 6.709 0.096 -9.194 1.00 0.00 H new ATOM 0 HA SER A 78 7.981 0.547 -11.632 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.663 -1.040 -9.139 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.757 -1.019 -10.508 1.00 0.00 H new ATOM 0 HG SER A 78 10.229 0.660 -8.980 1.00 0.00 H new ATOM 1177 N GLY A 79 7.210 -2.636 -11.120 1.00 0.00 N ATOM 1178 CA GLY A 79 7.000 -3.895 -11.811 1.00 0.00 C ATOM 1179 C GLY A 79 7.487 -5.086 -11.009 1.00 0.00 C ATOM 1180 O GLY A 79 8.422 -5.774 -11.415 1.00 0.00 O ATOM 0 H GLY A 79 7.045 -2.667 -10.114 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.938 -4.015 -12.025 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.518 -3.870 -12.770 1.00 0.00 H new ATOM 1184 N GLU A 80 6.852 -5.327 -9.866 1.00 0.00 N ATOM 1185 CA GLU A 80 7.229 -6.441 -9.004 1.00 0.00 C ATOM 1186 C GLU A 80 6.018 -6.975 -8.244 1.00 0.00 C ATOM 1187 O GLU A 80 5.314 -6.222 -7.572 1.00 0.00 O ATOM 1188 CB GLU A 80 8.314 -6.007 -8.016 1.00 0.00 C ATOM 1189 CG GLU A 80 9.037 -7.169 -7.356 1.00 0.00 C ATOM 1190 CD GLU A 80 10.346 -6.753 -6.715 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.312 -6.209 -5.591 1.00 0.00 O ATOM 1192 OE2 GLU A 80 11.407 -6.971 -7.338 1.00 0.00 O ATOM 0 H GLU A 80 6.075 -4.766 -9.516 1.00 0.00 H new ATOM 0 HA GLU A 80 7.621 -7.238 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.042 -5.387 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.862 -5.385 -7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.390 -7.611 -6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.231 -7.941 -8.100 1.00 0.00 H new ATOM 1199 N GLN A 81 5.784 -8.278 -8.357 1.00 0.00 N ATOM 1200 CA GLN A 81 4.658 -8.913 -7.682 1.00 0.00 C ATOM 1201 C GLN A 81 5.128 -9.705 -6.467 1.00 0.00 C ATOM 1202 O GLN A 81 6.203 -10.305 -6.482 1.00 0.00 O ATOM 1203 CB GLN A 81 3.910 -9.834 -8.648 1.00 0.00 C ATOM 1204 CG GLN A 81 2.741 -10.566 -8.009 1.00 0.00 C ATOM 1205 CD GLN A 81 2.238 -11.716 -8.858 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.262 -11.578 -9.596 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.904 -12.861 -8.760 1.00 0.00 N ATOM 0 H GLN A 81 6.359 -8.915 -8.909 1.00 0.00 H new ATOM 0 HA GLN A 81 3.982 -8.129 -7.342 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.543 -9.244 -9.488 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.609 -10.566 -9.053 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.045 -10.945 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.926 -9.862 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.708 -12.932 -8.136 1.00 0.00 H new ATOM 0 HE22 GLN A 81 2.612 -13.670 -9.309 1.00 0.00 H new ATOM 1216 N TYR A 82 4.316 -9.703 -5.416 1.00 0.00 N ATOM 1217 CA TYR A 82 4.650 -10.419 -4.190 1.00 0.00 C ATOM 1218 C TYR A 82 3.648 -11.538 -3.923 1.00 0.00 C ATOM 1219 O TYR A 82 2.442 -11.304 -3.852 1.00 0.00 O ATOM 1220 CB TYR A 82 4.682 -9.455 -3.004 1.00 0.00 C ATOM 1221 CG TYR A 82 6.022 -8.781 -2.807 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.765 -8.339 -3.894 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.545 -8.589 -1.534 1.00 0.00 C ATOM 1224 CE1 TYR A 82 7.990 -7.724 -3.720 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.768 -7.974 -1.350 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.487 -7.543 -2.446 1.00 0.00 C ATOM 1227 OH TYR A 82 9.706 -6.931 -2.266 1.00 0.00 O ATOM 0 H TYR A 82 3.422 -9.214 -5.388 1.00 0.00 H new ATOM 0 HA TYR A 82 5.638 -10.862 -4.316 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.918 -8.691 -3.147 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.422 -10.000 -2.097 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.378 -8.478 -4.893 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.986 -8.926 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.555 -7.387 -4.576 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.159 -7.831 -0.354 1.00 0.00 H new ATOM 0 HH TYR A 82 9.909 -6.881 -1.308 1.00 0.00 H new ATOM 1237 N LYS A 83 4.158 -12.757 -3.775 1.00 0.00 N ATOM 1238 CA LYS A 83 3.311 -13.914 -3.514 1.00 0.00 C ATOM 1239 C LYS A 83 3.236 -14.207 -2.018 1.00 0.00 C ATOM 1240 O LYS A 83 4.112 -14.870 -1.461 1.00 0.00 O ATOM 1241 CB LYS A 83 3.844 -15.140 -4.258 1.00 0.00 C ATOM 1242 CG LYS A 83 2.763 -16.137 -4.640 1.00 0.00 C ATOM 1243 CD LYS A 83 3.143 -16.922 -5.884 1.00 0.00 C ATOM 1244 CE LYS A 83 1.913 -17.335 -6.679 1.00 0.00 C ATOM 1245 NZ LYS A 83 2.194 -18.491 -7.575 1.00 0.00 N ATOM 0 H LYS A 83 5.154 -12.968 -3.832 1.00 0.00 H new ATOM 0 HA LYS A 83 2.307 -13.687 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.359 -14.811 -5.161 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.584 -15.640 -3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.593 -16.825 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.825 -15.609 -4.814 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.797 -16.317 -6.512 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.707 -17.809 -5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.107 -17.595 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.565 -16.491 -7.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.331 -18.742 -8.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 2.945 -18.235 -8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.502 -19.305 -7.005 1.00 0.00 H new ATOM 1259 N LEU A 84 2.186 -13.710 -1.375 1.00 0.00 N ATOM 1260 CA LEU A 84 1.996 -13.920 0.056 1.00 0.00 C ATOM 1261 C LEU A 84 0.748 -14.755 0.323 1.00 0.00 C ATOM 1262 O LEU A 84 -0.094 -14.930 -0.557 1.00 0.00 O ATOM 1263 CB LEU A 84 1.889 -12.576 0.779 1.00 0.00 C ATOM 1264 CG LEU A 84 2.899 -11.507 0.361 1.00 0.00 C ATOM 1265 CD1 LEU A 84 2.594 -10.186 1.051 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.317 -11.961 0.675 1.00 0.00 C ATOM 0 H LEU A 84 1.453 -13.159 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 84 2.862 -14.462 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.886 -12.180 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.998 -12.752 1.849 1.00 0.00 H new ATOM 0 HG LEU A 84 2.817 -11.358 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.323 -9.437 0.742 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.593 -9.854 0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.647 -10.319 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.022 -11.188 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.413 -12.139 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.532 -12.882 0.133 1.00 0.00 H new ATOM 1278 N ARG A 85 0.635 -15.267 1.545 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.511 -16.083 1.928 1.00 0.00 C ATOM 1280 C ARG A 85 -0.935 -15.784 3.363 1.00 0.00 C ATOM 1281 O ARG A 85 -0.192 -16.047 4.308 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.178 -17.568 1.783 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.220 -18.489 2.397 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.639 -19.860 2.705 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.681 -20.866 2.897 1.00 0.00 N ATOM 1286 CZ ARG A 85 -1.430 -22.149 3.128 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -0.178 -22.582 3.197 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.432 -23.004 3.292 1.00 0.00 N ATOM 0 H ARG A 85 1.323 -15.131 2.286 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.339 -15.837 1.263 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.073 -17.806 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.787 -17.763 2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.607 -18.043 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.062 -18.595 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.016 -20.168 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.024 -19.800 3.603 1.00 0.00 H new ATOM 0 HE ARG A 85 -2.655 -20.566 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.595 -21.929 3.072 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.011 -23.568 3.375 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.396 -22.676 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -2.238 -23.989 3.469 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.135 -15.232 3.517 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.659 -14.899 4.836 1.00 0.00 C ATOM 1304 C ALA A 86 -2.671 -16.122 5.747 1.00 0.00 C ATOM 1305 O ALA A 86 -2.270 -17.214 5.344 1.00 0.00 O ATOM 1306 CB ALA A 86 -4.058 -14.313 4.716 1.00 0.00 C ATOM 0 H ALA A 86 -2.762 -15.006 2.745 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.002 -14.153 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.437 -14.069 5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.023 -13.409 4.109 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.718 -15.041 4.245 1.00 0.00 H new ATOM 1312 N THR A 87 -3.135 -15.932 6.979 1.00 0.00 N ATOM 1313 CA THR A 87 -3.198 -17.020 7.947 1.00 0.00 C ATOM 1314 C THR A 87 -4.567 -17.689 7.934 1.00 0.00 C ATOM 1315 O THR A 87 -4.685 -18.889 8.182 1.00 0.00 O ATOM 1316 CB THR A 87 -2.897 -16.520 9.373 1.00 0.00 C ATOM 1317 OG1 THR A 87 -2.651 -17.632 10.240 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.056 -15.696 9.913 1.00 0.00 C ATOM 0 H THR A 87 -3.472 -15.035 7.329 1.00 0.00 H new ATOM 0 HA THR A 87 -2.439 -17.747 7.656 1.00 0.00 H new ATOM 0 HB THR A 87 -2.010 -15.888 9.333 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.459 -17.306 11.144 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.821 -15.354 10.921 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.222 -14.834 9.267 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.957 -16.309 9.939 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.600 -16.906 7.642 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.963 -17.424 7.594 1.00 0.00 C ATOM 1328 C ASP A 88 -7.791 -16.679 6.553 1.00 0.00 C ATOM 1329 O ASP A 88 -7.506 -15.526 6.228 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.623 -17.308 8.969 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.290 -18.480 9.872 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -6.113 -18.607 10.267 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -8.207 -19.269 10.182 1.00 0.00 O ATOM 0 H ASP A 88 -5.520 -15.910 7.435 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.917 -18.475 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.301 -16.382 9.446 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.704 -17.244 8.846 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.817 -17.344 6.033 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.688 -16.745 5.030 1.00 0.00 C ATOM 1340 C ALA A 89 -10.174 -15.370 5.476 1.00 0.00 C ATOM 1341 O ALA A 89 -10.529 -14.527 4.651 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.870 -17.658 4.743 1.00 0.00 C ATOM 0 H ALA A 89 -9.066 -18.299 6.290 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.112 -16.618 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.512 -17.197 3.992 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.508 -18.617 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.439 -17.815 5.659 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.190 -15.150 6.786 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.633 -13.877 7.344 1.00 0.00 C ATOM 1350 C LYS A 90 -9.516 -12.840 7.287 1.00 0.00 C ATOM 1351 O LYS A 90 -9.770 -11.651 7.101 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.097 -14.064 8.790 1.00 0.00 C ATOM 1353 CG LYS A 90 -12.343 -14.923 8.923 1.00 0.00 C ATOM 1354 CD LYS A 90 -13.145 -14.552 10.159 1.00 0.00 C ATOM 1355 CE LYS A 90 -12.465 -15.036 11.431 1.00 0.00 C ATOM 1356 NZ LYS A 90 -12.950 -14.302 12.632 1.00 0.00 N ATOM 0 H LYS A 90 -9.901 -15.837 7.482 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.469 -13.518 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.290 -14.517 9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.292 -13.086 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -12.965 -14.804 8.035 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.058 -15.974 8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.270 -13.470 10.201 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.142 -14.986 10.091 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.649 -16.103 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.387 -14.908 11.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -12.463 -14.661 13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.751 -13.287 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.975 -14.445 12.736 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.279 -13.300 7.447 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.123 -12.411 7.413 1.00 0.00 C ATOM 1372 C GLU A 91 -6.766 -12.038 5.977 1.00 0.00 C ATOM 1373 O GLU A 91 -6.095 -11.035 5.734 1.00 0.00 O ATOM 1374 CB GLU A 91 -5.923 -13.072 8.094 1.00 0.00 C ATOM 1375 CG GLU A 91 -4.650 -12.246 8.019 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.696 -11.020 8.911 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.877 -11.185 10.135 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -4.552 -9.897 8.384 1.00 0.00 O ATOM 0 H GLU A 91 -8.052 -14.282 7.601 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.381 -11.500 7.953 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.166 -13.256 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.744 -14.043 7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.801 -12.867 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.484 -11.934 6.988 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.218 -12.854 5.031 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.945 -12.612 3.619 1.00 0.00 C ATOM 1387 C ARG A 92 -7.571 -11.297 3.162 1.00 0.00 C ATOM 1388 O ARG A 92 -6.868 -10.376 2.747 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.479 -13.766 2.769 1.00 0.00 C ATOM 1390 CG ARG A 92 -7.008 -13.727 1.324 1.00 0.00 C ATOM 1391 CD ARG A 92 -7.941 -12.898 0.456 1.00 0.00 C ATOM 1392 NE ARG A 92 -9.328 -13.343 0.564 1.00 0.00 N ATOM 1393 CZ ARG A 92 -9.777 -14.481 0.048 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -8.952 -15.287 -0.608 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -11.053 -14.817 0.188 1.00 0.00 N ATOM 0 H ARG A 92 -7.775 -13.688 5.216 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.865 -12.545 3.490 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -7.170 -14.710 3.218 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.569 -13.746 2.788 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -6.002 -13.310 1.279 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -6.950 -14.742 0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -7.873 -11.850 0.748 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.620 -12.961 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.988 -12.747 1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.970 -15.033 -0.717 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -9.300 -16.161 -1.003 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -11.690 -14.201 0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -11.397 -15.692 -0.209 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.895 -11.219 3.241 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.615 -10.018 2.834 1.00 0.00 C ATOM 1411 C GLN A 93 -9.032 -8.780 3.508 1.00 0.00 C ATOM 1412 O GLN A 93 -8.966 -7.707 2.908 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.100 -10.148 3.175 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.368 -10.351 4.658 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.848 -10.411 4.980 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.574 -11.262 4.465 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.305 -9.504 5.837 1.00 0.00 N ATOM 0 H GLN A 93 -9.491 -11.973 3.583 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.506 -9.907 1.755 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.621 -9.251 2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.520 -10.987 2.620 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.891 -11.274 4.987 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -10.910 -9.538 5.221 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.668 -8.817 6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.293 -9.495 6.092 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.611 -8.936 4.759 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.033 -7.830 5.515 1.00 0.00 C ATOM 1428 C HIS A 94 -6.858 -7.214 4.763 1.00 0.00 C ATOM 1429 O HIS A 94 -6.892 -6.040 4.393 1.00 0.00 O ATOM 1430 CB HIS A 94 -7.577 -8.310 6.893 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.005 -7.221 7.747 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -7.780 -6.262 8.363 1.00 0.00 N ATOM 1433 CD2 HIS A 94 -5.725 -6.943 8.088 1.00 0.00 C ATOM 1434 CE1 HIS A 94 -7.002 -5.440 9.044 1.00 0.00 C ATOM 1435 NE2 HIS A 94 -5.750 -5.832 8.894 1.00 0.00 N ATOM 0 H HIS A 94 -8.659 -9.817 5.271 1.00 0.00 H new ATOM 0 HA HIS A 94 -8.801 -7.067 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.424 -8.760 7.411 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.829 -9.093 6.767 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -8.796 -6.197 8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -4.847 -7.493 7.783 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -7.333 -4.592 9.625 1.00 0.00 H new ATOM 1444 N TRP A 95 -5.819 -8.012 4.541 1.00 0.00 N ATOM 1445 CA TRP A 95 -4.633 -7.543 3.834 1.00 0.00 C ATOM 1446 C TRP A 95 -5.011 -6.891 2.509 1.00 0.00 C ATOM 1447 O TRP A 95 -4.752 -5.708 2.292 1.00 0.00 O ATOM 1448 CB TRP A 95 -3.669 -8.705 3.588 1.00 0.00 C ATOM 1449 CG TRP A 95 -2.816 -9.031 4.777 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -2.868 -10.165 5.537 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -1.786 -8.213 5.342 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -1.932 -10.101 6.541 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.254 -8.914 6.443 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.258 -6.959 5.025 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.224 -8.400 7.225 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.236 -6.450 5.803 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.273 -7.170 6.892 1.00 0.00 C ATOM 0 H TRP A 95 -5.774 -8.986 4.840 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.140 -6.796 4.457 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.241 -9.589 3.307 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.025 -8.461 2.744 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -3.545 -10.990 5.373 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -1.768 -10.820 7.245 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.642 -6.397 4.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 0.169 -8.953 8.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.178 -5.481 5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.073 -6.745 7.480 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.625 -7.671 1.625 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.040 -7.168 0.320 1.00 0.00 C ATOM 1470 C VAL A 96 -6.715 -5.807 0.446 1.00 0.00 C ATOM 1471 O VAL A 96 -6.358 -4.859 -0.254 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.006 -8.145 -0.376 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.444 -7.592 -1.724 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.357 -9.511 -0.536 1.00 0.00 C ATOM 0 H VAL A 96 -5.846 -8.653 1.788 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.138 -7.069 -0.283 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.892 -8.260 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.126 -8.295 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.950 -6.638 -1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.570 -7.446 -2.359 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.053 -10.189 -1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.454 -9.416 -1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.098 -9.908 0.446 1.00 0.00 H new ATOM 1484 N SER A 97 -7.692 -5.716 1.342 1.00 0.00 N ATOM 1485 CA SER A 97 -8.419 -4.471 1.557 1.00 0.00 C ATOM 1486 C SER A 97 -7.506 -3.404 2.153 1.00 0.00 C ATOM 1487 O SER A 97 -7.148 -2.434 1.484 1.00 0.00 O ATOM 1488 CB SER A 97 -9.615 -4.708 2.481 1.00 0.00 C ATOM 1489 OG SER A 97 -10.320 -3.502 2.722 1.00 0.00 O ATOM 0 H SER A 97 -7.999 -6.490 1.931 1.00 0.00 H new ATOM 0 HA SER A 97 -8.779 -4.118 0.591 1.00 0.00 H new ATOM 0 HB2 SER A 97 -10.285 -5.441 2.033 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.271 -5.127 3.427 1.00 0.00 H new ATOM 0 HG SER A 97 -11.081 -3.680 3.314 1.00 0.00 H new ATOM 1495 N ARG A 98 -7.132 -3.591 3.414 1.00 0.00 N ATOM 1496 CA ARG A 98 -6.261 -2.645 4.101 1.00 0.00 C ATOM 1497 C ARG A 98 -5.225 -2.064 3.142 1.00 0.00 C ATOM 1498 O ARG A 98 -5.082 -0.846 3.030 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.558 -3.327 5.276 1.00 0.00 C ATOM 1500 CG ARG A 98 -6.498 -3.718 6.404 1.00 0.00 C ATOM 1501 CD ARG A 98 -7.166 -2.499 7.022 1.00 0.00 C ATOM 1502 NE ARG A 98 -8.412 -2.154 6.342 1.00 0.00 N ATOM 1503 CZ ARG A 98 -9.223 -1.182 6.743 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -8.921 -0.461 7.815 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -10.339 -0.928 6.072 1.00 0.00 N ATOM 0 H ARG A 98 -7.418 -4.389 3.981 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.878 -1.830 4.479 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -5.047 -4.219 4.914 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.792 -2.658 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -7.260 -4.398 6.024 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.943 -4.258 7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.369 -2.692 8.075 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.483 -1.651 6.979 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.673 -2.689 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -8.064 -0.653 8.334 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -9.546 0.285 8.121 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.575 -1.480 5.247 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.961 -0.181 6.381 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.506 -2.943 2.454 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.482 -2.519 1.505 1.00 0.00 C ATOM 1521 C LEU A 99 -4.092 -1.682 0.385 1.00 0.00 C ATOM 1522 O LEU A 99 -3.627 -0.580 0.098 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.768 -3.737 0.917 1.00 0.00 C ATOM 1524 CG LEU A 99 -1.969 -4.589 1.904 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -1.750 -5.987 1.347 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.638 -3.925 2.226 1.00 0.00 C ATOM 0 H LEU A 99 -4.613 -3.954 2.535 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.757 -1.905 2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.512 -4.373 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.092 -3.394 0.134 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.542 -4.675 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.180 -6.579 2.063 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.714 -6.463 1.169 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.199 -5.923 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.083 -4.545 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.059 -3.808 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.818 -2.946 2.669 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.137 -2.214 -0.242 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.811 -1.515 -1.330 1.00 0.00 C ATOM 1540 C GLN A 100 -6.186 -0.096 -0.915 1.00 0.00 C ATOM 1541 O GLN A 100 -6.330 0.790 -1.759 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.063 -2.281 -1.758 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.775 -3.443 -2.695 1.00 0.00 C ATOM 1544 CD GLN A 100 -7.914 -4.442 -2.754 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -8.618 -4.657 -1.767 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.102 -5.058 -3.915 1.00 0.00 N ATOM 0 H GLN A 100 -5.535 -3.126 -0.015 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.123 -1.458 -2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.569 -2.658 -0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.751 -1.592 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.582 -3.058 -3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.868 -3.951 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.495 -4.849 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -8.854 -5.740 -4.015 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.341 0.113 0.388 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.698 1.425 0.913 1.00 0.00 C ATOM 1557 C ILE A 101 -5.468 2.316 1.050 1.00 0.00 C ATOM 1558 O ILE A 101 -5.484 3.479 0.644 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.391 1.313 2.284 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.712 0.551 2.152 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.628 2.695 2.873 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -9.218 -0.014 3.461 1.00 0.00 C ATOM 0 H ILE A 101 -6.225 -0.609 1.099 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.390 1.872 0.200 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.739 0.759 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.467 1.219 1.738 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.582 -0.264 1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.118 2.598 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.673 3.205 2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -8.263 3.273 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -10.157 -0.540 3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.481 -0.707 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -9.380 0.798 4.169 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.405 1.763 1.621 1.00 0.00 N ATOM 1575 CA CYS A 102 -3.164 2.507 1.810 1.00 0.00 C ATOM 1576 C CYS A 102 -2.553 2.895 0.467 1.00 0.00 C ATOM 1577 O CYS A 102 -2.191 4.051 0.248 1.00 0.00 O ATOM 1578 CB CYS A 102 -2.166 1.678 2.619 1.00 0.00 C ATOM 1579 SG CYS A 102 -0.815 2.643 3.336 1.00 0.00 S ATOM 0 H CYS A 102 -4.376 0.802 1.962 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.396 3.419 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.700 1.168 3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -1.745 0.906 1.975 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.025 1.855 4.003 1.00 0.00 H new ATOM 1585 N THR A 103 -2.439 1.919 -0.429 1.00 0.00 N ATOM 1586 CA THR A 103 -1.868 2.157 -1.749 1.00 0.00 C ATOM 1587 C THR A 103 -2.489 3.386 -2.403 1.00 0.00 C ATOM 1588 O THR A 103 -1.783 4.231 -2.952 1.00 0.00 O ATOM 1589 CB THR A 103 -2.067 0.942 -2.674 1.00 0.00 C ATOM 1590 OG1 THR A 103 -1.372 1.147 -3.909 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.545 0.709 -2.951 1.00 0.00 C ATOM 0 H THR A 103 -2.735 0.957 -0.264 1.00 0.00 H new ATOM 0 HA THR A 103 -0.801 2.325 -1.606 1.00 0.00 H new ATOM 0 HB THR A 103 -1.664 0.062 -2.173 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.505 1.568 -3.731 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.661 -0.154 -3.606 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.066 0.524 -2.012 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.968 1.590 -3.433 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.814 3.480 -2.338 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.529 4.607 -2.925 1.00 0.00 C ATOM 1601 C GLN A 104 -4.396 5.850 -2.052 1.00 0.00 C ATOM 1602 O GLN A 104 -3.982 6.910 -2.521 1.00 0.00 O ATOM 1603 CB GLN A 104 -6.006 4.258 -3.115 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.806 5.351 -3.804 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.267 5.349 -3.400 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.669 4.625 -2.488 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -9.070 6.160 -4.078 1.00 0.00 N ATOM 0 H GLN A 104 -4.413 2.790 -1.885 1.00 0.00 H new ATOM 0 HA GLN A 104 -4.085 4.820 -3.898 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.082 3.341 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.450 4.053 -2.141 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.369 6.321 -3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.732 5.224 -4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.693 6.742 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -10.064 6.201 -3.851 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.750 5.713 -0.778 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.670 6.825 0.162 1.00 0.00 C ATOM 1618 C HIS A 105 -3.320 7.528 0.059 1.00 0.00 C ATOM 1619 O HIS A 105 -3.206 8.720 0.344 1.00 0.00 O ATOM 1620 CB HIS A 105 -4.892 6.330 1.592 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.431 7.381 2.513 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.652 7.992 2.325 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -4.907 7.926 3.636 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -6.856 8.870 3.291 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.812 8.849 4.100 1.00 0.00 N ATOM 0 H HIS A 105 -5.095 4.843 -0.373 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.453 7.540 -0.093 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.582 5.487 1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -3.947 5.959 1.990 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -3.955 7.681 4.083 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.728 9.498 3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.697 9.425 4.934 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.299 6.781 -0.350 1.00 0.00 N ATOM 1635 CA HIS A 106 -0.957 7.333 -0.491 1.00 0.00 C ATOM 1636 C HIS A 106 -0.737 7.875 -1.900 1.00 0.00 C ATOM 1637 O HIS A 106 -0.575 9.080 -2.095 1.00 0.00 O ATOM 1638 CB HIS A 106 0.092 6.266 -0.174 1.00 0.00 C ATOM 1639 CG HIS A 106 0.448 6.190 1.279 1.00 0.00 C ATOM 1640 ND1 HIS A 106 1.645 6.651 1.786 1.00 0.00 N ATOM 1641 CD2 HIS A 106 -0.244 5.704 2.336 1.00 0.00 C ATOM 1642 CE1 HIS A 106 1.674 6.451 3.091 1.00 0.00 C ATOM 1643 NE2 HIS A 106 0.540 5.877 3.450 1.00 0.00 N ATOM 0 H HIS A 106 -2.376 5.792 -0.589 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.854 8.156 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.280 5.295 -0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.994 6.472 -0.750 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -1.229 5.262 2.308 1.00 0.00 H new ATOM 0 HE1 HIS A 106 2.487 6.712 3.752 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.288 5.606 4.400 1.00 0.00 H new ATOM 1652 N THR A 107 -0.733 6.978 -2.881 1.00 0.00 N ATOM 1653 CA THR A 107 -0.531 7.366 -4.271 1.00 0.00 C ATOM 1654 C THR A 107 -1.259 8.666 -4.590 1.00 0.00 C ATOM 1655 O THR A 107 -0.785 9.473 -5.389 1.00 0.00 O ATOM 1656 CB THR A 107 -1.017 6.268 -5.236 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.315 6.364 -6.480 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.514 6.389 -5.483 1.00 0.00 C ATOM 0 H THR A 107 -0.868 5.977 -2.738 1.00 0.00 H new ATOM 0 HA THR A 107 0.541 7.511 -4.407 1.00 0.00 H new ATOM 0 HB THR A 107 -0.817 5.299 -4.779 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.154 7.307 -6.693 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.835 5.603 -6.167 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.048 6.287 -4.538 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.733 7.363 -5.921 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.413 8.863 -3.960 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.206 10.068 -4.178 1.00 0.00 C ATOM 1668 C GLU A 108 -2.390 11.320 -3.869 1.00 0.00 C ATOM 1669 O GLU A 108 -2.360 12.263 -4.658 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.465 10.040 -3.309 1.00 0.00 C ATOM 1671 CG GLU A 108 -5.639 10.792 -3.915 1.00 0.00 C ATOM 1672 CD GLU A 108 -6.807 10.919 -2.957 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -6.597 11.411 -1.828 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -7.931 10.526 -3.335 1.00 0.00 O ATOM 0 H GLU A 108 -2.819 8.205 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.498 10.095 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.757 9.003 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.233 10.469 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.312 11.787 -4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.968 10.277 -4.818 1.00 0.00 H new ATOM 1681 N ALA A 109 -1.730 11.319 -2.716 1.00 0.00 N ATOM 1682 CA ALA A 109 -0.912 12.453 -2.303 1.00 0.00 C ATOM 1683 C ALA A 109 0.102 12.820 -3.381 1.00 0.00 C ATOM 1684 O ALA A 109 0.343 13.999 -3.644 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.204 12.144 -0.993 1.00 0.00 C ATOM 0 H ALA A 109 -1.746 10.546 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.570 13.309 -2.154 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.403 13.000 -0.697 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.944 11.939 -0.219 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.437 11.272 -1.123 1.00 0.00 H new