USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 162:sc= 0.297 USER MOD Set 1.2: A 70 CYS SG : rot -30:sc= -1.78 USER MOD Set 1.3: A 83 HIS : no HE2:sc= -1.53! X(o=-3!,f=-3.3) USER MOD Set 1.4: A 87 HIS : no HD1:sc= -0.0259 K(o=-3,f=-6.9) USER MOD Set 2.1: A 39 CYS SG : rot -156:sc= 0.836 USER MOD Set 2.2: A 42 CYS SG : rot -120:sc= -1.74! USER MOD Set 2.3: A 55 HIS : no HD1:sc= 0.0299 X(o=-1.2,f=-1.7) USER MOD Set 2.4: A 59 HIS : no HD1:sc= -0.364 K(o=-1.2,f=-1.9) USER MOD Set 3.1: A 44 TYR OH : rot 30:sc= 0.0238 USER MOD Set 3.2: A 51 SER OG : rot -81:sc= 0.0259 USER MOD Set 4.1: A 11 CYS SG : rot 70:sc= -3.15! USER MOD Set 4.2: A 14 CYS SG : rot -57:sc= -1.27 USER MOD Set 4.3: A 27 HIS : no HD1:sc= -0.488 K(o=-6.2,f=-12!) USER MOD Set 4.4: A 28 MET CE :methyl -146:sc= -0.0647 (180deg=-0.817) USER MOD Set 4.5: A 31 HIS : no HD1:sc= -1.22 K(o=-6.2,f=-9.5) USER MOD Single : A 9 HIS : no HE2:sc= -3.21! C(o=-3.2!,f=-3.9!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 20:sc=0.000296 USER MOD Single : A 19 SER OG : rot 180:sc= -0.486 USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0257) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.0101 (180deg=-0.432) USER MOD Single : A 40 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.068) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 50 SER OG : rot 180:sc= -0.0979 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= -0.0253 (180deg=-0.773) USER MOD Single : A 68 GLN : amide:sc=-0.00879 X(o=-0.0088,f=-0.0088) USER MOD Single : A 72 TYR OH : rot 150:sc= -0.399 USER MOD Single : A 74 SER OG : rot 95:sc= 0.158 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.907 F(o=-5.5!,f=-0.91) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 -2.504 1.485 4.993 1.00 0.00 N ATOM 81 CA HIS A 9 -2.740 0.533 3.913 1.00 0.00 C ATOM 82 C HIS A 9 -2.740 -0.898 4.440 1.00 0.00 C ATOM 83 O HIS A 9 -1.949 -1.249 5.316 1.00 0.00 O ATOM 84 CB HIS A 9 -1.675 0.689 2.826 1.00 0.00 C ATOM 85 CG HIS A 9 -1.904 1.866 1.928 1.00 0.00 C ATOM 86 ND1 HIS A 9 -3.042 2.021 1.166 1.00 0.00 N ATOM 87 CD2 HIS A 9 -1.132 2.948 1.674 1.00 0.00 C ATOM 88 CE1 HIS A 9 -2.960 3.148 0.481 1.00 0.00 C ATOM 89 NE2 HIS A 9 -1.811 3.730 0.772 1.00 0.00 N ATOM 0 HA HIS A 9 -3.720 0.743 3.484 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -0.697 0.787 3.298 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -1.648 -0.218 2.222 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -3.825 1.368 1.136 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -0.162 3.158 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -3.706 3.528 -0.201 1.00 0.00 H new ATOM 97 N LYS A 10 -3.633 -1.722 3.902 1.00 0.00 N ATOM 98 CA LYS A 10 -3.737 -3.116 4.317 1.00 0.00 C ATOM 99 C LYS A 10 -3.809 -4.040 3.106 1.00 0.00 C ATOM 100 O LYS A 10 -4.633 -3.846 2.212 1.00 0.00 O ATOM 101 CB LYS A 10 -4.972 -3.316 5.199 1.00 0.00 C ATOM 102 CG LYS A 10 -4.944 -4.605 6.001 1.00 0.00 C ATOM 103 CD LYS A 10 -6.193 -4.760 6.852 1.00 0.00 C ATOM 104 CE LYS A 10 -6.117 -5.996 7.735 1.00 0.00 C ATOM 105 NZ LYS A 10 -7.321 -6.136 8.599 1.00 0.00 N ATOM 0 H LYS A 10 -4.296 -1.448 3.177 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.844 -3.366 4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.059 -2.473 5.885 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.862 -3.308 4.570 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.857 -5.454 5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.062 -4.617 6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.322 -3.875 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.069 -4.826 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.014 -6.883 7.110 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.226 -5.941 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.230 -6.990 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.406 -5.302 9.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.169 -6.214 8.002 1.00 0.00 H new ATOM 119 N CYS A 11 -2.942 -5.046 3.083 1.00 0.00 N ATOM 120 CA CYS A 11 -2.907 -6.002 1.983 1.00 0.00 C ATOM 121 C CYS A 11 -4.228 -6.759 1.877 1.00 0.00 C ATOM 122 O CYS A 11 -5.020 -6.777 2.819 1.00 0.00 O ATOM 123 CB CYS A 11 -1.754 -6.990 2.174 1.00 0.00 C ATOM 124 SG CYS A 11 -1.076 -7.651 0.618 1.00 0.00 S ATOM 0 H CYS A 11 -2.253 -5.221 3.815 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.751 -5.447 1.058 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.954 -6.496 2.726 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -2.100 -7.821 2.789 1.00 0.00 H new ATOM 0 HG CYS A 11 -0.439 -6.709 -0.013 1.00 0.00 H new ATOM 129 N GLU A 12 -4.457 -7.381 0.725 1.00 0.00 N ATOM 130 CA GLU A 12 -5.682 -8.139 0.497 1.00 0.00 C ATOM 131 C GLU A 12 -5.365 -9.560 0.040 1.00 0.00 C ATOM 132 O GLU A 12 -6.206 -10.455 0.130 1.00 0.00 O ATOM 133 CB GLU A 12 -6.554 -7.438 -0.546 1.00 0.00 C ATOM 134 CG GLU A 12 -5.866 -7.248 -1.887 1.00 0.00 C ATOM 135 CD GLU A 12 -6.511 -6.162 -2.725 1.00 0.00 C ATOM 136 OE1 GLU A 12 -7.604 -6.408 -3.278 1.00 0.00 O ATOM 137 OE2 GLU A 12 -5.924 -5.064 -2.828 1.00 0.00 O ATOM 0 H GLU A 12 -3.811 -7.375 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.227 -8.192 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.465 -8.017 -0.694 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.855 -6.464 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.818 -6.999 -1.721 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -5.887 -8.188 -2.438 1.00 0.00 H new ATOM 144 N VAL A 13 -4.147 -9.759 -0.452 1.00 0.00 N ATOM 145 CA VAL A 13 -3.718 -11.071 -0.924 1.00 0.00 C ATOM 146 C VAL A 13 -3.311 -11.967 0.240 1.00 0.00 C ATOM 147 O VAL A 13 -3.547 -13.175 0.220 1.00 0.00 O ATOM 148 CB VAL A 13 -2.537 -10.955 -1.906 1.00 0.00 C ATOM 149 CG1 VAL A 13 -3.035 -10.611 -3.301 1.00 0.00 C ATOM 150 CG2 VAL A 13 -1.537 -9.919 -1.417 1.00 0.00 C ATOM 0 H VAL A 13 -3.439 -9.029 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.568 -11.516 -1.441 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.031 -11.919 -1.954 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.187 -10.533 -3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.709 -11.393 -3.650 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.566 -9.660 -3.273 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.709 -9.850 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.028 -8.949 -1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.156 -10.214 -0.439 1.00 0.00 H new ATOM 160 N CYS A 14 -2.698 -11.368 1.255 1.00 0.00 N ATOM 161 CA CYS A 14 -2.257 -12.111 2.430 1.00 0.00 C ATOM 162 C CYS A 14 -2.839 -11.507 3.705 1.00 0.00 C ATOM 163 O CYS A 14 -3.252 -12.228 4.613 1.00 0.00 O ATOM 164 CB CYS A 14 -0.730 -12.121 2.509 1.00 0.00 C ATOM 165 SG CYS A 14 0.000 -10.528 3.007 1.00 0.00 S ATOM 0 H CYS A 14 -2.495 -10.369 1.288 1.00 0.00 H new ATOM 0 HA CYS A 14 -2.616 -13.136 2.337 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.419 -12.888 3.218 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -0.328 -12.404 1.536 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.384 -9.598 2.183 1.00 0.00 H new ATOM 170 N GLY A 15 -2.870 -10.179 3.765 1.00 0.00 N ATOM 171 CA GLY A 15 -3.403 -9.501 4.932 1.00 0.00 C ATOM 172 C GLY A 15 -2.320 -9.101 5.915 1.00 0.00 C ATOM 173 O GLY A 15 -2.414 -9.393 7.107 1.00 0.00 O ATOM 0 H GLY A 15 -2.535 -9.561 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.948 -8.612 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.120 -10.153 5.431 1.00 0.00 H new ATOM 177 N LYS A 16 -1.288 -8.431 5.414 1.00 0.00 N ATOM 178 CA LYS A 16 -0.181 -7.990 6.255 1.00 0.00 C ATOM 179 C LYS A 16 -0.273 -6.493 6.534 1.00 0.00 C ATOM 180 O LYS A 16 -0.540 -5.699 5.630 1.00 0.00 O ATOM 181 CB LYS A 16 1.156 -8.314 5.586 1.00 0.00 C ATOM 182 CG LYS A 16 2.306 -8.468 6.567 1.00 0.00 C ATOM 183 CD LYS A 16 2.247 -9.803 7.289 1.00 0.00 C ATOM 184 CE LYS A 16 3.044 -9.771 8.584 1.00 0.00 C ATOM 185 NZ LYS A 16 2.214 -9.319 9.735 1.00 0.00 N ATOM 0 H LYS A 16 -1.195 -8.181 4.429 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.243 -8.523 7.204 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.052 -9.236 5.013 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.399 -7.523 4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.253 -8.383 6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.275 -7.658 7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.209 -10.055 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.637 -10.587 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.441 -10.765 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.898 -9.104 8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.793 -9.311 10.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.856 -8.361 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.413 -9.970 9.862 1.00 0.00 H new ATOM 199 N CYS A 17 -0.050 -6.114 7.787 1.00 0.00 N ATOM 200 CA CYS A 17 -0.107 -4.712 8.184 1.00 0.00 C ATOM 201 C CYS A 17 1.145 -3.967 7.730 1.00 0.00 C ATOM 202 O CYS A 17 2.211 -4.562 7.571 1.00 0.00 O ATOM 203 CB CYS A 17 -0.262 -4.595 9.701 1.00 0.00 C ATOM 204 SG CYS A 17 1.166 -5.189 10.637 1.00 0.00 S ATOM 0 H CYS A 17 0.172 -6.758 8.546 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.973 -4.259 7.702 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.442 -3.551 9.958 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.144 -5.156 10.010 1.00 0.00 H new ATOM 0 HG CYS A 17 2.211 -5.214 9.865 1.00 0.00 H new ATOM 210 N PHE A 18 1.007 -2.662 7.521 1.00 0.00 N ATOM 211 CA PHE A 18 2.126 -1.836 7.082 1.00 0.00 C ATOM 212 C PHE A 18 2.066 -0.453 7.725 1.00 0.00 C ATOM 213 O PHE A 18 1.100 -0.116 8.410 1.00 0.00 O ATOM 214 CB PHE A 18 2.122 -1.702 5.558 1.00 0.00 C ATOM 215 CG PHE A 18 1.812 -2.987 4.844 1.00 0.00 C ATOM 216 CD1 PHE A 18 2.751 -4.004 4.781 1.00 0.00 C ATOM 217 CD2 PHE A 18 0.581 -3.179 4.238 1.00 0.00 C ATOM 218 CE1 PHE A 18 2.468 -5.187 4.125 1.00 0.00 C ATOM 219 CE2 PHE A 18 0.293 -4.360 3.580 1.00 0.00 C ATOM 220 CZ PHE A 18 1.237 -5.366 3.525 1.00 0.00 C ATOM 0 H PHE A 18 0.132 -2.154 7.648 1.00 0.00 H new ATOM 0 HA PHE A 18 3.049 -2.324 7.395 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.388 -0.949 5.269 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.096 -1.340 5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.715 -3.871 5.250 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.162 -2.397 4.280 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.209 -5.971 4.082 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.670 -4.496 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.013 -6.291 3.014 1.00 0.00 H new ATOM 230 N SER A 19 3.105 0.343 7.499 1.00 0.00 N ATOM 231 CA SER A 19 3.174 1.688 8.059 1.00 0.00 C ATOM 232 C SER A 19 3.064 2.741 6.961 1.00 0.00 C ATOM 233 O SER A 19 2.397 3.762 7.129 1.00 0.00 O ATOM 234 CB SER A 19 4.482 1.876 8.831 1.00 0.00 C ATOM 235 OG SER A 19 4.459 3.073 9.589 1.00 0.00 O ATOM 0 H SER A 19 3.911 0.080 6.932 1.00 0.00 H new ATOM 0 HA SER A 19 2.335 1.812 8.743 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.642 1.025 9.493 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.319 1.899 8.134 1.00 0.00 H new ATOM 0 HG SER A 19 5.305 3.169 10.074 1.00 0.00 H new ATOM 241 N ARG A 20 3.722 2.484 5.835 1.00 0.00 N ATOM 242 CA ARG A 20 3.700 3.408 4.709 1.00 0.00 C ATOM 243 C ARG A 20 3.404 2.671 3.406 1.00 0.00 C ATOM 244 O ARG A 20 3.222 1.454 3.396 1.00 0.00 O ATOM 245 CB ARG A 20 5.037 4.144 4.598 1.00 0.00 C ATOM 246 CG ARG A 20 5.341 5.038 5.789 1.00 0.00 C ATOM 247 CD ARG A 20 5.990 4.257 6.921 1.00 0.00 C ATOM 248 NE ARG A 20 6.898 5.087 7.708 1.00 0.00 N ATOM 249 CZ ARG A 20 8.170 5.295 7.385 1.00 0.00 C ATOM 250 NH1 ARG A 20 8.680 4.736 6.297 1.00 0.00 N ATOM 251 NH2 ARG A 20 8.933 6.063 8.151 1.00 0.00 N ATOM 0 H ARG A 20 4.277 1.643 5.679 1.00 0.00 H new ATOM 0 HA ARG A 20 2.907 4.135 4.884 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.837 3.412 4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.035 4.749 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.002 5.847 5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.419 5.498 6.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.216 3.850 7.571 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.538 3.410 6.509 1.00 0.00 H new ATOM 0 HE ARG A 20 6.536 5.531 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.096 4.145 5.706 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.657 4.897 6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 20 8.544 6.495 8.989 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.909 6.222 7.902 1.00 0.00 H new ATOM 265 N LYS A 21 3.356 3.418 2.308 1.00 0.00 N ATOM 266 CA LYS A 21 3.082 2.837 0.999 1.00 0.00 C ATOM 267 C LYS A 21 4.310 2.112 0.458 1.00 0.00 C ATOM 268 O LYS A 21 4.202 1.024 -0.109 1.00 0.00 O ATOM 269 CB LYS A 21 2.645 3.925 0.016 1.00 0.00 C ATOM 270 CG LYS A 21 1.986 3.382 -1.240 1.00 0.00 C ATOM 271 CD LYS A 21 0.504 3.126 -1.026 1.00 0.00 C ATOM 272 CE LYS A 21 -0.149 2.552 -2.274 1.00 0.00 C ATOM 273 NZ LYS A 21 -0.244 3.561 -3.365 1.00 0.00 N ATOM 0 H LYS A 21 3.503 4.427 2.299 1.00 0.00 H new ATOM 0 HA LYS A 21 2.275 2.113 1.112 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.951 4.599 0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.515 4.517 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.119 4.091 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.477 2.456 -1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.370 2.435 -0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.009 4.057 -0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.426 1.694 -2.622 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.147 2.189 -2.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.770 3.157 -4.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.741 4.405 -3.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.712 3.826 -3.677 1.00 0.00 H new ATOM 287 N ASP A 22 5.478 2.720 0.637 1.00 0.00 N ATOM 288 CA ASP A 22 6.727 2.131 0.170 1.00 0.00 C ATOM 289 C ASP A 22 6.809 0.656 0.551 1.00 0.00 C ATOM 290 O ASP A 22 7.202 -0.185 -0.258 1.00 0.00 O ATOM 291 CB ASP A 22 7.922 2.888 0.751 1.00 0.00 C ATOM 292 CG ASP A 22 7.700 3.300 2.193 1.00 0.00 C ATOM 293 OD1 ASP A 22 7.145 2.488 2.964 1.00 0.00 O ATOM 294 OD2 ASP A 22 8.081 4.433 2.552 1.00 0.00 O ATOM 0 H ASP A 22 5.585 3.621 1.103 1.00 0.00 H new ATOM 0 HA ASP A 22 6.752 2.209 -0.917 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.811 2.261 0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.114 3.775 0.148 1.00 0.00 H new ATOM 299 N LYS A 23 6.436 0.349 1.788 1.00 0.00 N ATOM 300 CA LYS A 23 6.466 -1.024 2.279 1.00 0.00 C ATOM 301 C LYS A 23 5.632 -1.939 1.387 1.00 0.00 C ATOM 302 O LYS A 23 6.064 -3.034 1.027 1.00 0.00 O ATOM 303 CB LYS A 23 5.948 -1.086 3.717 1.00 0.00 C ATOM 304 CG LYS A 23 7.001 -0.747 4.758 1.00 0.00 C ATOM 305 CD LYS A 23 6.721 -1.441 6.080 1.00 0.00 C ATOM 306 CE LYS A 23 7.274 -0.647 7.254 1.00 0.00 C ATOM 307 NZ LYS A 23 6.760 -1.153 8.557 1.00 0.00 N ATOM 0 H LYS A 23 6.109 1.033 2.470 1.00 0.00 H new ATOM 0 HA LYS A 23 7.500 -1.368 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.110 -0.397 3.822 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.564 -2.087 3.913 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.984 -1.042 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 23 7.029 0.332 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.646 -1.573 6.203 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.165 -2.436 6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.363 -0.700 7.248 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.005 0.403 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.160 -0.586 9.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.723 -1.079 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.038 -2.148 8.677 1.00 0.00 H new ATOM 321 N LEU A 24 4.435 -1.482 1.034 1.00 0.00 N ATOM 322 CA LEU A 24 3.541 -2.259 0.182 1.00 0.00 C ATOM 323 C LEU A 24 4.125 -2.420 -1.217 1.00 0.00 C ATOM 324 O LEU A 24 4.208 -3.531 -1.743 1.00 0.00 O ATOM 325 CB LEU A 24 2.170 -1.585 0.100 1.00 0.00 C ATOM 326 CG LEU A 24 1.034 -2.440 -0.461 1.00 0.00 C ATOM 327 CD1 LEU A 24 1.438 -3.060 -1.789 1.00 0.00 C ATOM 328 CD2 LEU A 24 0.638 -3.521 0.535 1.00 0.00 C ATOM 0 H LEU A 24 4.062 -0.578 1.324 1.00 0.00 H new ATOM 0 HA LEU A 24 3.427 -3.249 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.889 -1.255 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.263 -0.691 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 24 0.171 -1.796 -0.631 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.617 -3.665 -2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.672 -2.270 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.316 -3.690 -1.644 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.172 -4.120 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.496 -4.162 0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.306 -3.056 1.463 1.00 0.00 H new ATOM 340 N LYS A 25 4.531 -1.306 -1.816 1.00 0.00 N ATOM 341 CA LYS A 25 5.111 -1.322 -3.153 1.00 0.00 C ATOM 342 C LYS A 25 5.919 -2.596 -3.380 1.00 0.00 C ATOM 343 O LYS A 25 5.687 -3.329 -4.342 1.00 0.00 O ATOM 344 CB LYS A 25 6.003 -0.096 -3.360 1.00 0.00 C ATOM 345 CG LYS A 25 6.350 0.165 -4.815 1.00 0.00 C ATOM 346 CD LYS A 25 7.539 1.102 -4.946 1.00 0.00 C ATOM 347 CE LYS A 25 8.848 0.385 -4.655 1.00 0.00 C ATOM 348 NZ LYS A 25 9.934 1.337 -4.294 1.00 0.00 N ATOM 0 H LYS A 25 4.469 -0.379 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 25 4.295 -1.296 -3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.501 0.781 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.925 -0.228 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.573 -0.779 -5.312 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.488 0.596 -5.324 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.567 1.518 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.421 1.940 -4.259 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.700 -0.323 -3.840 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.148 -0.193 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.809 0.809 -4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.093 1.997 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.660 1.871 -3.445 1.00 0.00 H new ATOM 362 N THR A 26 6.869 -2.856 -2.486 1.00 0.00 N ATOM 363 CA THR A 26 7.710 -4.041 -2.589 1.00 0.00 C ATOM 364 C THR A 26 6.978 -5.281 -2.087 1.00 0.00 C ATOM 365 O THR A 26 7.092 -6.360 -2.670 1.00 0.00 O ATOM 366 CB THR A 26 9.017 -3.873 -1.791 1.00 0.00 C ATOM 367 OG1 THR A 26 9.633 -2.622 -2.118 1.00 0.00 O ATOM 368 CG2 THR A 26 9.982 -5.011 -2.086 1.00 0.00 C ATOM 0 H THR A 26 7.074 -2.261 -1.683 1.00 0.00 H new ATOM 0 HA THR A 26 7.950 -4.167 -3.645 1.00 0.00 H new ATOM 0 HB THR A 26 8.773 -3.891 -0.729 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.462 -2.522 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.897 -4.870 -1.511 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.522 -5.959 -1.809 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.220 -5.020 -3.150 1.00 0.00 H new ATOM 376 N HIS A 27 6.226 -5.120 -1.003 1.00 0.00 N ATOM 377 CA HIS A 27 5.473 -6.227 -0.424 1.00 0.00 C ATOM 378 C HIS A 27 4.894 -7.120 -1.516 1.00 0.00 C ATOM 379 O HIS A 27 4.828 -8.340 -1.364 1.00 0.00 O ATOM 380 CB HIS A 27 4.350 -5.696 0.467 1.00 0.00 C ATOM 381 CG HIS A 27 3.624 -6.769 1.219 1.00 0.00 C ATOM 382 ND1 HIS A 27 4.235 -7.578 2.154 1.00 0.00 N ATOM 383 CD2 HIS A 27 2.330 -7.163 1.171 1.00 0.00 C ATOM 384 CE1 HIS A 27 3.349 -8.425 2.647 1.00 0.00 C ATOM 385 NE2 HIS A 27 2.185 -8.193 2.068 1.00 0.00 N ATOM 0 H HIS A 27 6.122 -4.234 -0.508 1.00 0.00 H new ATOM 0 HA HIS A 27 6.156 -6.822 0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.768 -4.984 1.179 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.636 -5.149 -0.149 1.00 0.00 H new ATOM 0 HD2 HIS A 27 1.556 -6.745 0.544 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.543 -9.179 3.396 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.319 -8.697 2.256 1.00 0.00 H new ATOM 393 N MET A 28 4.474 -6.505 -2.617 1.00 0.00 N ATOM 394 CA MET A 28 3.900 -7.245 -3.734 1.00 0.00 C ATOM 395 C MET A 28 4.950 -8.135 -4.393 1.00 0.00 C ATOM 396 O MET A 28 4.696 -9.306 -4.675 1.00 0.00 O ATOM 397 CB MET A 28 3.313 -6.280 -4.766 1.00 0.00 C ATOM 398 CG MET A 28 2.215 -5.389 -4.208 1.00 0.00 C ATOM 399 SD MET A 28 0.574 -6.115 -4.385 1.00 0.00 S ATOM 400 CE MET A 28 0.210 -6.546 -2.685 1.00 0.00 C ATOM 0 H MET A 28 4.521 -5.496 -2.759 1.00 0.00 H new ATOM 0 HA MET A 28 3.103 -7.879 -3.346 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.112 -5.653 -5.162 1.00 0.00 H new ATOM 0 HB3 MET A 28 2.914 -6.854 -5.603 1.00 0.00 H new ATOM 0 HG2 MET A 28 2.411 -5.195 -3.153 1.00 0.00 H new ATOM 0 HG3 MET A 28 2.239 -4.426 -4.719 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.383 -7.460 -2.660 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.142 -6.703 -2.142 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.351 -5.737 -2.217 1.00 0.00 H new ATOM 410 N ARG A 29 6.129 -7.572 -4.636 1.00 0.00 N ATOM 411 CA ARG A 29 7.216 -8.314 -5.263 1.00 0.00 C ATOM 412 C ARG A 29 7.223 -9.766 -4.794 1.00 0.00 C ATOM 413 O ARG A 29 7.270 -10.690 -5.607 1.00 0.00 O ATOM 414 CB ARG A 29 8.560 -7.657 -4.945 1.00 0.00 C ATOM 415 CG ARG A 29 8.768 -6.324 -5.646 1.00 0.00 C ATOM 416 CD ARG A 29 10.223 -5.886 -5.591 1.00 0.00 C ATOM 417 NE ARG A 29 10.998 -6.420 -6.707 1.00 0.00 N ATOM 418 CZ ARG A 29 12.324 -6.512 -6.704 1.00 0.00 C ATOM 419 NH1 ARG A 29 13.017 -6.107 -5.649 1.00 0.00 N ATOM 420 NH2 ARG A 29 12.958 -7.009 -7.758 1.00 0.00 N ATOM 0 H ARG A 29 6.356 -6.604 -4.408 1.00 0.00 H new ATOM 0 HA ARG A 29 7.059 -8.299 -6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.636 -7.507 -3.868 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.363 -8.337 -5.229 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.451 -6.405 -6.686 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.141 -5.565 -5.179 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.274 -4.797 -5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.666 -6.216 -4.651 1.00 0.00 H new ATOM 0 HE ARG A 29 10.494 -6.740 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.533 -5.724 -4.837 1.00 0.00 H new ATOM 0 HH12 ARG A 29 14.034 -6.179 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.428 -7.321 -8.572 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.976 -7.079 -7.755 1.00 0.00 H new ATOM 434 N CYS A 30 7.178 -9.958 -3.481 1.00 0.00 N ATOM 435 CA CYS A 30 7.182 -11.298 -2.904 1.00 0.00 C ATOM 436 C CYS A 30 6.019 -12.125 -3.442 1.00 0.00 C ATOM 437 O CYS A 30 6.221 -13.169 -4.063 1.00 0.00 O ATOM 438 CB CYS A 30 7.104 -11.219 -1.378 1.00 0.00 C ATOM 439 SG CYS A 30 7.553 -12.754 -0.536 1.00 0.00 S ATOM 0 H CYS A 30 7.138 -9.204 -2.796 1.00 0.00 H new ATOM 0 HA CYS A 30 8.114 -11.786 -3.188 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.762 -10.422 -1.032 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.090 -10.943 -1.091 1.00 0.00 H new ATOM 0 HG CYS A 30 7.458 -12.587 0.750 1.00 0.00 H new ATOM 445 N HIS A 31 4.800 -11.652 -3.200 1.00 0.00 N ATOM 446 CA HIS A 31 3.604 -12.348 -3.659 1.00 0.00 C ATOM 447 C HIS A 31 3.760 -12.795 -5.110 1.00 0.00 C ATOM 448 O HIS A 31 3.811 -11.970 -6.023 1.00 0.00 O ATOM 449 CB HIS A 31 2.378 -11.446 -3.520 1.00 0.00 C ATOM 450 CG HIS A 31 2.069 -11.070 -2.104 1.00 0.00 C ATOM 451 ND1 HIS A 31 2.107 -11.971 -1.060 1.00 0.00 N ATOM 452 CD2 HIS A 31 1.717 -9.881 -1.560 1.00 0.00 C ATOM 453 CE1 HIS A 31 1.790 -11.353 0.064 1.00 0.00 C ATOM 454 NE2 HIS A 31 1.549 -10.084 -0.212 1.00 0.00 N ATOM 0 H HIS A 31 4.615 -10.789 -2.688 1.00 0.00 H new ATOM 0 HA HIS A 31 3.467 -13.232 -3.037 1.00 0.00 H new ATOM 0 HB2 HIS A 31 2.537 -10.538 -4.102 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.514 -11.953 -3.950 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.592 -8.947 -2.088 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.737 -11.808 1.042 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.281 -9.370 0.466 1.00 0.00 H new ATOM 535 N TYR A 37 -6.613 -18.445 -8.940 1.00 0.00 N ATOM 536 CA TYR A 37 -7.809 -18.832 -8.200 1.00 0.00 C ATOM 537 C TYR A 37 -7.503 -18.991 -6.714 1.00 0.00 C ATOM 538 O TYR A 37 -7.117 -20.068 -6.258 1.00 0.00 O ATOM 539 CB TYR A 37 -8.379 -20.138 -8.757 1.00 0.00 C ATOM 540 CG TYR A 37 -8.939 -20.006 -10.155 1.00 0.00 C ATOM 541 CD1 TYR A 37 -10.089 -19.264 -10.397 1.00 0.00 C ATOM 542 CD2 TYR A 37 -8.320 -20.624 -11.234 1.00 0.00 C ATOM 543 CE1 TYR A 37 -10.605 -19.141 -11.673 1.00 0.00 C ATOM 544 CE2 TYR A 37 -8.828 -20.506 -12.514 1.00 0.00 C ATOM 545 CZ TYR A 37 -9.970 -19.763 -12.727 1.00 0.00 C ATOM 546 OH TYR A 37 -10.480 -19.644 -14.000 1.00 0.00 O ATOM 0 HA TYR A 37 -8.549 -18.041 -8.317 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.595 -20.895 -8.759 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -9.165 -20.495 -8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.588 -18.775 -9.573 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.426 -21.207 -11.070 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.500 -18.561 -11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -8.334 -20.993 -13.342 1.00 0.00 H new ATOM 0 HH TYR A 37 -9.914 -20.141 -14.627 1.00 0.00 H new ATOM 556 N LYS A 38 -7.678 -17.910 -5.962 1.00 0.00 N ATOM 557 CA LYS A 38 -7.423 -17.926 -4.526 1.00 0.00 C ATOM 558 C LYS A 38 -8.627 -17.397 -3.754 1.00 0.00 C ATOM 559 O LYS A 38 -9.349 -16.522 -4.233 1.00 0.00 O ATOM 560 CB LYS A 38 -6.185 -17.089 -4.197 1.00 0.00 C ATOM 561 CG LYS A 38 -4.898 -17.653 -4.776 1.00 0.00 C ATOM 562 CD LYS A 38 -3.892 -16.554 -5.074 1.00 0.00 C ATOM 563 CE LYS A 38 -2.978 -16.298 -3.886 1.00 0.00 C ATOM 564 NZ LYS A 38 -1.993 -17.399 -3.696 1.00 0.00 N ATOM 0 H LYS A 38 -7.996 -17.011 -6.323 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.246 -18.959 -4.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.330 -16.077 -4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.084 -17.014 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.463 -18.365 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.120 -18.202 -5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.294 -16.833 -5.941 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.420 -15.636 -5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.447 -15.357 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.578 -16.188 -2.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.171 -17.042 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.437 -18.174 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.682 -17.750 -4.624 1.00 0.00 H new ATOM 578 N CYS A 39 -8.837 -17.931 -2.555 1.00 0.00 N ATOM 579 CA CYS A 39 -9.952 -17.512 -1.715 1.00 0.00 C ATOM 580 C CYS A 39 -9.787 -16.060 -1.276 1.00 0.00 C ATOM 581 O CYS A 39 -8.672 -15.543 -1.210 1.00 0.00 O ATOM 582 CB CYS A 39 -10.062 -18.419 -0.488 1.00 0.00 C ATOM 583 SG CYS A 39 -11.758 -18.600 0.153 1.00 0.00 S ATOM 0 H CYS A 39 -8.249 -18.655 -2.143 1.00 0.00 H new ATOM 0 HA CYS A 39 -10.867 -17.593 -2.301 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.674 -19.405 -0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.427 -18.021 0.303 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.714 -18.921 1.412 1.00 0.00 H new ATOM 588 N LYS A 40 -10.905 -15.408 -0.976 1.00 0.00 N ATOM 589 CA LYS A 40 -10.886 -14.017 -0.541 1.00 0.00 C ATOM 590 C LYS A 40 -10.391 -13.903 0.897 1.00 0.00 C ATOM 591 O LYS A 40 -9.426 -13.191 1.178 1.00 0.00 O ATOM 592 CB LYS A 40 -12.284 -13.405 -0.660 1.00 0.00 C ATOM 593 CG LYS A 40 -12.565 -12.789 -2.020 1.00 0.00 C ATOM 594 CD LYS A 40 -11.885 -11.439 -2.172 1.00 0.00 C ATOM 595 CE LYS A 40 -12.361 -10.713 -3.420 1.00 0.00 C ATOM 596 NZ LYS A 40 -13.744 -10.184 -3.260 1.00 0.00 N ATOM 0 H LYS A 40 -11.836 -15.821 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 40 -10.200 -13.470 -1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.027 -14.176 -0.459 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.403 -12.640 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.218 -13.462 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.641 -12.673 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.089 -10.827 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.805 -11.578 -2.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.681 -9.891 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.329 -11.394 -4.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.964 -9.542 -4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -14.420 -10.974 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.816 -9.665 -2.361 1.00 0.00 H new ATOM 610 N THR A 41 -11.056 -14.610 1.805 1.00 0.00 N ATOM 611 CA THR A 41 -10.682 -14.588 3.214 1.00 0.00 C ATOM 612 C THR A 41 -9.506 -15.519 3.486 1.00 0.00 C ATOM 613 O THR A 41 -8.534 -15.134 4.136 1.00 0.00 O ATOM 614 CB THR A 41 -11.864 -14.996 4.115 1.00 0.00 C ATOM 615 OG1 THR A 41 -11.498 -14.863 5.493 1.00 0.00 O ATOM 616 CG2 THR A 41 -12.288 -16.430 3.834 1.00 0.00 C ATOM 0 H THR A 41 -11.856 -15.205 1.590 1.00 0.00 H new ATOM 0 HA THR A 41 -10.392 -13.564 3.448 1.00 0.00 H new ATOM 0 HB THR A 41 -12.704 -14.336 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.255 -15.123 6.059 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.124 -16.696 4.482 1.00 0.00 H new ATOM 0 HG22 THR A 41 -12.593 -16.522 2.792 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.451 -17.101 4.027 1.00 0.00 H new ATOM 624 N CYS A 42 -9.600 -16.745 2.982 1.00 0.00 N ATOM 625 CA CYS A 42 -8.543 -17.732 3.170 1.00 0.00 C ATOM 626 C CYS A 42 -7.351 -17.431 2.266 1.00 0.00 C ATOM 627 O CYS A 42 -7.451 -16.634 1.333 1.00 0.00 O ATOM 628 CB CYS A 42 -9.073 -19.138 2.883 1.00 0.00 C ATOM 629 SG CYS A 42 -10.762 -19.436 3.496 1.00 0.00 S ATOM 0 H CYS A 42 -10.397 -17.079 2.440 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.212 -17.681 4.207 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.053 -19.309 1.807 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.400 -19.867 3.334 1.00 0.00 H new ATOM 0 HG CYS A 42 -10.748 -20.419 4.347 1.00 0.00 H new ATOM 634 N ASP A 43 -6.223 -18.074 2.550 1.00 0.00 N ATOM 635 CA ASP A 43 -5.012 -17.877 1.763 1.00 0.00 C ATOM 636 C ASP A 43 -4.681 -19.126 0.952 1.00 0.00 C ATOM 637 O ASP A 43 -3.512 -19.440 0.725 1.00 0.00 O ATOM 638 CB ASP A 43 -3.838 -17.520 2.675 1.00 0.00 C ATOM 639 CG ASP A 43 -2.746 -16.764 1.944 1.00 0.00 C ATOM 640 OD1 ASP A 43 -1.900 -17.419 1.300 1.00 0.00 O ATOM 641 OD2 ASP A 43 -2.736 -15.517 2.016 1.00 0.00 O ATOM 0 H ASP A 43 -6.123 -18.736 3.320 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.188 -17.053 1.071 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.199 -16.916 3.508 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.421 -18.433 3.100 1.00 0.00 H new ATOM 646 N TYR A 44 -5.717 -19.837 0.521 1.00 0.00 N ATOM 647 CA TYR A 44 -5.536 -21.054 -0.261 1.00 0.00 C ATOM 648 C TYR A 44 -5.411 -20.734 -1.747 1.00 0.00 C ATOM 649 O TYR A 44 -5.969 -19.750 -2.231 1.00 0.00 O ATOM 650 CB TYR A 44 -6.707 -22.011 -0.032 1.00 0.00 C ATOM 651 CG TYR A 44 -6.840 -23.073 -1.100 1.00 0.00 C ATOM 652 CD1 TYR A 44 -5.920 -24.109 -1.196 1.00 0.00 C ATOM 653 CD2 TYR A 44 -7.887 -23.040 -2.013 1.00 0.00 C ATOM 654 CE1 TYR A 44 -6.037 -25.081 -2.171 1.00 0.00 C ATOM 655 CE2 TYR A 44 -8.013 -24.008 -2.990 1.00 0.00 C ATOM 656 CZ TYR A 44 -7.085 -25.026 -3.065 1.00 0.00 C ATOM 657 OH TYR A 44 -7.206 -25.993 -4.037 1.00 0.00 O ATOM 0 H TYR A 44 -6.691 -19.591 0.700 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.614 -21.532 0.068 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.585 -22.495 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -7.632 -21.436 0.013 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.099 -24.156 -0.496 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.615 -22.244 -1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -5.312 -25.879 -2.232 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.833 -23.968 -3.691 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.831 -26.836 -3.708 1.00 0.00 H new ATOM 667 N ALA A 45 -4.673 -21.573 -2.467 1.00 0.00 N ATOM 668 CA ALA A 45 -4.475 -21.382 -3.898 1.00 0.00 C ATOM 669 C ALA A 45 -4.998 -22.577 -4.689 1.00 0.00 C ATOM 670 O ALA A 45 -4.838 -23.725 -4.276 1.00 0.00 O ATOM 671 CB ALA A 45 -3.003 -21.150 -4.201 1.00 0.00 C ATOM 0 H ALA A 45 -4.202 -22.392 -2.082 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.040 -20.502 -4.203 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.870 -21.009 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.658 -20.261 -3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.424 -22.014 -3.874 1.00 0.00 H new ATOM 677 N ALA A 46 -5.625 -22.299 -5.827 1.00 0.00 N ATOM 678 CA ALA A 46 -6.171 -23.351 -6.676 1.00 0.00 C ATOM 679 C ALA A 46 -5.506 -23.349 -8.048 1.00 0.00 C ATOM 680 O ALA A 46 -5.312 -22.295 -8.653 1.00 0.00 O ATOM 681 CB ALA A 46 -7.677 -23.188 -6.816 1.00 0.00 C ATOM 0 H ALA A 46 -5.768 -21.354 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.964 -24.311 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.071 -23.980 -7.452 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.142 -23.248 -5.832 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.898 -22.219 -7.264 1.00 0.00 H new ATOM 687 N ALA A 47 -5.158 -24.536 -8.534 1.00 0.00 N ATOM 688 CA ALA A 47 -4.516 -24.671 -9.835 1.00 0.00 C ATOM 689 C ALA A 47 -5.482 -24.321 -10.962 1.00 0.00 C ATOM 690 O ALA A 47 -5.081 -23.771 -11.988 1.00 0.00 O ATOM 691 CB ALA A 47 -3.980 -26.083 -10.016 1.00 0.00 C ATOM 0 H ALA A 47 -5.310 -25.418 -8.046 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.682 -23.970 -9.875 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.503 -26.169 -10.992 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.250 -26.298 -9.236 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.802 -26.796 -9.950 1.00 0.00 H new ATOM 697 N ASP A 48 -6.755 -24.646 -10.766 1.00 0.00 N ATOM 698 CA ASP A 48 -7.778 -24.366 -11.766 1.00 0.00 C ATOM 699 C ASP A 48 -9.085 -23.942 -11.103 1.00 0.00 C ATOM 700 O ASP A 48 -9.230 -24.027 -9.883 1.00 0.00 O ATOM 701 CB ASP A 48 -8.013 -25.596 -12.645 1.00 0.00 C ATOM 702 CG ASP A 48 -8.986 -25.323 -13.775 1.00 0.00 C ATOM 703 OD1 ASP A 48 -8.789 -24.324 -14.499 1.00 0.00 O ATOM 704 OD2 ASP A 48 -9.943 -26.108 -13.937 1.00 0.00 O ATOM 0 H ASP A 48 -7.103 -25.104 -9.923 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.425 -23.545 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -7.062 -25.929 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.395 -26.411 -12.030 1.00 0.00 H new ATOM 709 N SER A 49 -10.034 -23.485 -11.914 1.00 0.00 N ATOM 710 CA SER A 49 -11.327 -23.043 -11.405 1.00 0.00 C ATOM 711 C SER A 49 -11.951 -24.109 -10.510 1.00 0.00 C ATOM 712 O SER A 49 -12.065 -23.927 -9.297 1.00 0.00 O ATOM 713 CB SER A 49 -12.271 -22.719 -12.565 1.00 0.00 C ATOM 714 OG SER A 49 -12.405 -23.827 -13.439 1.00 0.00 O ATOM 0 H SER A 49 -9.932 -23.411 -12.926 1.00 0.00 H new ATOM 0 HA SER A 49 -11.168 -22.142 -10.812 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.250 -22.440 -12.174 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.891 -21.860 -13.118 1.00 0.00 H new ATOM 0 HG SER A 49 -13.014 -23.595 -14.171 1.00 0.00 H new ATOM 720 N SER A 50 -12.353 -25.222 -11.116 1.00 0.00 N ATOM 721 CA SER A 50 -12.970 -26.316 -10.375 1.00 0.00 C ATOM 722 C SER A 50 -12.332 -26.466 -8.997 1.00 0.00 C ATOM 723 O SER A 50 -13.009 -26.374 -7.974 1.00 0.00 O ATOM 724 CB SER A 50 -12.839 -27.625 -11.155 1.00 0.00 C ATOM 725 OG SER A 50 -11.484 -27.903 -11.463 1.00 0.00 O ATOM 0 H SER A 50 -12.262 -25.390 -12.118 1.00 0.00 H new ATOM 0 HA SER A 50 -14.027 -26.083 -10.244 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.257 -28.444 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.419 -27.563 -12.076 1.00 0.00 H new ATOM 0 HG SER A 50 -11.428 -28.746 -11.960 1.00 0.00 H new ATOM 731 N SER A 51 -11.023 -26.698 -8.980 1.00 0.00 N ATOM 732 CA SER A 51 -10.292 -26.865 -7.729 1.00 0.00 C ATOM 733 C SER A 51 -10.781 -25.873 -6.678 1.00 0.00 C ATOM 734 O SER A 51 -11.095 -26.251 -5.548 1.00 0.00 O ATOM 735 CB SER A 51 -8.792 -26.681 -7.962 1.00 0.00 C ATOM 736 OG SER A 51 -8.046 -27.083 -6.826 1.00 0.00 O ATOM 0 H SER A 51 -10.447 -26.775 -9.818 1.00 0.00 H new ATOM 0 HA SER A 51 -10.474 -27.875 -7.362 1.00 0.00 H new ATOM 0 HB2 SER A 51 -8.481 -27.263 -8.829 1.00 0.00 H new ATOM 0 HB3 SER A 51 -8.581 -25.636 -8.188 1.00 0.00 H new ATOM 0 HG SER A 51 -8.046 -26.361 -6.163 1.00 0.00 H new ATOM 742 N LEU A 52 -10.843 -24.601 -7.057 1.00 0.00 N ATOM 743 CA LEU A 52 -11.293 -23.553 -6.149 1.00 0.00 C ATOM 744 C LEU A 52 -12.777 -23.707 -5.832 1.00 0.00 C ATOM 745 O LEU A 52 -13.191 -23.594 -4.679 1.00 0.00 O ATOM 746 CB LEU A 52 -11.032 -22.175 -6.759 1.00 0.00 C ATOM 747 CG LEU A 52 -11.249 -20.978 -5.832 1.00 0.00 C ATOM 748 CD1 LEU A 52 -10.003 -20.713 -5.002 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.629 -19.743 -6.636 1.00 0.00 C ATOM 0 H LEU A 52 -10.587 -24.271 -7.988 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.730 -23.646 -5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.004 -22.148 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.678 -22.057 -7.629 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.069 -21.212 -5.154 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.176 -19.858 -4.349 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.775 -21.591 -4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.164 -20.500 -5.664 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.780 -18.901 -5.960 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.830 -19.506 -7.338 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.550 -19.936 -7.186 1.00 0.00 H new ATOM 761 N ASN A 53 -13.574 -23.968 -6.863 1.00 0.00 N ATOM 762 CA ASN A 53 -15.012 -24.141 -6.694 1.00 0.00 C ATOM 763 C ASN A 53 -15.313 -25.169 -5.609 1.00 0.00 C ATOM 764 O ASN A 53 -16.346 -25.101 -4.942 1.00 0.00 O ATOM 765 CB ASN A 53 -15.653 -24.573 -8.015 1.00 0.00 C ATOM 766 CG ASN A 53 -16.078 -23.391 -8.865 1.00 0.00 C ATOM 767 OD1 ASN A 53 -17.010 -22.666 -8.518 1.00 0.00 O ATOM 768 ND2 ASN A 53 -15.394 -23.194 -9.986 1.00 0.00 N ATOM 0 H ASN A 53 -13.248 -24.064 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.435 -23.184 -6.389 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.946 -25.185 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.521 -25.198 -7.807 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.634 -22.415 -10.600 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.629 -23.821 -10.233 1.00 0.00 H new ATOM 775 N LYS A 54 -14.403 -26.123 -5.436 1.00 0.00 N ATOM 776 CA LYS A 54 -14.569 -27.166 -4.431 1.00 0.00 C ATOM 777 C LYS A 54 -14.189 -26.651 -3.046 1.00 0.00 C ATOM 778 O LYS A 54 -14.681 -27.148 -2.032 1.00 0.00 O ATOM 779 CB LYS A 54 -13.715 -28.385 -4.786 1.00 0.00 C ATOM 780 CG LYS A 54 -13.928 -29.568 -3.858 1.00 0.00 C ATOM 781 CD LYS A 54 -13.002 -30.722 -4.203 1.00 0.00 C ATOM 782 CE LYS A 54 -11.687 -30.628 -3.445 1.00 0.00 C ATOM 783 NZ LYS A 54 -10.675 -31.589 -3.966 1.00 0.00 N ATOM 0 H LYS A 54 -13.543 -26.195 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.619 -27.458 -4.415 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.940 -28.690 -5.808 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -12.663 -28.100 -4.763 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.756 -29.258 -2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.964 -29.900 -3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.492 -31.666 -3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.806 -30.724 -5.275 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.296 -29.613 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.863 -30.824 -2.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.793 -31.493 -3.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.037 -32.559 -3.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.488 -31.386 -4.969 1.00 0.00 H new ATOM 797 N HIS A 55 -13.312 -25.653 -3.010 1.00 0.00 N ATOM 798 CA HIS A 55 -12.868 -25.070 -1.749 1.00 0.00 C ATOM 799 C HIS A 55 -14.001 -24.302 -1.077 1.00 0.00 C ATOM 800 O HIS A 55 -14.119 -24.294 0.149 1.00 0.00 O ATOM 801 CB HIS A 55 -11.676 -24.142 -1.984 1.00 0.00 C ATOM 802 CG HIS A 55 -11.247 -23.396 -0.758 1.00 0.00 C ATOM 803 ND1 HIS A 55 -10.628 -24.003 0.315 1.00 0.00 N ATOM 804 CD2 HIS A 55 -11.350 -22.085 -0.438 1.00 0.00 C ATOM 805 CE1 HIS A 55 -10.370 -23.098 1.241 1.00 0.00 C ATOM 806 NE2 HIS A 55 -10.798 -21.925 0.809 1.00 0.00 N ATOM 0 H HIS A 55 -12.895 -25.231 -3.840 1.00 0.00 H new ATOM 0 HA HIS A 55 -12.562 -25.882 -1.089 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.836 -24.730 -2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.932 -23.425 -2.764 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.785 -21.309 -1.050 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.890 -23.285 2.191 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.730 -21.044 1.319 1.00 0.00 H new ATOM 814 N LEU A 56 -14.834 -23.656 -1.887 1.00 0.00 N ATOM 815 CA LEU A 56 -15.958 -22.883 -1.370 1.00 0.00 C ATOM 816 C LEU A 56 -16.937 -23.781 -0.621 1.00 0.00 C ATOM 817 O LEU A 56 -17.593 -23.346 0.326 1.00 0.00 O ATOM 818 CB LEU A 56 -16.678 -22.167 -2.514 1.00 0.00 C ATOM 819 CG LEU A 56 -15.800 -21.315 -3.431 1.00 0.00 C ATOM 820 CD1 LEU A 56 -16.597 -20.829 -4.632 1.00 0.00 C ATOM 821 CD2 LEU A 56 -15.215 -20.137 -2.665 1.00 0.00 C ATOM 0 H LEU A 56 -14.752 -23.652 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 56 -15.568 -22.141 -0.673 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -17.185 -22.916 -3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -17.450 -21.527 -2.087 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.978 -21.933 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -15.956 -20.224 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -16.968 -21.686 -5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -17.439 -20.228 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.593 -19.541 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -16.024 -19.519 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -14.609 -20.506 -1.838 1.00 0.00 H new ATOM 833 N ARG A 57 -17.029 -25.036 -1.049 1.00 0.00 N ATOM 834 CA ARG A 57 -17.927 -25.995 -0.418 1.00 0.00 C ATOM 835 C ARG A 57 -17.487 -26.291 1.013 1.00 0.00 C ATOM 836 O ARG A 57 -18.284 -26.205 1.948 1.00 0.00 O ATOM 837 CB ARG A 57 -17.972 -27.293 -1.227 1.00 0.00 C ATOM 838 CG ARG A 57 -18.820 -27.196 -2.485 1.00 0.00 C ATOM 839 CD ARG A 57 -19.235 -28.571 -2.984 1.00 0.00 C ATOM 840 NE ARG A 57 -18.261 -29.133 -3.916 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.550 -30.084 -4.797 1.00 0.00 C ATOM 842 NH1 ARG A 57 -19.779 -30.576 -4.867 1.00 0.00 N ATOM 843 NH2 ARG A 57 -17.609 -30.544 -5.612 1.00 0.00 N ATOM 0 H ARG A 57 -16.492 -25.412 -1.831 1.00 0.00 H new ATOM 0 HA ARG A 57 -18.925 -25.557 -0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.956 -27.574 -1.504 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.363 -28.091 -0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.708 -26.598 -2.281 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.260 -26.679 -3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -19.354 -29.244 -2.135 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.206 -28.501 -3.474 1.00 0.00 H new ATOM 0 HE ARG A 57 -17.306 -28.775 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -20.505 -30.224 -4.243 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.998 -31.306 -5.545 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.662 -30.167 -5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.832 -31.274 -6.288 1.00 0.00 H new ATOM 857 N ILE A 58 -16.215 -26.640 1.176 1.00 0.00 N ATOM 858 CA ILE A 58 -15.671 -26.948 2.492 1.00 0.00 C ATOM 859 C ILE A 58 -16.167 -25.956 3.538 1.00 0.00 C ATOM 860 O ILE A 58 -16.284 -26.288 4.718 1.00 0.00 O ATOM 861 CB ILE A 58 -14.131 -26.936 2.481 1.00 0.00 C ATOM 862 CG1 ILE A 58 -13.607 -25.528 2.771 1.00 0.00 C ATOM 863 CG2 ILE A 58 -13.607 -27.437 1.143 1.00 0.00 C ATOM 864 CD1 ILE A 58 -13.386 -25.256 4.242 1.00 0.00 C ATOM 0 H ILE A 58 -15.542 -26.716 0.413 1.00 0.00 H new ATOM 0 HA ILE A 58 -16.018 -27.949 2.750 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.772 -27.605 3.263 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.668 -25.382 2.238 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -14.314 -24.798 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -12.517 -27.423 1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -13.955 -28.456 0.974 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -13.973 -26.792 0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.014 -24.240 4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -14.328 -25.370 4.779 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.656 -25.963 4.637 1.00 0.00 H new ATOM 876 N HIS A 59 -16.461 -24.736 3.098 1.00 0.00 N ATOM 877 CA HIS A 59 -16.948 -23.696 3.996 1.00 0.00 C ATOM 878 C HIS A 59 -18.363 -24.010 4.475 1.00 0.00 C ATOM 879 O HIS A 59 -18.989 -24.961 4.009 1.00 0.00 O ATOM 880 CB HIS A 59 -16.925 -22.337 3.296 1.00 0.00 C ATOM 881 CG HIS A 59 -15.543 -21.827 3.024 1.00 0.00 C ATOM 882 ND1 HIS A 59 -14.469 -22.088 3.848 1.00 0.00 N ATOM 883 CD2 HIS A 59 -15.063 -21.069 2.010 1.00 0.00 C ATOM 884 CE1 HIS A 59 -13.388 -21.511 3.354 1.00 0.00 C ATOM 885 NE2 HIS A 59 -13.721 -20.887 2.239 1.00 0.00 N ATOM 0 H HIS A 59 -16.370 -24.444 2.125 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.289 -23.662 4.863 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -17.467 -22.414 2.354 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -17.457 -21.611 3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.629 -20.680 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.400 -21.544 3.788 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -13.085 -20.356 1.644 1.00 0.00 H new ATOM 955 N PRO A 64 -27.283 -19.243 -0.122 1.00 0.00 N ATOM 956 CA PRO A 64 -28.642 -19.405 -0.648 1.00 0.00 C ATOM 957 C PRO A 64 -29.003 -18.328 -1.665 1.00 0.00 C ATOM 958 O PRO A 64 -29.930 -18.495 -2.459 1.00 0.00 O ATOM 959 CB PRO A 64 -29.522 -19.279 0.599 1.00 0.00 C ATOM 960 CG PRO A 64 -28.716 -18.464 1.550 1.00 0.00 C ATOM 961 CD PRO A 64 -27.279 -18.824 1.289 1.00 0.00 C ATOM 0 HA PRO A 64 -28.763 -20.349 -1.179 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -30.470 -18.794 0.367 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -29.758 -20.257 1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -28.886 -17.399 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -28.992 -18.682 2.582 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -26.616 -17.975 1.454 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -26.940 -19.626 1.945 1.00 0.00 H new ATOM 969 N PHE A 65 -28.264 -17.224 -1.638 1.00 0.00 N ATOM 970 CA PHE A 65 -28.507 -16.119 -2.558 1.00 0.00 C ATOM 971 C PHE A 65 -27.801 -16.356 -3.890 1.00 0.00 C ATOM 972 O PHE A 65 -26.655 -16.804 -3.928 1.00 0.00 O ATOM 973 CB PHE A 65 -28.031 -14.801 -1.943 1.00 0.00 C ATOM 974 CG PHE A 65 -28.860 -14.352 -0.774 1.00 0.00 C ATOM 975 CD1 PHE A 65 -30.159 -13.906 -0.959 1.00 0.00 C ATOM 976 CD2 PHE A 65 -28.340 -14.376 0.510 1.00 0.00 C ATOM 977 CE1 PHE A 65 -30.923 -13.491 0.116 1.00 0.00 C ATOM 978 CE2 PHE A 65 -29.100 -13.963 1.589 1.00 0.00 C ATOM 979 CZ PHE A 65 -30.393 -13.521 1.391 1.00 0.00 C ATOM 0 H PHE A 65 -27.492 -17.071 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 65 -29.580 -16.060 -2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -26.995 -14.912 -1.623 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -28.046 -14.025 -2.709 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -30.579 -13.882 -1.954 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -27.329 -14.721 0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -31.933 -13.144 -0.041 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -28.683 -13.986 2.585 1.00 0.00 H new ATOM 0 HZ PHE A 65 -30.989 -13.199 2.232 1.00 0.00 H new ATOM 989 N LYS A 66 -28.494 -16.052 -4.982 1.00 0.00 N ATOM 990 CA LYS A 66 -27.936 -16.230 -6.318 1.00 0.00 C ATOM 991 C LYS A 66 -28.159 -14.985 -7.171 1.00 0.00 C ATOM 992 O LYS A 66 -29.057 -14.188 -6.901 1.00 0.00 O ATOM 993 CB LYS A 66 -28.566 -17.447 -6.998 1.00 0.00 C ATOM 994 CG LYS A 66 -28.447 -18.726 -6.188 1.00 0.00 C ATOM 995 CD LYS A 66 -27.045 -19.306 -6.263 1.00 0.00 C ATOM 996 CE LYS A 66 -26.758 -20.225 -5.085 1.00 0.00 C ATOM 997 NZ LYS A 66 -25.568 -21.086 -5.331 1.00 0.00 N ATOM 0 H LYS A 66 -29.444 -15.681 -4.968 1.00 0.00 H new ATOM 0 HA LYS A 66 -26.863 -16.393 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -29.620 -17.243 -7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -28.092 -17.596 -7.968 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -28.703 -18.524 -5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -29.165 -19.459 -6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -26.929 -19.860 -7.195 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -26.316 -18.496 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -26.594 -19.627 -4.189 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -27.628 -20.853 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -25.812 -22.079 -5.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -25.268 -20.988 -6.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -24.792 -20.793 -4.704 1.00 0.00 H new ATOM 1011 N CYS A 67 -27.336 -14.825 -8.202 1.00 0.00 N ATOM 1012 CA CYS A 67 -27.443 -13.679 -9.096 1.00 0.00 C ATOM 1013 C CYS A 67 -28.186 -14.054 -10.376 1.00 0.00 C ATOM 1014 O CYS A 67 -28.130 -15.199 -10.823 1.00 0.00 O ATOM 1015 CB CYS A 67 -26.053 -13.141 -9.439 1.00 0.00 C ATOM 1016 SG CYS A 67 -26.028 -11.991 -10.852 1.00 0.00 S ATOM 0 H CYS A 67 -26.587 -15.476 -8.439 1.00 0.00 H new ATOM 0 HA CYS A 67 -28.009 -12.902 -8.583 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -25.646 -12.634 -8.564 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -25.393 -13.981 -9.656 1.00 0.00 H new ATOM 0 HG CYS A 67 -24.921 -11.310 -10.838 1.00 0.00 H new ATOM 1021 N GLN A 68 -28.879 -13.081 -10.958 1.00 0.00 N ATOM 1022 CA GLN A 68 -29.633 -13.310 -12.185 1.00 0.00 C ATOM 1023 C GLN A 68 -28.694 -13.513 -13.370 1.00 0.00 C ATOM 1024 O GLN A 68 -28.742 -14.543 -14.043 1.00 0.00 O ATOM 1025 CB GLN A 68 -30.572 -12.134 -12.458 1.00 0.00 C ATOM 1026 CG GLN A 68 -31.913 -12.250 -11.754 1.00 0.00 C ATOM 1027 CD GLN A 68 -32.843 -13.240 -12.428 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -33.106 -14.321 -11.901 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -33.347 -12.874 -13.601 1.00 0.00 N ATOM 0 H GLN A 68 -28.934 -12.127 -10.600 1.00 0.00 H new ATOM 0 HA GLN A 68 -30.225 -14.216 -12.055 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -30.085 -11.211 -12.144 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -30.741 -12.056 -13.532 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -31.751 -12.555 -10.720 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -32.390 -11.270 -11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -33.102 -11.968 -14.001 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -33.979 -13.499 -14.102 1.00 0.00 H new ATOM 1038 N ILE A 69 -27.843 -12.524 -13.620 1.00 0.00 N ATOM 1039 CA ILE A 69 -26.893 -12.595 -14.724 1.00 0.00 C ATOM 1040 C ILE A 69 -26.028 -13.847 -14.625 1.00 0.00 C ATOM 1041 O ILE A 69 -26.091 -14.728 -15.483 1.00 0.00 O ATOM 1042 CB ILE A 69 -25.980 -11.355 -14.761 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -26.785 -10.113 -15.150 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -24.830 -11.574 -15.733 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -27.193 -9.263 -13.967 1.00 0.00 C ATOM 0 H ILE A 69 -27.792 -11.664 -13.074 1.00 0.00 H new ATOM 0 HA ILE A 69 -27.478 -12.633 -15.643 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.564 -11.198 -13.766 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -26.194 -9.507 -15.836 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.680 -10.424 -15.690 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -24.193 -10.689 -15.749 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -24.245 -12.437 -15.416 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -25.227 -11.753 -16.732 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -27.760 -8.400 -14.317 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -27.811 -9.853 -13.291 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -26.302 -8.922 -13.440 1.00 0.00 H new ATOM 1057 N CYS A 70 -25.221 -13.920 -13.572 1.00 0.00 N ATOM 1058 CA CYS A 70 -24.343 -15.064 -13.358 1.00 0.00 C ATOM 1059 C CYS A 70 -24.845 -15.927 -12.204 1.00 0.00 C ATOM 1060 O CYS A 70 -25.521 -15.454 -11.291 1.00 0.00 O ATOM 1061 CB CYS A 70 -22.916 -14.593 -13.073 1.00 0.00 C ATOM 1062 SG CYS A 70 -22.734 -13.676 -11.510 1.00 0.00 S ATOM 0 H CYS A 70 -25.157 -13.200 -12.853 1.00 0.00 H new ATOM 0 HA CYS A 70 -24.345 -15.666 -14.267 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -22.256 -15.460 -13.052 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -22.583 -13.959 -13.895 1.00 0.00 H new ATOM 0 HG CYS A 70 -23.842 -13.051 -11.242 1.00 0.00 H new ATOM 1067 N PRO A 71 -24.508 -17.225 -12.246 1.00 0.00 N ATOM 1068 CA PRO A 71 -24.914 -18.182 -11.212 1.00 0.00 C ATOM 1069 C PRO A 71 -24.201 -17.938 -9.886 1.00 0.00 C ATOM 1070 O PRO A 71 -24.368 -18.698 -8.932 1.00 0.00 O ATOM 1071 CB PRO A 71 -24.503 -19.534 -11.799 1.00 0.00 C ATOM 1072 CG PRO A 71 -23.393 -19.217 -12.741 1.00 0.00 C ATOM 1073 CD PRO A 71 -23.705 -17.858 -13.305 1.00 0.00 C ATOM 0 HA PRO A 71 -25.977 -18.108 -10.982 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -24.176 -20.221 -11.019 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -25.336 -20.011 -12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -22.432 -19.215 -12.226 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -23.328 -19.963 -13.533 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -22.797 -17.292 -13.514 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -24.259 -17.929 -14.241 1.00 0.00 H new ATOM 1081 N TYR A 72 -23.408 -16.874 -9.832 1.00 0.00 N ATOM 1082 CA TYR A 72 -22.669 -16.531 -8.623 1.00 0.00 C ATOM 1083 C TYR A 72 -23.551 -16.675 -7.387 1.00 0.00 C ATOM 1084 O TYR A 72 -24.768 -16.820 -7.492 1.00 0.00 O ATOM 1085 CB TYR A 72 -22.131 -15.103 -8.717 1.00 0.00 C ATOM 1086 CG TYR A 72 -21.572 -14.579 -7.413 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -20.312 -14.962 -6.971 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -22.305 -13.703 -6.622 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -19.798 -14.487 -5.779 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -21.799 -13.222 -5.430 1.00 0.00 C ATOM 1091 CZ TYR A 72 -20.545 -13.617 -5.013 1.00 0.00 C ATOM 1092 OH TYR A 72 -20.037 -13.141 -3.826 1.00 0.00 O ATOM 0 H TYR A 72 -23.260 -16.234 -10.612 1.00 0.00 H new ATOM 0 HA TYR A 72 -21.831 -17.222 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -21.351 -15.067 -9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -22.932 -14.443 -9.050 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -19.724 -15.643 -7.569 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -23.288 -13.393 -6.945 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -18.817 -14.796 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -22.382 -12.541 -4.828 1.00 0.00 H new ATOM 0 HH TYR A 72 -20.397 -12.247 -3.651 1.00 0.00 H new ATOM 1102 N ALA A 73 -22.926 -16.633 -6.214 1.00 0.00 N ATOM 1103 CA ALA A 73 -23.652 -16.755 -4.957 1.00 0.00 C ATOM 1104 C ALA A 73 -22.858 -16.152 -3.803 1.00 0.00 C ATOM 1105 O ALA A 73 -21.627 -16.157 -3.815 1.00 0.00 O ATOM 1106 CB ALA A 73 -23.974 -18.215 -4.673 1.00 0.00 C ATOM 0 H ALA A 73 -21.918 -16.515 -6.109 1.00 0.00 H new ATOM 0 HA ALA A 73 -24.585 -16.200 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.517 -18.291 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -24.589 -18.615 -5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.048 -18.785 -4.605 1.00 0.00 H new ATOM 1112 N SER A 74 -23.570 -15.633 -2.808 1.00 0.00 N ATOM 1113 CA SER A 74 -22.931 -15.022 -1.648 1.00 0.00 C ATOM 1114 C SER A 74 -23.756 -15.257 -0.387 1.00 0.00 C ATOM 1115 O SER A 74 -24.969 -15.050 -0.378 1.00 0.00 O ATOM 1116 CB SER A 74 -22.742 -13.521 -1.875 1.00 0.00 C ATOM 1117 OG SER A 74 -23.989 -12.871 -2.055 1.00 0.00 O ATOM 0 H SER A 74 -24.590 -15.623 -2.782 1.00 0.00 H new ATOM 0 HA SER A 74 -21.955 -15.488 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 74 -22.220 -13.084 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 74 -22.114 -13.359 -2.751 1.00 0.00 H new ATOM 0 HG SER A 74 -24.293 -12.503 -1.199 1.00 0.00 H new ATOM 1123 N ARG A 75 -23.088 -15.691 0.677 1.00 0.00 N ATOM 1124 CA ARG A 75 -23.758 -15.956 1.944 1.00 0.00 C ATOM 1125 C ARG A 75 -24.548 -14.736 2.407 1.00 0.00 C ATOM 1126 O ARG A 75 -25.756 -14.814 2.627 1.00 0.00 O ATOM 1127 CB ARG A 75 -22.737 -16.351 3.013 1.00 0.00 C ATOM 1128 CG ARG A 75 -23.340 -17.121 4.177 1.00 0.00 C ATOM 1129 CD ARG A 75 -24.182 -16.219 5.065 1.00 0.00 C ATOM 1130 NE ARG A 75 -24.344 -16.769 6.408 1.00 0.00 N ATOM 1131 CZ ARG A 75 -25.268 -16.353 7.266 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -26.109 -15.388 6.923 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -25.352 -16.904 8.471 1.00 0.00 N ATOM 0 H ARG A 75 -22.083 -15.866 0.686 1.00 0.00 H new ATOM 0 HA ARG A 75 -24.453 -16.782 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -21.957 -16.958 2.552 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -22.256 -15.450 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -23.956 -17.936 3.796 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -22.543 -17.573 4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -23.715 -15.236 5.130 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -25.163 -16.077 4.611 1.00 0.00 H new ATOM 0 HE ARG A 75 -23.713 -17.514 6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -26.047 -14.963 5.998 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -26.818 -15.070 7.584 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -24.707 -17.647 8.738 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -26.062 -16.584 9.130 1.00 0.00 H new ATOM 1147 N ASN A 76 -23.857 -13.610 2.553 1.00 0.00 N ATOM 1148 CA ASN A 76 -24.495 -12.373 2.990 1.00 0.00 C ATOM 1149 C ASN A 76 -25.224 -11.699 1.833 1.00 0.00 C ATOM 1150 O ASN A 76 -24.795 -11.781 0.682 1.00 0.00 O ATOM 1151 CB ASN A 76 -23.453 -11.418 3.577 1.00 0.00 C ATOM 1152 CG ASN A 76 -24.075 -10.363 4.470 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -24.968 -9.560 3.904 1.00 0.00 O flip ATOM 1154 ND2 ASN A 76 -23.756 -10.271 5.656 1.00 0.00 N flip ATOM 0 H ASN A 76 -22.856 -13.528 2.375 1.00 0.00 H new ATOM 0 HA ASN A 76 -25.225 -12.622 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -22.722 -11.989 4.149 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -22.913 -10.931 2.765 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -23.065 -10.910 6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -24.183 -9.556 6.245 1.00 0.00 H new ATOM 1161 N SER A 77 -26.330 -11.031 2.146 1.00 0.00 N ATOM 1162 CA SER A 77 -27.122 -10.344 1.133 1.00 0.00 C ATOM 1163 C SER A 77 -26.320 -9.219 0.487 1.00 0.00 C ATOM 1164 O SER A 77 -26.056 -9.241 -0.715 1.00 0.00 O ATOM 1165 CB SER A 77 -28.404 -9.783 1.751 1.00 0.00 C ATOM 1166 OG SER A 77 -29.118 -8.994 0.815 1.00 0.00 O ATOM 0 H SER A 77 -26.698 -10.951 3.094 1.00 0.00 H new ATOM 0 HA SER A 77 -27.386 -11.067 0.362 1.00 0.00 H new ATOM 0 HB2 SER A 77 -29.034 -10.603 2.096 1.00 0.00 H new ATOM 0 HB3 SER A 77 -28.157 -9.181 2.625 1.00 0.00 H new ATOM 0 HG SER A 77 -29.934 -8.648 1.233 1.00 0.00 H new ATOM 1172 N SER A 78 -25.935 -8.236 1.295 1.00 0.00 N ATOM 1173 CA SER A 78 -25.166 -7.099 0.803 1.00 0.00 C ATOM 1174 C SER A 78 -24.222 -7.525 -0.317 1.00 0.00 C ATOM 1175 O SER A 78 -24.253 -6.969 -1.414 1.00 0.00 O ATOM 1176 CB SER A 78 -24.369 -6.464 1.943 1.00 0.00 C ATOM 1177 OG SER A 78 -25.145 -5.499 2.633 1.00 0.00 O ATOM 0 H SER A 78 -26.143 -8.204 2.293 1.00 0.00 H new ATOM 0 HA SER A 78 -25.866 -6.364 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 78 -24.043 -7.238 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 78 -23.470 -5.994 1.545 1.00 0.00 H new ATOM 0 HG SER A 78 -24.613 -5.109 3.358 1.00 0.00 H new ATOM 1183 N GLN A 79 -23.384 -8.517 -0.031 1.00 0.00 N ATOM 1184 CA GLN A 79 -22.430 -9.018 -1.013 1.00 0.00 C ATOM 1185 C GLN A 79 -23.051 -9.054 -2.405 1.00 0.00 C ATOM 1186 O GLN A 79 -22.524 -8.462 -3.348 1.00 0.00 O ATOM 1187 CB GLN A 79 -21.947 -10.415 -0.620 1.00 0.00 C ATOM 1188 CG GLN A 79 -20.725 -10.405 0.284 1.00 0.00 C ATOM 1189 CD GLN A 79 -19.439 -10.149 -0.476 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -18.723 -9.186 -0.201 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -19.138 -11.014 -1.438 1.00 0.00 N ATOM 0 H GLN A 79 -23.347 -8.989 0.872 1.00 0.00 H new ATOM 0 HA GLN A 79 -21.577 -8.340 -1.033 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -22.757 -10.942 -0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -21.715 -10.978 -1.524 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -20.850 -9.638 1.048 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -20.653 -11.362 0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -19.761 -11.798 -1.632 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -18.284 -10.894 -1.983 1.00 0.00 H new ATOM 1200 N LEU A 80 -24.173 -9.754 -2.529 1.00 0.00 N ATOM 1201 CA LEU A 80 -24.867 -9.869 -3.807 1.00 0.00 C ATOM 1202 C LEU A 80 -25.310 -8.499 -4.311 1.00 0.00 C ATOM 1203 O LEU A 80 -25.176 -8.187 -5.495 1.00 0.00 O ATOM 1204 CB LEU A 80 -26.079 -10.792 -3.671 1.00 0.00 C ATOM 1205 CG LEU A 80 -26.923 -10.982 -4.932 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -26.225 -11.920 -5.905 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -28.304 -11.512 -4.575 1.00 0.00 C ATOM 0 H LEU A 80 -24.622 -10.251 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 80 -24.174 -10.296 -4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -25.730 -11.770 -3.341 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -26.722 -10.400 -2.883 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.042 -10.013 -5.416 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -26.840 -12.043 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -25.259 -11.500 -6.186 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -26.075 -12.890 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -28.891 -11.641 -5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.205 -12.472 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -28.807 -10.803 -3.917 1.00 0.00 H new ATOM 1219 N THR A 81 -25.837 -7.683 -3.404 1.00 0.00 N ATOM 1220 CA THR A 81 -26.299 -6.346 -3.756 1.00 0.00 C ATOM 1221 C THR A 81 -25.217 -5.567 -4.496 1.00 0.00 C ATOM 1222 O THR A 81 -25.468 -4.988 -5.552 1.00 0.00 O ATOM 1223 CB THR A 81 -26.723 -5.551 -2.506 1.00 0.00 C ATOM 1224 OG1 THR A 81 -27.721 -6.277 -1.780 1.00 0.00 O ATOM 1225 CG2 THR A 81 -27.264 -4.183 -2.893 1.00 0.00 C ATOM 0 H THR A 81 -25.955 -7.924 -2.420 1.00 0.00 H new ATOM 0 HA THR A 81 -27.163 -6.472 -4.408 1.00 0.00 H new ATOM 0 HB THR A 81 -25.845 -5.411 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 81 -27.984 -5.766 -0.986 1.00 0.00 H new ATOM 0 HG21 THR A 81 -27.557 -3.640 -1.994 1.00 0.00 H new ATOM 0 HG22 THR A 81 -26.492 -3.622 -3.420 1.00 0.00 H new ATOM 0 HG23 THR A 81 -28.131 -4.305 -3.542 1.00 0.00 H new ATOM 1233 N VAL A 82 -24.012 -5.558 -3.934 1.00 0.00 N ATOM 1234 CA VAL A 82 -22.891 -4.852 -4.543 1.00 0.00 C ATOM 1235 C VAL A 82 -22.387 -5.584 -5.781 1.00 0.00 C ATOM 1236 O VAL A 82 -22.187 -4.979 -6.835 1.00 0.00 O ATOM 1237 CB VAL A 82 -21.726 -4.687 -3.548 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -20.547 -3.996 -4.217 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -22.181 -3.914 -2.320 1.00 0.00 C ATOM 0 H VAL A 82 -23.787 -6.031 -3.059 1.00 0.00 H new ATOM 0 HA VAL A 82 -23.256 -3.866 -4.832 1.00 0.00 H new ATOM 0 HB VAL A 82 -21.402 -5.677 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -19.734 -3.888 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -20.207 -4.593 -5.063 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -20.854 -3.011 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -21.346 -3.807 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -22.532 -2.927 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -22.991 -4.454 -1.830 1.00 0.00 H new ATOM 1249 N HIS A 83 -22.184 -6.891 -5.648 1.00 0.00 N ATOM 1250 CA HIS A 83 -21.705 -7.707 -6.758 1.00 0.00 C ATOM 1251 C HIS A 83 -22.436 -7.352 -8.049 1.00 0.00 C ATOM 1252 O HIS A 83 -21.824 -7.250 -9.113 1.00 0.00 O ATOM 1253 CB HIS A 83 -21.891 -9.192 -6.444 1.00 0.00 C ATOM 1254 CG HIS A 83 -22.110 -10.038 -7.660 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -21.132 -10.846 -8.202 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -23.204 -10.201 -8.440 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -21.614 -11.467 -9.263 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -22.870 -11.094 -9.429 1.00 0.00 N ATOM 0 H HIS A 83 -22.344 -7.407 -4.783 1.00 0.00 H new ATOM 0 HA HIS A 83 -20.643 -7.503 -6.895 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -21.012 -9.555 -5.912 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -22.741 -9.309 -5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -20.184 -10.948 -7.840 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -24.161 -9.719 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -21.073 -12.162 -9.889 1.00 0.00 H new ATOM 1266 N LEU A 84 -23.747 -7.166 -7.949 1.00 0.00 N ATOM 1267 CA LEU A 84 -24.562 -6.823 -9.109 1.00 0.00 C ATOM 1268 C LEU A 84 -23.958 -5.648 -9.871 1.00 0.00 C ATOM 1269 O LEU A 84 -23.711 -5.736 -11.073 1.00 0.00 O ATOM 1270 CB LEU A 84 -25.988 -6.483 -8.672 1.00 0.00 C ATOM 1271 CG LEU A 84 -26.856 -7.665 -8.237 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -28.031 -7.184 -7.399 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -27.347 -8.442 -9.450 1.00 0.00 C ATOM 0 H LEU A 84 -24.269 -7.247 -7.076 1.00 0.00 H new ATOM 0 HA LEU A 84 -24.588 -7.687 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -25.934 -5.774 -7.846 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -26.488 -5.975 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 84 -26.248 -8.332 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -28.637 -8.038 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -27.659 -6.673 -6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -28.639 -6.496 -7.986 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -27.963 -9.279 -9.121 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -27.938 -7.785 -10.088 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -26.492 -8.819 -10.011 1.00 0.00 H new ATOM 1285 N ARG A 85 -23.721 -4.549 -9.162 1.00 0.00 N ATOM 1286 CA ARG A 85 -23.144 -3.356 -9.771 1.00 0.00 C ATOM 1287 C ARG A 85 -22.126 -3.732 -10.843 1.00 0.00 C ATOM 1288 O ARG A 85 -22.115 -3.157 -11.931 1.00 0.00 O ATOM 1289 CB ARG A 85 -22.480 -2.483 -8.705 1.00 0.00 C ATOM 1290 CG ARG A 85 -23.467 -1.681 -7.873 1.00 0.00 C ATOM 1291 CD ARG A 85 -22.887 -1.322 -6.513 1.00 0.00 C ATOM 1292 NE ARG A 85 -23.662 -0.279 -5.846 1.00 0.00 N ATOM 1293 CZ ARG A 85 -23.444 1.020 -6.015 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -22.481 1.434 -6.827 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -24.192 1.908 -5.373 1.00 0.00 N ATOM 0 H ARG A 85 -23.920 -4.460 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 85 -23.950 -2.792 -10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -21.891 -3.118 -8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -21.785 -1.797 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -23.738 -0.770 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -24.383 -2.256 -7.739 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -22.860 -2.212 -5.884 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -21.857 -0.986 -6.635 1.00 0.00 H new ATOM 0 HE ARG A 85 -24.412 -0.564 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -21.905 0.754 -7.324 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -22.316 2.432 -6.955 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -24.935 1.593 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -24.024 2.906 -5.503 1.00 0.00 H new ATOM 1309 N SER A 86 -21.272 -4.700 -10.528 1.00 0.00 N ATOM 1310 CA SER A 86 -20.246 -5.149 -11.462 1.00 0.00 C ATOM 1311 C SER A 86 -20.828 -5.330 -12.861 1.00 0.00 C ATOM 1312 O SER A 86 -20.260 -4.861 -13.848 1.00 0.00 O ATOM 1313 CB SER A 86 -19.628 -6.464 -10.981 1.00 0.00 C ATOM 1314 OG SER A 86 -18.451 -6.770 -11.707 1.00 0.00 O ATOM 0 H SER A 86 -21.270 -5.189 -9.633 1.00 0.00 H new ATOM 0 HA SER A 86 -19.469 -4.385 -11.505 1.00 0.00 H new ATOM 0 HB2 SER A 86 -19.395 -6.393 -9.918 1.00 0.00 H new ATOM 0 HB3 SER A 86 -20.350 -7.272 -11.096 1.00 0.00 H new ATOM 0 HG SER A 86 -18.075 -7.614 -11.380 1.00 0.00 H new ATOM 1320 N HIS A 87 -21.965 -6.015 -12.938 1.00 0.00 N ATOM 1321 CA HIS A 87 -22.625 -6.259 -14.216 1.00 0.00 C ATOM 1322 C HIS A 87 -23.103 -4.950 -14.838 1.00 0.00 C ATOM 1323 O HIS A 87 -24.258 -4.556 -14.671 1.00 0.00 O ATOM 1324 CB HIS A 87 -23.807 -7.210 -14.030 1.00 0.00 C ATOM 1325 CG HIS A 87 -23.408 -8.578 -13.568 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -22.525 -9.379 -14.261 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -23.775 -9.285 -12.474 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -22.368 -10.520 -13.614 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -23.116 -10.488 -12.526 1.00 0.00 N ATOM 0 H HIS A 87 -22.448 -6.411 -12.131 1.00 0.00 H new ATOM 0 HA HIS A 87 -21.901 -6.719 -14.889 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -24.499 -6.779 -13.307 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -24.345 -7.297 -14.974 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -24.459 -8.963 -11.703 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -21.736 -11.339 -13.922 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -23.192 -11.236 -11.836 1.00 0.00 H new