USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 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 16 HIS : no HE2:sc= -7.83! C(o=-17!,f=-25!) USER MOD Set 1.2: A 64 GLN :FLIP amide:sc= -3.24 F(o=-18!,f=-17) USER MOD Set 1.3: A 68 HIS : no HE2:sc= -6.11! C(o=-17!,f=-17!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 17 GLN : amide:sc= -0.0312 X(o=-0.031,f=-0.39) USER MOD Single : A 18 GLN : amide:sc= -0.633 K(o=-0.63,f=-7.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.245 USER MOD Single : A 37 CYS SG : rot -136:sc= -1.22 USER MOD Single : A 38 HIS : no HD1:sc= -0.0674 X(o=-0.067,f=-0.13) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -20:sc= 0.381 USER MOD Single : A 43 THR OG1 : rot 81:sc= 0.834 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.19 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 179:sc= -4.94! (180deg=-5.09!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HE2:sc= -3.88 K(o=-3.9,f=-5.3!) USER MOD Single : A 60 SER OG : rot -69:sc= 1.26 USER MOD Single : A 67 SER OG : rot 180:sc= -0.358 USER MOD Single : A 69 MET CE :methyl -158:sc= -1.65 (180deg=-2.66) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.773 X(o=-0.77,f=-0.41) USER MOD Single : A 76 GLN : amide:sc= -0.178 X(o=-0.18,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 178:sc= -0.167 (180deg=-0.173) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -6.029 18.017 -0.710 1.00 0.00 N ATOM 99 CA GLY A 10 -6.345 17.560 -2.051 1.00 0.00 C ATOM 100 C GLY A 10 -5.549 16.333 -2.448 1.00 0.00 C ATOM 101 O GLY A 10 -6.096 15.247 -2.640 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.410 17.334 -2.113 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.147 18.363 -2.761 1.00 0.00 H new ATOM 105 N PRO A 11 -4.224 16.498 -2.578 1.00 0.00 N ATOM 106 CA PRO A 11 -3.323 15.406 -2.957 1.00 0.00 C ATOM 107 C PRO A 11 -3.184 14.361 -1.855 1.00 0.00 C ATOM 108 O PRO A 11 -2.872 13.199 -2.122 1.00 0.00 O ATOM 109 CB PRO A 11 -1.987 16.114 -3.194 1.00 0.00 C ATOM 110 CG PRO A 11 -2.059 17.347 -2.362 1.00 0.00 C ATOM 111 CD PRO A 11 -3.504 17.764 -2.364 1.00 0.00 C ATOM 0 HA PRO A 11 -3.690 14.857 -3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.148 15.485 -2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.848 16.355 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.710 17.154 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.425 18.133 -2.773 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.788 18.234 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.713 18.484 -3.155 1.00 0.00 H new ATOM 119 N LEU A 12 -3.416 14.780 -0.616 1.00 0.00 N ATOM 120 CA LEU A 12 -3.316 13.879 0.528 1.00 0.00 C ATOM 121 C LEU A 12 -4.481 12.894 0.547 1.00 0.00 C ATOM 122 O LEU A 12 -4.284 11.690 0.706 1.00 0.00 O ATOM 123 CB LEU A 12 -3.289 14.679 1.831 1.00 0.00 C ATOM 124 CG LEU A 12 -1.997 15.445 2.121 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.269 16.617 3.052 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.950 14.518 2.720 1.00 0.00 C ATOM 0 H LEU A 12 -3.675 15.737 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.388 13.315 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.114 15.391 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.476 13.994 2.658 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.611 15.837 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.339 17.150 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.984 17.294 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.679 16.248 3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.038 15.080 2.920 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.328 14.096 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.733 13.712 2.019 1.00 0.00 H new ATOM 138 N ASN A 13 -5.693 13.414 0.383 1.00 0.00 N ATOM 139 CA ASN A 13 -6.889 12.579 0.381 1.00 0.00 C ATOM 140 C ASN A 13 -6.736 11.414 -0.592 1.00 0.00 C ATOM 141 O ASN A 13 -6.982 10.259 -0.238 1.00 0.00 O ATOM 142 CB ASN A 13 -8.116 13.413 0.007 1.00 0.00 C ATOM 143 CG ASN A 13 -8.762 14.064 1.215 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.208 13.382 2.138 1.00 0.00 O ATOM 145 ND2 ASN A 13 -8.814 15.391 1.213 1.00 0.00 N ATOM 0 H ASN A 13 -5.873 14.409 0.250 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.024 12.176 1.385 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.824 14.184 -0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.846 12.777 -0.493 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -9.236 15.886 1.998 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.431 15.915 0.426 1.00 0.00 H new ATOM 152 N LEU A 14 -6.330 11.723 -1.818 1.00 0.00 N ATOM 153 CA LEU A 14 -6.143 10.701 -2.843 1.00 0.00 C ATOM 154 C LEU A 14 -5.206 9.602 -2.352 1.00 0.00 C ATOM 155 O LEU A 14 -5.290 8.458 -2.796 1.00 0.00 O ATOM 156 CB LEU A 14 -5.586 11.329 -4.121 1.00 0.00 C ATOM 157 CG LEU A 14 -6.618 11.908 -5.090 1.00 0.00 C ATOM 158 CD1 LEU A 14 -5.985 12.972 -5.972 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.230 10.803 -5.940 1.00 0.00 C ATOM 0 H LEU A 14 -6.124 12.673 -2.127 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.114 10.255 -3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.895 12.124 -3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.005 10.574 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.413 12.374 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.735 13.372 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.596 13.777 -5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.170 12.531 -6.546 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.962 11.233 -6.624 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.446 10.308 -6.513 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.721 10.076 -5.293 1.00 0.00 H new ATOM 171 N ALA A 15 -4.316 9.958 -1.431 1.00 0.00 N ATOM 172 CA ALA A 15 -3.366 9.001 -0.877 1.00 0.00 C ATOM 173 C ALA A 15 -3.991 8.206 0.264 1.00 0.00 C ATOM 174 O ALA A 15 -3.508 7.131 0.622 1.00 0.00 O ATOM 175 CB ALA A 15 -2.113 9.719 -0.398 1.00 0.00 C ATOM 0 H ALA A 15 -4.233 10.902 -1.053 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.091 8.300 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.412 8.993 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.648 10.238 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.380 10.442 0.373 1.00 0.00 H new ATOM 181 N HIS A 16 -5.068 8.740 0.832 1.00 0.00 N ATOM 182 CA HIS A 16 -5.759 8.079 1.933 1.00 0.00 C ATOM 183 C HIS A 16 -6.802 7.096 1.408 1.00 0.00 C ATOM 184 O HIS A 16 -6.876 5.956 1.863 1.00 0.00 O ATOM 185 CB HIS A 16 -6.427 9.114 2.839 1.00 0.00 C ATOM 186 CG HIS A 16 -5.573 10.315 3.106 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.094 11.561 3.388 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.227 10.457 3.134 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.105 12.416 3.577 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.962 11.772 3.429 1.00 0.00 N ATOM 0 H HIS A 16 -5.481 9.628 0.548 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.021 7.524 2.512 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.361 9.437 2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.684 8.643 3.788 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.087 11.787 3.442 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.497 9.681 2.957 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.213 13.464 3.813 1.00 0.00 H new ATOM 199 N GLN A 17 -7.604 7.548 0.450 1.00 0.00 N ATOM 200 CA GLN A 17 -8.643 6.709 -0.135 1.00 0.00 C ATOM 201 C GLN A 17 -8.048 5.430 -0.715 1.00 0.00 C ATOM 202 O GLN A 17 -8.750 4.437 -0.900 1.00 0.00 O ATOM 203 CB GLN A 17 -9.395 7.476 -1.224 1.00 0.00 C ATOM 204 CG GLN A 17 -8.590 7.665 -2.500 1.00 0.00 C ATOM 205 CD GLN A 17 -9.448 8.103 -3.671 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.656 9.297 -3.890 1.00 0.00 O ATOM 207 NE2 GLN A 17 -9.951 7.138 -4.431 1.00 0.00 N ATOM 0 H GLN A 17 -7.554 8.490 0.062 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.342 6.436 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.317 6.944 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.681 8.454 -0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.811 8.408 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.089 6.730 -2.751 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.753 6.161 -4.213 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.536 7.373 -5.233 1.00 0.00 H new ATOM 216 N GLN A 18 -6.750 5.464 -1.000 1.00 0.00 N ATOM 217 CA GLN A 18 -6.061 4.308 -1.560 1.00 0.00 C ATOM 218 C GLN A 18 -5.458 3.446 -0.456 1.00 0.00 C ATOM 219 O GLN A 18 -5.600 2.223 -0.461 1.00 0.00 O ATOM 220 CB GLN A 18 -4.965 4.759 -2.527 1.00 0.00 C ATOM 221 CG GLN A 18 -5.499 5.271 -3.855 1.00 0.00 C ATOM 222 CD GLN A 18 -5.947 4.152 -4.775 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.591 3.197 -4.340 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.607 4.264 -6.053 1.00 0.00 N ATOM 0 H GLN A 18 -6.155 6.279 -0.852 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.792 3.710 -2.104 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.376 5.545 -2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.290 3.923 -2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.338 5.942 -3.670 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.725 5.857 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.073 5.073 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.880 3.541 -6.719 1.00 0.00 H new ATOM 233 N SER A 19 -4.783 4.091 0.490 1.00 0.00 N ATOM 234 CA SER A 19 -4.154 3.383 1.599 1.00 0.00 C ATOM 235 C SER A 19 -5.175 2.535 2.351 1.00 0.00 C ATOM 236 O SER A 19 -4.920 1.373 2.667 1.00 0.00 O ATOM 237 CB SER A 19 -3.495 4.377 2.558 1.00 0.00 C ATOM 238 OG SER A 19 -2.492 3.746 3.335 1.00 0.00 O ATOM 0 H SER A 19 -4.658 5.103 0.511 1.00 0.00 H new ATOM 0 HA SER A 19 -3.390 2.722 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.057 5.199 1.991 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.250 4.809 3.215 1.00 0.00 H new ATOM 0 HG SER A 19 -2.085 4.402 3.938 1.00 0.00 H new ATOM 244 N ARG A 20 -6.332 3.125 2.633 1.00 0.00 N ATOM 245 CA ARG A 20 -7.392 2.424 3.349 1.00 0.00 C ATOM 246 C ARG A 20 -7.750 1.118 2.647 1.00 0.00 C ATOM 247 O ARG A 20 -8.203 0.165 3.282 1.00 0.00 O ATOM 248 CB ARG A 20 -8.632 3.312 3.461 1.00 0.00 C ATOM 249 CG ARG A 20 -9.051 3.944 2.144 1.00 0.00 C ATOM 250 CD ARG A 20 -10.059 3.077 1.406 1.00 0.00 C ATOM 251 NE ARG A 20 -10.934 3.868 0.544 1.00 0.00 N ATOM 252 CZ ARG A 20 -11.727 3.340 -0.381 1.00 0.00 C ATOM 253 NH1 ARG A 20 -11.757 2.027 -0.563 1.00 0.00 N ATOM 254 NH2 ARG A 20 -12.494 4.125 -1.126 1.00 0.00 N ATOM 0 H ARG A 20 -6.559 4.086 2.377 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.029 2.190 4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -9.460 2.718 3.848 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.439 4.101 4.187 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.483 4.927 2.332 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.173 4.097 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.530 2.338 0.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.662 2.527 2.129 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.936 4.881 0.659 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.170 1.419 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.367 1.625 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.475 5.136 -0.989 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.103 3.718 -1.836 1.00 0.00 H new ATOM 268 N ARG A 21 -7.543 1.081 1.335 1.00 0.00 N ATOM 269 CA ARG A 21 -7.846 -0.108 0.547 1.00 0.00 C ATOM 270 C ARG A 21 -6.718 -1.131 0.651 1.00 0.00 C ATOM 271 O ARG A 21 -6.964 -2.325 0.819 1.00 0.00 O ATOM 272 CB ARG A 21 -8.073 0.269 -0.918 1.00 0.00 C ATOM 273 CG ARG A 21 -8.067 -0.922 -1.862 1.00 0.00 C ATOM 274 CD ARG A 21 -7.572 -0.534 -3.246 1.00 0.00 C ATOM 275 NE ARG A 21 -8.670 -0.169 -4.137 1.00 0.00 N ATOM 276 CZ ARG A 21 -8.494 0.405 -5.322 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.271 0.678 -5.756 1.00 0.00 N ATOM 278 NH2 ARG A 21 -9.543 0.708 -6.076 1.00 0.00 N ATOM 0 H ARG A 21 -7.167 1.860 0.795 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.757 -0.555 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.028 0.787 -1.007 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.299 0.971 -1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.431 -1.708 -1.454 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -9.074 -1.333 -1.937 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.880 0.304 -3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -7.015 -1.365 -3.678 1.00 0.00 H new ATOM 0 HE ARG A 21 -9.624 -0.365 -3.833 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.462 0.447 -5.179 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.139 1.119 -6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.485 0.500 -5.746 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.407 1.149 -6.986 1.00 0.00 H new ATOM 292 N ALA A 22 -5.482 -0.653 0.550 1.00 0.00 N ATOM 293 CA ALA A 22 -4.317 -1.525 0.634 1.00 0.00 C ATOM 294 C ALA A 22 -4.427 -2.475 1.822 1.00 0.00 C ATOM 295 O ALA A 22 -4.271 -3.688 1.676 1.00 0.00 O ATOM 296 CB ALA A 22 -3.044 -0.698 0.734 1.00 0.00 C ATOM 0 H ALA A 22 -5.262 0.333 0.410 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.277 -2.125 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.182 -1.363 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.951 -0.065 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -3.085 -0.073 1.626 1.00 0.00 H new ATOM 302 N ASP A 23 -4.695 -1.917 2.997 1.00 0.00 N ATOM 303 CA ASP A 23 -4.826 -2.715 4.211 1.00 0.00 C ATOM 304 C ASP A 23 -5.811 -3.861 4.004 1.00 0.00 C ATOM 305 O ASP A 23 -5.489 -5.022 4.255 1.00 0.00 O ATOM 306 CB ASP A 23 -5.283 -1.837 5.377 1.00 0.00 C ATOM 307 CG ASP A 23 -4.818 -2.368 6.718 1.00 0.00 C ATOM 308 OD1 ASP A 23 -3.628 -2.181 7.050 1.00 0.00 O ATOM 309 OD2 ASP A 23 -5.643 -2.969 7.437 1.00 0.00 O ATOM 0 H ASP A 23 -4.826 -0.915 3.135 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.849 -3.138 4.446 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.901 -0.826 5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.371 -1.770 5.373 1.00 0.00 H new ATOM 314 N ARG A 24 -7.013 -3.526 3.545 1.00 0.00 N ATOM 315 CA ARG A 24 -8.046 -4.527 3.307 1.00 0.00 C ATOM 316 C ARG A 24 -7.535 -5.626 2.381 1.00 0.00 C ATOM 317 O ARG A 24 -7.937 -6.785 2.494 1.00 0.00 O ATOM 318 CB ARG A 24 -9.290 -3.873 2.702 1.00 0.00 C ATOM 319 CG ARG A 24 -10.025 -2.956 3.665 1.00 0.00 C ATOM 320 CD ARG A 24 -10.922 -3.742 4.608 1.00 0.00 C ATOM 321 NE ARG A 24 -12.196 -4.092 3.988 1.00 0.00 N ATOM 322 CZ ARG A 24 -13.096 -4.888 4.555 1.00 0.00 C ATOM 323 NH1 ARG A 24 -12.862 -5.412 5.750 1.00 0.00 N ATOM 324 NH2 ARG A 24 -14.233 -5.160 3.928 1.00 0.00 N ATOM 0 H ARG A 24 -7.295 -2.569 3.331 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.309 -4.976 4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.998 -3.302 1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.972 -4.653 2.364 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.303 -2.380 4.244 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.625 -2.241 3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.410 -4.652 4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.106 -3.154 5.507 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.407 -3.704 3.069 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.990 -5.204 6.236 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.554 -6.023 6.183 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.417 -4.758 3.009 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.923 -5.771 4.365 1.00 0.00 H new ATOM 338 N LEU A 25 -6.646 -5.256 1.466 1.00 0.00 N ATOM 339 CA LEU A 25 -6.079 -6.210 0.520 1.00 0.00 C ATOM 340 C LEU A 25 -5.049 -7.106 1.200 1.00 0.00 C ATOM 341 O LEU A 25 -5.001 -8.312 0.957 1.00 0.00 O ATOM 342 CB LEU A 25 -5.433 -5.472 -0.654 1.00 0.00 C ATOM 343 CG LEU A 25 -6.394 -4.898 -1.696 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.686 -3.870 -2.566 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.980 -6.011 -2.553 1.00 0.00 C ATOM 0 H LEU A 25 -6.302 -4.302 1.359 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.888 -6.837 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.830 -4.656 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.750 -6.157 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.211 -4.401 -1.173 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.385 -3.472 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.316 -3.057 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.849 -4.343 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.661 -5.583 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.175 -6.537 -3.066 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.524 -6.711 -1.918 1.00 0.00 H new ATOM 357 N LEU A 26 -4.227 -6.509 2.056 1.00 0.00 N ATOM 358 CA LEU A 26 -3.198 -7.252 2.775 1.00 0.00 C ATOM 359 C LEU A 26 -3.816 -8.375 3.603 1.00 0.00 C ATOM 360 O LEU A 26 -3.268 -9.474 3.683 1.00 0.00 O ATOM 361 CB LEU A 26 -2.402 -6.313 3.682 1.00 0.00 C ATOM 362 CG LEU A 26 -1.749 -6.956 4.907 1.00 0.00 C ATOM 363 CD1 LEU A 26 -0.649 -7.916 4.483 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.197 -5.887 5.839 1.00 0.00 C ATOM 0 H LEU A 26 -4.253 -5.512 2.269 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.525 -7.694 2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.622 -5.839 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.067 -5.520 4.024 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.509 -7.522 5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.196 -8.364 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.072 -8.700 3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.111 -7.373 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.736 -6.362 6.705 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.451 -5.294 5.311 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.008 -5.239 6.170 1.00 0.00 H new ATOM 376 N ALA A 27 -4.961 -8.090 4.215 1.00 0.00 N ATOM 377 CA ALA A 27 -5.655 -9.077 5.033 1.00 0.00 C ATOM 378 C ALA A 27 -6.105 -10.267 4.193 1.00 0.00 C ATOM 379 O ALA A 27 -6.063 -11.410 4.647 1.00 0.00 O ATOM 380 CB ALA A 27 -6.848 -8.439 5.730 1.00 0.00 C ATOM 0 H ALA A 27 -5.427 -7.184 4.160 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.959 -9.442 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.357 -9.187 6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.504 -7.626 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.538 -8.047 4.983 1.00 0.00 H new ATOM 386 N ALA A 28 -6.537 -9.991 2.967 1.00 0.00 N ATOM 387 CA ALA A 28 -6.994 -11.040 2.063 1.00 0.00 C ATOM 388 C ALA A 28 -5.827 -11.646 1.292 1.00 0.00 C ATOM 389 O ALA A 28 -6.009 -12.209 0.213 1.00 0.00 O ATOM 390 CB ALA A 28 -8.037 -10.490 1.101 1.00 0.00 C ATOM 0 H ALA A 28 -6.580 -9.050 2.577 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.449 -11.829 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.369 -11.284 0.432 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.889 -10.111 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.601 -9.681 0.515 1.00 0.00 H new ATOM 396 N GLY A 29 -4.627 -11.527 1.852 1.00 0.00 N ATOM 397 CA GLY A 29 -3.448 -12.068 1.202 1.00 0.00 C ATOM 398 C GLY A 29 -3.228 -11.485 -0.180 1.00 0.00 C ATOM 399 O GLY A 29 -2.555 -12.087 -1.017 1.00 0.00 O ATOM 0 H GLY A 29 -4.451 -11.065 2.744 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.573 -11.869 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.544 -13.151 1.125 1.00 0.00 H new ATOM 403 N LYS A 30 -3.800 -10.310 -0.422 1.00 0.00 N ATOM 404 CA LYS A 30 -3.664 -9.644 -1.712 1.00 0.00 C ATOM 405 C LYS A 30 -2.491 -8.670 -1.701 1.00 0.00 C ATOM 406 O LYS A 30 -2.553 -7.601 -2.310 1.00 0.00 O ATOM 407 CB LYS A 30 -4.955 -8.900 -2.063 1.00 0.00 C ATOM 408 CG LYS A 30 -6.130 -9.821 -2.347 1.00 0.00 C ATOM 409 CD LYS A 30 -5.954 -10.560 -3.663 1.00 0.00 C ATOM 410 CE LYS A 30 -7.294 -10.950 -4.266 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.133 -11.867 -5.429 1.00 0.00 N ATOM 0 H LYS A 30 -4.362 -9.799 0.259 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.473 -10.406 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.216 -8.235 -1.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.777 -8.272 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.233 -10.541 -1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.051 -9.239 -2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.407 -9.930 -4.365 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.352 -11.454 -3.502 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.908 -11.432 -3.505 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.825 -10.052 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.069 -12.110 -5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.569 -11.398 -6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.649 -12.735 -5.122 1.00 0.00 H new ATOM 425 N TYR A 31 -1.423 -9.046 -1.007 1.00 0.00 N ATOM 426 CA TYR A 31 -0.235 -8.204 -0.916 1.00 0.00 C ATOM 427 C TYR A 31 0.015 -7.471 -2.231 1.00 0.00 C ATOM 428 O TYR A 31 -0.089 -6.247 -2.301 1.00 0.00 O ATOM 429 CB TYR A 31 0.987 -9.048 -0.550 1.00 0.00 C ATOM 430 CG TYR A 31 0.730 -10.030 0.571 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.807 -9.633 1.900 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.413 -11.356 0.301 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.574 -10.526 2.928 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.177 -12.256 1.322 1.00 0.00 C ATOM 435 CZ TYR A 31 0.259 -11.836 2.634 1.00 0.00 C ATOM 436 OH TYR A 31 0.026 -12.730 3.653 1.00 0.00 O ATOM 0 H TYR A 31 -1.355 -9.928 -0.499 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.404 -7.464 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.318 -9.595 -1.433 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.803 -8.385 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.053 -8.608 2.134 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.350 -11.688 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.638 -10.200 3.956 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.070 -13.282 1.095 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.184 -13.609 3.275 1.00 0.00 H new ATOM 446 N GLU A 32 0.345 -8.231 -3.271 1.00 0.00 N ATOM 447 CA GLU A 32 0.610 -7.654 -4.584 1.00 0.00 C ATOM 448 C GLU A 32 -0.302 -6.459 -4.847 1.00 0.00 C ATOM 449 O GLU A 32 0.170 -5.348 -5.087 1.00 0.00 O ATOM 450 CB GLU A 32 0.416 -8.707 -5.677 1.00 0.00 C ATOM 451 CG GLU A 32 1.039 -8.324 -7.008 1.00 0.00 C ATOM 452 CD GLU A 32 0.367 -9.005 -8.185 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.219 -10.090 -7.987 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.428 -8.453 -9.303 1.00 0.00 O ATOM 0 H GLU A 32 0.435 -9.246 -3.230 1.00 0.00 H new ATOM 0 HA GLU A 32 1.644 -7.311 -4.599 1.00 0.00 H new ATOM 0 HB2 GLU A 32 0.847 -9.650 -5.342 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.651 -8.877 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.978 -7.243 -7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.097 -8.585 -6.998 1.00 0.00 H new ATOM 461 N GLU A 33 -1.609 -6.697 -4.800 1.00 0.00 N ATOM 462 CA GLU A 33 -2.586 -5.640 -5.034 1.00 0.00 C ATOM 463 C GLU A 33 -2.249 -4.397 -4.216 1.00 0.00 C ATOM 464 O GLU A 33 -2.250 -3.281 -4.735 1.00 0.00 O ATOM 465 CB GLU A 33 -3.993 -6.129 -4.684 1.00 0.00 C ATOM 466 CG GLU A 33 -4.459 -7.300 -5.533 1.00 0.00 C ATOM 467 CD GLU A 33 -5.963 -7.318 -5.726 1.00 0.00 C ATOM 468 OE1 GLU A 33 -6.495 -6.369 -6.339 1.00 0.00 O ATOM 469 OE2 GLU A 33 -6.608 -8.282 -5.263 1.00 0.00 O ATOM 0 H GLU A 33 -2.015 -7.611 -4.602 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.553 -5.378 -6.091 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.017 -6.420 -3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.695 -5.304 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.972 -7.254 -6.507 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.145 -8.232 -5.063 1.00 0.00 H new ATOM 476 N ALA A 34 -1.963 -4.598 -2.934 1.00 0.00 N ATOM 477 CA ALA A 34 -1.623 -3.495 -2.044 1.00 0.00 C ATOM 478 C ALA A 34 -0.305 -2.846 -2.453 1.00 0.00 C ATOM 479 O ALA A 34 -0.248 -1.643 -2.707 1.00 0.00 O ATOM 480 CB ALA A 34 -1.551 -3.981 -0.605 1.00 0.00 C ATOM 0 H ALA A 34 -1.960 -5.515 -2.488 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.408 -2.742 -2.122 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.296 -3.147 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.517 -4.391 -0.311 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.788 -4.755 -0.520 1.00 0.00 H new ATOM 486 N ILE A 35 0.751 -3.650 -2.513 1.00 0.00 N ATOM 487 CA ILE A 35 2.068 -3.153 -2.891 1.00 0.00 C ATOM 488 C ILE A 35 1.960 -2.044 -3.932 1.00 0.00 C ATOM 489 O ILE A 35 2.402 -0.919 -3.703 1.00 0.00 O ATOM 490 CB ILE A 35 2.956 -4.281 -3.449 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.206 -5.342 -2.375 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.273 -3.715 -3.959 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.804 -6.621 -2.918 1.00 0.00 C ATOM 0 H ILE A 35 0.720 -4.648 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 35 2.526 -2.754 -1.986 1.00 0.00 H new ATOM 0 HB ILE A 35 2.438 -4.752 -4.284 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.874 -4.931 -1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.264 -5.573 -1.878 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.890 -4.524 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.076 -2.993 -4.752 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.798 -3.222 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.954 -7.328 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.127 -7.055 -3.654 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.762 -6.403 -3.390 1.00 0.00 H new ATOM 505 N SER A 36 1.366 -2.370 -5.075 1.00 0.00 N ATOM 506 CA SER A 36 1.200 -1.402 -6.153 1.00 0.00 C ATOM 507 C SER A 36 0.459 -0.162 -5.661 1.00 0.00 C ATOM 508 O SER A 36 0.959 0.958 -5.772 1.00 0.00 O ATOM 509 CB SER A 36 0.441 -2.033 -7.322 1.00 0.00 C ATOM 510 OG SER A 36 -0.813 -2.541 -6.900 1.00 0.00 O ATOM 0 H SER A 36 0.992 -3.297 -5.279 1.00 0.00 H new ATOM 0 HA SER A 36 2.191 -1.101 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.291 -1.290 -8.106 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.036 -2.837 -7.754 1.00 0.00 H new ATOM 0 HG SER A 36 -1.280 -2.938 -7.665 1.00 0.00 H new ATOM 516 N CYS A 37 -0.735 -0.371 -5.117 1.00 0.00 N ATOM 517 CA CYS A 37 -1.546 0.729 -4.608 1.00 0.00 C ATOM 518 C CYS A 37 -0.689 1.725 -3.834 1.00 0.00 C ATOM 519 O CYS A 37 -0.881 2.937 -3.937 1.00 0.00 O ATOM 520 CB CYS A 37 -2.662 0.193 -3.710 1.00 0.00 C ATOM 521 SG CYS A 37 -3.938 1.411 -3.311 1.00 0.00 S ATOM 0 H CYS A 37 -1.163 -1.292 -5.017 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.990 1.245 -5.460 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.130 -0.660 -4.201 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.223 -0.174 -2.783 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.233 1.333 -2.047 1.00 0.00 H new ATOM 527 N HIS A 38 0.258 1.206 -3.059 1.00 0.00 N ATOM 528 CA HIS A 38 1.145 2.049 -2.266 1.00 0.00 C ATOM 529 C HIS A 38 2.070 2.862 -3.167 1.00 0.00 C ATOM 530 O HIS A 38 2.250 4.063 -2.966 1.00 0.00 O ATOM 531 CB HIS A 38 1.972 1.195 -1.305 1.00 0.00 C ATOM 532 CG HIS A 38 1.296 0.948 0.009 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.862 1.964 0.835 1.00 0.00 N ATOM 534 CD2 HIS A 38 0.979 -0.207 0.638 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.309 1.444 1.916 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.367 0.127 1.821 1.00 0.00 N ATOM 0 H HIS A 38 0.431 0.205 -2.963 1.00 0.00 H new ATOM 0 HA HIS A 38 0.530 2.739 -1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.190 0.237 -1.778 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.928 1.687 -1.126 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.172 -1.206 0.277 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.118 2.000 2.737 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.015 -0.534 2.514 1.00 0.00 H new ATOM 545 N ARG A 39 2.655 2.199 -4.159 1.00 0.00 N ATOM 546 CA ARG A 39 3.562 2.859 -5.090 1.00 0.00 C ATOM 547 C ARG A 39 2.879 4.043 -5.768 1.00 0.00 C ATOM 548 O ARG A 39 3.457 5.124 -5.883 1.00 0.00 O ATOM 549 CB ARG A 39 4.055 1.868 -6.145 1.00 0.00 C ATOM 550 CG ARG A 39 4.862 0.715 -5.569 1.00 0.00 C ATOM 551 CD ARG A 39 5.211 -0.309 -6.637 1.00 0.00 C ATOM 552 NE ARG A 39 6.327 -1.161 -6.235 1.00 0.00 N ATOM 553 CZ ARG A 39 7.002 -1.935 -7.078 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.675 -1.964 -8.362 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.006 -2.681 -6.636 1.00 0.00 N ATOM 0 H ARG A 39 2.517 1.205 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 39 4.416 3.230 -4.524 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.196 1.466 -6.683 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.667 2.400 -6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.777 1.099 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.294 0.233 -4.773 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.338 -0.928 -6.844 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.464 0.206 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 39 6.603 -1.162 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.904 -1.391 -8.705 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.195 -2.559 -9.007 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.260 -2.661 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.524 -3.275 -7.284 1.00 0.00 H new ATOM 569 N LYS A 40 1.646 3.831 -6.216 1.00 0.00 N ATOM 570 CA LYS A 40 0.883 4.879 -6.882 1.00 0.00 C ATOM 571 C LYS A 40 0.746 6.106 -5.986 1.00 0.00 C ATOM 572 O LYS A 40 0.908 7.239 -6.440 1.00 0.00 O ATOM 573 CB LYS A 40 -0.504 4.361 -7.270 1.00 0.00 C ATOM 574 CG LYS A 40 -0.509 3.530 -8.541 1.00 0.00 C ATOM 575 CD LYS A 40 -1.630 2.505 -8.533 1.00 0.00 C ATOM 576 CE LYS A 40 -1.533 1.563 -9.724 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.828 0.882 -9.999 1.00 0.00 N ATOM 0 H LYS A 40 1.154 2.942 -6.130 1.00 0.00 H new ATOM 0 HA LYS A 40 1.422 5.168 -7.784 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.900 3.760 -6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.177 5.209 -7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.620 4.185 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.449 3.022 -8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.591 1.929 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.592 3.017 -8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.223 2.123 -10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.763 0.816 -9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.721 0.249 -10.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.112 0.327 -9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -3.558 1.594 -10.205 1.00 0.00 H new ATOM 591 N ALA A 41 0.450 5.873 -4.712 1.00 0.00 N ATOM 592 CA ALA A 41 0.295 6.959 -3.752 1.00 0.00 C ATOM 593 C ALA A 41 1.586 7.760 -3.618 1.00 0.00 C ATOM 594 O ALA A 41 1.604 8.970 -3.846 1.00 0.00 O ATOM 595 CB ALA A 41 -0.131 6.410 -2.398 1.00 0.00 C ATOM 0 H ALA A 41 0.313 4.941 -4.320 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.482 7.629 -4.120 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.243 7.232 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.082 5.887 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.626 5.717 -2.032 1.00 0.00 H new ATOM 601 N THR A 42 2.665 7.078 -3.245 1.00 0.00 N ATOM 602 CA THR A 42 3.959 7.727 -3.078 1.00 0.00 C ATOM 603 C THR A 42 4.313 8.570 -4.298 1.00 0.00 C ATOM 604 O THR A 42 4.518 9.779 -4.193 1.00 0.00 O ATOM 605 CB THR A 42 5.078 6.696 -2.839 1.00 0.00 C ATOM 606 OG1 THR A 42 5.027 5.676 -3.842 1.00 0.00 O ATOM 607 CG2 THR A 42 4.946 6.065 -1.460 1.00 0.00 C ATOM 0 H THR A 42 2.668 6.076 -3.053 1.00 0.00 H new ATOM 0 HA THR A 42 3.878 8.373 -2.204 1.00 0.00 H new ATOM 0 HB THR A 42 6.036 7.213 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.139 5.669 -4.256 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.747 5.340 -1.313 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.014 6.840 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.982 5.562 -1.381 1.00 0.00 H new ATOM 615 N THR A 43 4.383 7.923 -5.458 1.00 0.00 N ATOM 616 CA THR A 43 4.712 8.613 -6.699 1.00 0.00 C ATOM 617 C THR A 43 3.888 9.886 -6.856 1.00 0.00 C ATOM 618 O THR A 43 4.391 10.909 -7.322 1.00 0.00 O ATOM 619 CB THR A 43 4.478 7.709 -7.924 1.00 0.00 C ATOM 620 OG1 THR A 43 5.153 6.458 -7.746 1.00 0.00 O ATOM 621 CG2 THR A 43 4.973 8.381 -9.195 1.00 0.00 C ATOM 0 H THR A 43 4.216 6.922 -5.563 1.00 0.00 H new ATOM 0 HA THR A 43 5.769 8.872 -6.645 1.00 0.00 H new ATOM 0 HB THR A 43 3.406 7.533 -8.018 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.613 5.873 -7.174 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.797 7.724 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.437 9.318 -9.343 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.040 8.583 -9.108 1.00 0.00 H new ATOM 629 N TYR A 44 2.621 9.816 -6.464 1.00 0.00 N ATOM 630 CA TYR A 44 1.726 10.963 -6.564 1.00 0.00 C ATOM 631 C TYR A 44 2.177 12.088 -5.636 1.00 0.00 C ATOM 632 O TYR A 44 2.450 13.203 -6.080 1.00 0.00 O ATOM 633 CB TYR A 44 0.293 10.550 -6.224 1.00 0.00 C ATOM 634 CG TYR A 44 -0.686 11.702 -6.226 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.704 12.622 -7.268 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.592 11.872 -5.187 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.597 13.676 -7.274 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.489 12.923 -5.185 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.487 13.822 -6.231 1.00 0.00 C ATOM 640 OH TYR A 44 -3.378 14.871 -6.232 1.00 0.00 O ATOM 0 H TYR A 44 2.190 8.978 -6.074 1.00 0.00 H new ATOM 0 HA TYR A 44 1.758 11.328 -7.591 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.040 9.800 -6.942 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.283 10.078 -5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.008 12.511 -8.087 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.595 11.170 -4.366 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.598 14.382 -8.091 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.187 13.040 -4.369 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.598 15.112 -7.156 1.00 0.00 H new ATOM 650 N LEU A 45 2.252 11.785 -4.345 1.00 0.00 N ATOM 651 CA LEU A 45 2.671 12.769 -3.352 1.00 0.00 C ATOM 652 C LEU A 45 3.921 13.511 -3.813 1.00 0.00 C ATOM 653 O LEU A 45 3.987 14.738 -3.746 1.00 0.00 O ATOM 654 CB LEU A 45 2.936 12.086 -2.009 1.00 0.00 C ATOM 655 CG LEU A 45 1.774 11.282 -1.424 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.243 10.451 -0.240 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.639 12.208 -1.012 1.00 0.00 C ATOM 0 H LEU A 45 2.028 10.867 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 45 1.865 13.493 -3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.791 11.419 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.224 12.850 -1.286 1.00 0.00 H new ATOM 0 HG LEU A 45 1.402 10.604 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.403 9.886 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.022 9.761 -0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.641 11.110 0.532 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.179 11.619 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.997 12.910 -0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.285 12.759 -1.883 1.00 0.00 H new ATOM 669 N SER A 46 4.910 12.758 -4.285 1.00 0.00 N ATOM 670 CA SER A 46 6.159 13.344 -4.757 1.00 0.00 C ATOM 671 C SER A 46 5.903 14.314 -5.906 1.00 0.00 C ATOM 672 O SER A 46 6.429 15.427 -5.921 1.00 0.00 O ATOM 673 CB SER A 46 7.124 12.246 -5.206 1.00 0.00 C ATOM 674 OG SER A 46 8.472 12.656 -5.048 1.00 0.00 O ATOM 0 H SER A 46 4.870 11.741 -4.351 1.00 0.00 H new ATOM 0 HA SER A 46 6.608 13.896 -3.932 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.945 11.341 -4.626 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.936 11.997 -6.250 1.00 0.00 H new ATOM 0 HG SER A 46 9.069 11.936 -5.340 1.00 0.00 H new ATOM 680 N GLU A 47 5.093 13.882 -6.867 1.00 0.00 N ATOM 681 CA GLU A 47 4.768 14.712 -8.022 1.00 0.00 C ATOM 682 C GLU A 47 4.286 16.091 -7.582 1.00 0.00 C ATOM 683 O GLU A 47 4.512 17.087 -8.269 1.00 0.00 O ATOM 684 CB GLU A 47 3.697 14.035 -8.880 1.00 0.00 C ATOM 685 CG GLU A 47 4.265 13.127 -9.958 1.00 0.00 C ATOM 686 CD GLU A 47 4.889 13.900 -11.103 1.00 0.00 C ATOM 687 OE1 GLU A 47 4.138 14.566 -11.847 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.126 13.840 -11.256 1.00 0.00 O ATOM 0 H GLU A 47 4.650 12.963 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 47 5.674 14.835 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.041 13.452 -8.234 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.082 14.802 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.015 12.470 -9.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.471 12.489 -10.346 1.00 0.00 H new ATOM 695 N ALA A 48 3.620 16.141 -6.433 1.00 0.00 N ATOM 696 CA ALA A 48 3.108 17.397 -5.901 1.00 0.00 C ATOM 697 C ALA A 48 4.160 18.105 -5.055 1.00 0.00 C ATOM 698 O ALA A 48 4.335 19.319 -5.153 1.00 0.00 O ATOM 699 CB ALA A 48 1.849 17.149 -5.082 1.00 0.00 C ATOM 0 H ALA A 48 3.423 15.326 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 48 2.860 18.045 -6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.477 18.096 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.087 16.694 -5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.080 16.480 -4.253 1.00 0.00 H new ATOM 705 N MET A 49 4.858 17.338 -4.224 1.00 0.00 N ATOM 706 CA MET A 49 5.894 17.893 -3.360 1.00 0.00 C ATOM 707 C MET A 49 6.973 18.590 -4.184 1.00 0.00 C ATOM 708 O MET A 49 7.260 19.769 -3.979 1.00 0.00 O ATOM 709 CB MET A 49 6.522 16.790 -2.506 1.00 0.00 C ATOM 710 CG MET A 49 7.984 17.037 -2.173 1.00 0.00 C ATOM 711 SD MET A 49 8.744 15.648 -1.310 1.00 0.00 S ATOM 712 CE MET A 49 7.383 15.102 -0.283 1.00 0.00 C ATOM 0 H MET A 49 4.725 16.331 -4.130 1.00 0.00 H new ATOM 0 HA MET A 49 5.429 18.629 -2.705 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.958 16.695 -1.578 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.433 15.840 -3.032 1.00 0.00 H new ATOM 0 HG2 MET A 49 8.534 17.233 -3.093 1.00 0.00 H new ATOM 0 HG3 MET A 49 8.066 17.932 -1.556 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.692 14.234 0.300 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.090 15.907 0.391 1.00 0.00 H new ATOM 0 HE3 MET A 49 6.536 14.832 -0.914 1.00 0.00 H new ATOM 722 N LYS A 50 7.567 17.853 -5.117 1.00 0.00 N ATOM 723 CA LYS A 50 8.613 18.400 -5.973 1.00 0.00 C ATOM 724 C LYS A 50 8.149 19.689 -6.644 1.00 0.00 C ATOM 725 O LYS A 50 8.960 20.462 -7.154 1.00 0.00 O ATOM 726 CB LYS A 50 9.017 17.376 -7.037 1.00 0.00 C ATOM 727 CG LYS A 50 10.050 16.373 -6.554 1.00 0.00 C ATOM 728 CD LYS A 50 10.193 15.210 -7.521 1.00 0.00 C ATOM 729 CE LYS A 50 10.679 15.676 -8.885 1.00 0.00 C ATOM 730 NZ LYS A 50 11.227 14.550 -9.692 1.00 0.00 N ATOM 0 H LYS A 50 7.342 16.875 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 50 9.477 18.627 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.128 16.839 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.413 17.903 -7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.013 16.870 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.762 15.998 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.893 14.481 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.233 14.705 -7.629 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.855 16.142 -9.425 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.447 16.438 -8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.548 14.908 -10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.030 14.121 -9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.487 13.834 -9.837 1.00 0.00 H new ATOM 744 N LEU A 51 6.840 19.915 -6.638 1.00 0.00 N ATOM 745 CA LEU A 51 6.267 21.112 -7.245 1.00 0.00 C ATOM 746 C LEU A 51 6.068 22.209 -6.203 1.00 0.00 C ATOM 747 O LEU A 51 6.669 23.281 -6.291 1.00 0.00 O ATOM 748 CB LEU A 51 4.933 20.781 -7.914 1.00 0.00 C ATOM 749 CG LEU A 51 4.543 21.657 -9.105 1.00 0.00 C ATOM 750 CD1 LEU A 51 5.574 21.537 -10.216 1.00 0.00 C ATOM 751 CD2 LEU A 51 3.160 21.279 -9.616 1.00 0.00 C ATOM 0 H LEU A 51 6.155 19.285 -6.220 1.00 0.00 H new ATOM 0 HA LEU A 51 6.964 21.475 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.964 19.743 -8.247 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.146 20.852 -7.163 1.00 0.00 H new ATOM 0 HG LEU A 51 4.515 22.695 -8.773 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.280 22.167 -11.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.547 21.858 -9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 51 5.635 20.500 -10.545 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.899 21.913 -10.464 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.161 20.235 -9.930 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.428 21.418 -8.821 1.00 0.00 H new ATOM 763 N THR A 52 5.223 21.933 -5.215 1.00 0.00 N ATOM 764 CA THR A 52 4.945 22.894 -4.156 1.00 0.00 C ATOM 765 C THR A 52 6.233 23.368 -3.492 1.00 0.00 C ATOM 766 O THR A 52 7.175 22.595 -3.323 1.00 0.00 O ATOM 767 CB THR A 52 4.017 22.295 -3.082 1.00 0.00 C ATOM 768 OG1 THR A 52 3.289 23.339 -2.425 1.00 0.00 O ATOM 769 CG2 THR A 52 4.816 21.505 -2.057 1.00 0.00 C ATOM 0 H THR A 52 4.719 21.051 -5.126 1.00 0.00 H new ATOM 0 HA THR A 52 4.446 23.743 -4.623 1.00 0.00 H new ATOM 0 HB THR A 52 3.317 21.619 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.700 22.949 -1.745 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.140 21.092 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.346 20.693 -2.556 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.536 22.163 -1.571 1.00 0.00 H new ATOM 777 N GLU A 53 6.266 24.643 -3.116 1.00 0.00 N ATOM 778 CA GLU A 53 7.440 25.218 -2.470 1.00 0.00 C ATOM 779 C GLU A 53 7.172 25.481 -0.991 1.00 0.00 C ATOM 780 O GLU A 53 8.082 25.417 -0.164 1.00 0.00 O ATOM 781 CB GLU A 53 7.846 26.519 -3.166 1.00 0.00 C ATOM 782 CG GLU A 53 7.002 27.716 -2.759 1.00 0.00 C ATOM 783 CD GLU A 53 7.636 29.036 -3.151 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.888 29.238 -4.358 1.00 0.00 O ATOM 785 OE2 GLU A 53 7.880 29.868 -2.253 1.00 0.00 O ATOM 0 H GLU A 53 5.494 25.296 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 53 8.257 24.501 -2.552 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.892 26.730 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.772 26.383 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.019 27.637 -3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.848 27.697 -1.680 1.00 0.00 H new ATOM 792 N SER A 54 5.918 25.779 -0.666 1.00 0.00 N ATOM 793 CA SER A 54 5.531 26.056 0.712 1.00 0.00 C ATOM 794 C SER A 54 6.126 25.022 1.662 1.00 0.00 C ATOM 795 O SER A 54 6.546 23.945 1.240 1.00 0.00 O ATOM 796 CB SER A 54 4.007 26.068 0.843 1.00 0.00 C ATOM 797 OG SER A 54 3.458 27.260 0.308 1.00 0.00 O ATOM 0 H SER A 54 5.153 25.835 -1.338 1.00 0.00 H new ATOM 0 HA SER A 54 5.920 27.038 0.982 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.588 25.206 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.728 25.975 1.893 1.00 0.00 H new ATOM 0 HG SER A 54 2.483 27.242 0.402 1.00 0.00 H new ATOM 803 N GLU A 55 6.159 25.358 2.948 1.00 0.00 N ATOM 804 CA GLU A 55 6.704 24.459 3.959 1.00 0.00 C ATOM 805 C GLU A 55 5.659 23.438 4.399 1.00 0.00 C ATOM 806 O GLU A 55 5.816 22.239 4.175 1.00 0.00 O ATOM 807 CB GLU A 55 7.197 25.255 5.169 1.00 0.00 C ATOM 808 CG GLU A 55 8.343 24.588 5.910 1.00 0.00 C ATOM 809 CD GLU A 55 8.915 25.463 7.009 1.00 0.00 C ATOM 810 OE1 GLU A 55 9.775 26.316 6.702 1.00 0.00 O ATOM 811 OE2 GLU A 55 8.502 25.296 8.175 1.00 0.00 O ATOM 0 H GLU A 55 5.815 26.246 3.314 1.00 0.00 H new ATOM 0 HA GLU A 55 7.545 23.925 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.516 26.243 4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.366 25.403 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.994 23.650 6.342 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.133 24.338 5.201 1.00 0.00 H new ATOM 818 N GLN A 56 4.593 23.925 5.026 1.00 0.00 N ATOM 819 CA GLN A 56 3.522 23.055 5.499 1.00 0.00 C ATOM 820 C GLN A 56 3.181 21.996 4.456 1.00 0.00 C ATOM 821 O GLN A 56 3.248 20.798 4.729 1.00 0.00 O ATOM 822 CB GLN A 56 2.277 23.878 5.834 1.00 0.00 C ATOM 823 CG GLN A 56 2.410 24.690 7.112 1.00 0.00 C ATOM 824 CD GLN A 56 2.119 23.872 8.355 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.965 23.562 8.653 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.167 23.517 9.090 1.00 0.00 N ATOM 0 H GLN A 56 4.448 24.916 5.218 1.00 0.00 H new ATOM 0 HA GLN A 56 3.869 22.552 6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.064 24.553 5.005 1.00 0.00 H new ATOM 0 HB3 GLN A 56 1.423 23.208 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.419 25.096 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.727 25.539 7.072 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.106 23.795 8.807 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.032 22.966 9.938 1.00 0.00 H new ATOM 835 N ALA A 57 2.813 22.446 3.261 1.00 0.00 N ATOM 836 CA ALA A 57 2.463 21.538 2.177 1.00 0.00 C ATOM 837 C ALA A 57 3.515 20.446 2.013 1.00 0.00 C ATOM 838 O ALA A 57 3.234 19.264 2.211 1.00 0.00 O ATOM 839 CB ALA A 57 2.292 22.309 0.876 1.00 0.00 C ATOM 0 H ALA A 57 2.750 23.435 3.019 1.00 0.00 H new ATOM 0 HA ALA A 57 1.517 21.059 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.031 21.618 0.075 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.498 23.047 0.992 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.225 22.816 0.628 1.00 0.00 H new ATOM 845 N HIS A 58 4.728 20.851 1.649 1.00 0.00 N ATOM 846 CA HIS A 58 5.823 19.906 1.459 1.00 0.00 C ATOM 847 C HIS A 58 5.911 18.932 2.629 1.00 0.00 C ATOM 848 O HIS A 58 5.983 17.717 2.436 1.00 0.00 O ATOM 849 CB HIS A 58 7.148 20.654 1.303 1.00 0.00 C ATOM 850 CG HIS A 58 8.341 19.751 1.234 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.822 19.055 2.323 1.00 0.00 N ATOM 852 CD2 HIS A 58 9.150 19.430 0.198 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.876 18.347 1.960 1.00 0.00 C ATOM 854 NE2 HIS A 58 10.096 18.556 0.675 1.00 0.00 N ATOM 0 H HIS A 58 4.977 21.826 1.480 1.00 0.00 H new ATOM 0 HA HIS A 58 5.625 19.337 0.551 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.109 21.261 0.398 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.270 21.340 2.142 1.00 0.00 H new ATOM 0 HD1 HIS A 58 8.426 19.083 3.262 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.067 19.793 -0.816 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.459 17.706 2.605 1.00 0.00 H new ATOM 863 N LEU A 59 5.904 19.471 3.843 1.00 0.00 N ATOM 864 CA LEU A 59 5.983 18.649 5.046 1.00 0.00 C ATOM 865 C LEU A 59 4.902 17.573 5.043 1.00 0.00 C ATOM 866 O LEU A 59 5.195 16.385 5.171 1.00 0.00 O ATOM 867 CB LEU A 59 5.845 19.523 6.294 1.00 0.00 C ATOM 868 CG LEU A 59 7.147 20.083 6.868 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.008 20.674 5.762 1.00 0.00 C ATOM 870 CD2 LEU A 59 6.853 21.129 7.934 1.00 0.00 C ATOM 0 H LEU A 59 5.844 20.474 4.021 1.00 0.00 H new ATOM 0 HA LEU A 59 6.957 18.159 5.058 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.187 20.359 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 59 5.351 18.938 7.070 1.00 0.00 H new ATOM 0 HG LEU A 59 7.699 19.265 7.332 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.930 21.067 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.247 19.899 5.034 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.464 21.480 5.269 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.791 21.517 8.332 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.280 21.945 7.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 6.277 20.675 8.740 1.00 0.00 H new ATOM 882 N SER A 60 3.652 17.999 4.893 1.00 0.00 N ATOM 883 CA SER A 60 2.526 17.072 4.874 1.00 0.00 C ATOM 884 C SER A 60 2.806 15.896 3.942 1.00 0.00 C ATOM 885 O SER A 60 2.221 14.822 4.086 1.00 0.00 O ATOM 886 CB SER A 60 1.251 17.794 4.434 1.00 0.00 C ATOM 887 OG SER A 60 1.113 17.772 3.024 1.00 0.00 O ATOM 0 H SER A 60 3.393 18.979 4.783 1.00 0.00 H new ATOM 0 HA SER A 60 2.387 16.687 5.884 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.384 17.321 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.274 18.826 4.784 1.00 0.00 H new ATOM 0 HG SER A 60 1.800 18.342 2.619 1.00 0.00 H new ATOM 893 N LEU A 61 3.704 16.108 2.987 1.00 0.00 N ATOM 894 CA LEU A 61 4.063 15.067 2.030 1.00 0.00 C ATOM 895 C LEU A 61 5.303 14.308 2.491 1.00 0.00 C ATOM 896 O LEU A 61 5.247 13.106 2.745 1.00 0.00 O ATOM 897 CB LEU A 61 4.309 15.678 0.649 1.00 0.00 C ATOM 898 CG LEU A 61 3.207 16.594 0.115 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.785 17.620 -0.847 1.00 0.00 C ATOM 900 CD2 LEU A 61 2.118 15.777 -0.565 1.00 0.00 C ATOM 0 H LEU A 61 4.197 16.991 2.854 1.00 0.00 H new ATOM 0 HA LEU A 61 3.232 14.364 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.239 16.245 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.457 14.867 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 61 2.763 17.125 0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.986 18.263 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.528 18.226 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.256 17.107 -1.686 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.342 16.445 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.548 15.219 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.683 15.082 0.153 1.00 0.00 H new ATOM 912 N GLU A 62 6.421 15.021 2.597 1.00 0.00 N ATOM 913 CA GLU A 62 7.674 14.413 3.029 1.00 0.00 C ATOM 914 C GLU A 62 7.442 13.456 4.194 1.00 0.00 C ATOM 915 O GLU A 62 8.223 12.530 4.417 1.00 0.00 O ATOM 916 CB GLU A 62 8.677 15.495 3.436 1.00 0.00 C ATOM 917 CG GLU A 62 8.581 15.895 4.899 1.00 0.00 C ATOM 918 CD GLU A 62 9.591 16.960 5.281 1.00 0.00 C ATOM 919 OE1 GLU A 62 9.480 18.093 4.768 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.491 16.659 6.092 1.00 0.00 O ATOM 0 H GLU A 62 6.484 16.018 2.390 1.00 0.00 H new ATOM 0 HA GLU A 62 8.081 13.846 2.192 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.686 15.138 3.231 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.519 16.377 2.816 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.576 16.262 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.734 15.015 5.523 1.00 0.00 H new ATOM 927 N LEU A 63 6.363 13.685 4.935 1.00 0.00 N ATOM 928 CA LEU A 63 6.027 12.844 6.078 1.00 0.00 C ATOM 929 C LEU A 63 5.103 11.703 5.662 1.00 0.00 C ATOM 930 O LEU A 63 5.487 10.535 5.704 1.00 0.00 O ATOM 931 CB LEU A 63 5.362 13.679 7.174 1.00 0.00 C ATOM 932 CG LEU A 63 6.266 14.678 7.897 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.434 15.677 8.686 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.239 13.950 8.814 1.00 0.00 C ATOM 0 H LEU A 63 5.706 14.446 4.764 1.00 0.00 H new ATOM 0 HA LEU A 63 6.951 12.416 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.530 14.226 6.732 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.939 13.000 7.914 1.00 0.00 H new ATOM 0 HG LEU A 63 6.841 15.225 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.094 16.380 9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.778 16.221 8.007 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.832 15.147 9.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.875 14.676 9.320 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.681 13.377 9.555 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.859 13.275 8.224 1.00 0.00 H new ATOM 946 N GLN A 64 3.886 12.052 5.258 1.00 0.00 N ATOM 947 CA GLN A 64 2.908 11.057 4.833 1.00 0.00 C ATOM 948 C GLN A 64 3.553 10.015 3.925 1.00 0.00 C ATOM 949 O GLN A 64 3.100 8.872 3.858 1.00 0.00 O ATOM 950 CB GLN A 64 1.744 11.733 4.107 1.00 0.00 C ATOM 951 CG GLN A 64 0.616 10.780 3.746 1.00 0.00 C ATOM 952 CD GLN A 64 -0.734 11.468 3.690 1.00 0.00 C ATOM 953 OE1 GLN A 64 -1.052 12.233 4.728 1.00 0.00 O flip ATOM 954 NE2 GLN A 64 -1.483 11.313 2.725 1.00 0.00 N flip ATOM 0 H GLN A 64 3.554 13.015 5.216 1.00 0.00 H new ATOM 0 HA GLN A 64 2.529 10.553 5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.348 12.530 4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.118 12.202 3.197 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.827 10.323 2.779 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.578 9.974 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.198 10.716 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.389 11.782 2.702 1.00 0.00 H new ATOM 963 N ARG A 65 4.610 10.417 3.228 1.00 0.00 N ATOM 964 CA ARG A 65 5.316 9.518 2.323 1.00 0.00 C ATOM 965 C ARG A 65 6.052 8.431 3.101 1.00 0.00 C ATOM 966 O ARG A 65 5.926 7.244 2.799 1.00 0.00 O ATOM 967 CB ARG A 65 6.306 10.302 1.460 1.00 0.00 C ATOM 968 CG ARG A 65 6.665 9.604 0.158 1.00 0.00 C ATOM 969 CD ARG A 65 7.948 10.162 -0.437 1.00 0.00 C ATOM 970 NE ARG A 65 9.079 10.027 0.477 1.00 0.00 N ATOM 971 CZ ARG A 65 10.340 10.247 0.123 1.00 0.00 C ATOM 972 NH1 ARG A 65 10.630 10.611 -1.118 1.00 0.00 N ATOM 973 NH2 ARG A 65 11.315 10.104 1.013 1.00 0.00 N ATOM 0 H ARG A 65 4.997 11.360 3.272 1.00 0.00 H new ATOM 0 HA ARG A 65 4.579 9.042 1.676 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.882 11.280 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.217 10.475 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.780 8.535 0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.850 9.722 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.171 9.643 -1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.805 11.214 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 65 8.890 9.749 1.440 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.884 10.723 -1.804 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.599 10.779 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.096 9.825 1.969 1.00 0.00 H new ATOM 0 HH22 ARG A 65 12.283 10.273 0.740 1.00 0.00 H new ATOM 987 N ASP A 66 6.821 8.845 4.102 1.00 0.00 N ATOM 988 CA ASP A 66 7.577 7.907 4.923 1.00 0.00 C ATOM 989 C ASP A 66 6.778 6.630 5.166 1.00 0.00 C ATOM 990 O ASP A 66 7.196 5.540 4.775 1.00 0.00 O ATOM 991 CB ASP A 66 7.950 8.552 6.259 1.00 0.00 C ATOM 992 CG ASP A 66 8.694 7.599 7.174 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.518 6.811 6.666 1.00 0.00 O ATOM 994 OD2 ASP A 66 8.451 7.641 8.399 1.00 0.00 O ATOM 0 H ASP A 66 6.937 9.824 4.364 1.00 0.00 H new ATOM 0 HA ASP A 66 8.489 7.646 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.568 9.431 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.044 8.898 6.758 1.00 0.00 H new ATOM 999 N SER A 67 5.626 6.773 5.814 1.00 0.00 N ATOM 1000 CA SER A 67 4.771 5.630 6.113 1.00 0.00 C ATOM 1001 C SER A 67 4.377 4.897 4.835 1.00 0.00 C ATOM 1002 O SER A 67 4.663 3.710 4.673 1.00 0.00 O ATOM 1003 CB SER A 67 3.516 6.088 6.859 1.00 0.00 C ATOM 1004 OG SER A 67 2.694 6.891 6.030 1.00 0.00 O ATOM 0 H SER A 67 5.264 7.668 6.142 1.00 0.00 H new ATOM 0 HA SER A 67 5.332 4.943 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.954 5.218 7.200 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.802 6.651 7.747 1.00 0.00 H new ATOM 0 HG SER A 67 1.898 7.169 6.530 1.00 0.00 H new ATOM 1010 N HIS A 68 3.719 5.612 3.928 1.00 0.00 N ATOM 1011 CA HIS A 68 3.286 5.030 2.663 1.00 0.00 C ATOM 1012 C HIS A 68 4.328 4.051 2.130 1.00 0.00 C ATOM 1013 O HIS A 68 3.996 3.105 1.417 1.00 0.00 O ATOM 1014 CB HIS A 68 3.029 6.131 1.633 1.00 0.00 C ATOM 1015 CG HIS A 68 1.714 6.825 1.812 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.521 6.150 1.957 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.410 8.142 1.872 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.462 7.022 2.096 1.00 0.00 C ATOM 1019 NE2 HIS A 68 0.051 8.238 2.049 1.00 0.00 N ATOM 0 H HIS A 68 3.474 6.595 4.046 1.00 0.00 H new ATOM 0 HA HIS A 68 2.359 4.485 2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.830 6.868 1.693 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.069 5.698 0.633 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.414 5.136 1.957 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.106 8.964 1.795 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.507 6.781 2.226 1.00 0.00 H new ATOM 1028 N MET A 69 5.588 4.286 2.481 1.00 0.00 N ATOM 1029 CA MET A 69 6.678 3.425 2.038 1.00 0.00 C ATOM 1030 C MET A 69 7.012 2.382 3.100 1.00 0.00 C ATOM 1031 O MET A 69 7.261 1.218 2.785 1.00 0.00 O ATOM 1032 CB MET A 69 7.919 4.260 1.719 1.00 0.00 C ATOM 1033 CG MET A 69 7.896 4.875 0.329 1.00 0.00 C ATOM 1034 SD MET A 69 7.758 3.639 -0.976 1.00 0.00 S ATOM 1035 CE MET A 69 9.169 2.599 -0.608 1.00 0.00 C ATOM 0 H MET A 69 5.879 5.065 3.071 1.00 0.00 H new ATOM 0 HA MET A 69 6.355 2.908 1.134 1.00 0.00 H new ATOM 0 HB2 MET A 69 8.011 5.056 2.458 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.804 3.632 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.058 5.569 0.257 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.805 5.457 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.457 2.047 -1.502 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.003 3.220 -0.281 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.907 1.897 0.183 1.00 0.00 H new ATOM 1045 N LYS A 70 7.016 2.806 4.359 1.00 0.00 N ATOM 1046 CA LYS A 70 7.318 1.909 5.469 1.00 0.00 C ATOM 1047 C LYS A 70 6.460 0.650 5.399 1.00 0.00 C ATOM 1048 O LYS A 70 6.926 -0.446 5.711 1.00 0.00 O ATOM 1049 CB LYS A 70 7.090 2.621 6.804 1.00 0.00 C ATOM 1050 CG LYS A 70 5.687 2.442 7.357 1.00 0.00 C ATOM 1051 CD LYS A 70 5.557 3.037 8.749 1.00 0.00 C ATOM 1052 CE LYS A 70 6.055 2.074 9.816 1.00 0.00 C ATOM 1053 NZ LYS A 70 6.043 2.692 11.171 1.00 0.00 N ATOM 0 H LYS A 70 6.813 3.766 4.637 1.00 0.00 H new ATOM 0 HA LYS A 70 8.366 1.618 5.394 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.809 2.247 7.533 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.288 3.685 6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.968 2.916 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.440 1.381 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.124 3.966 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.514 3.288 8.942 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.430 1.181 9.819 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.068 1.754 9.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.389 2.004 11.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.659 3.530 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.072 2.974 11.415 1.00 0.00 H new ATOM 1067 N GLN A 71 5.207 0.814 4.988 1.00 0.00 N ATOM 1068 CA GLN A 71 4.286 -0.310 4.878 1.00 0.00 C ATOM 1069 C GLN A 71 4.593 -1.146 3.640 1.00 0.00 C ATOM 1070 O GLN A 71 4.469 -2.372 3.658 1.00 0.00 O ATOM 1071 CB GLN A 71 2.841 0.190 4.825 1.00 0.00 C ATOM 1072 CG GLN A 71 2.275 0.560 6.186 1.00 0.00 C ATOM 1073 CD GLN A 71 2.340 -0.585 7.177 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.520 -1.503 7.137 1.00 0.00 O ATOM 1075 NE2 GLN A 71 3.319 -0.538 8.073 1.00 0.00 N ATOM 0 H GLN A 71 4.807 1.715 4.726 1.00 0.00 H new ATOM 0 HA GLN A 71 4.413 -0.939 5.759 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.790 1.060 4.171 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.214 -0.582 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.826 1.412 6.585 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.238 0.877 6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.976 0.242 8.070 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.414 -1.282 8.765 1.00 0.00 H new ATOM 1084 N LEU A 72 4.994 -0.477 2.565 1.00 0.00 N ATOM 1085 CA LEU A 72 5.319 -1.158 1.316 1.00 0.00 C ATOM 1086 C LEU A 72 6.442 -2.169 1.524 1.00 0.00 C ATOM 1087 O LEU A 72 6.269 -3.364 1.282 1.00 0.00 O ATOM 1088 CB LEU A 72 5.724 -0.141 0.248 1.00 0.00 C ATOM 1089 CG LEU A 72 6.352 -0.715 -1.022 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.421 -1.732 -1.665 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.687 0.399 -2.003 1.00 0.00 C ATOM 0 H LEU A 72 5.102 0.537 2.533 1.00 0.00 H new ATOM 0 HA LEU A 72 4.431 -1.693 0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.840 0.431 -0.034 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.429 0.561 0.693 1.00 0.00 H new ATOM 0 HG LEU A 72 7.278 -1.221 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.885 -2.130 -2.568 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.232 -2.546 -0.965 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.478 -1.250 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.133 -0.029 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.776 0.935 -2.270 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.392 1.090 -1.542 1.00 0.00 H new ATOM 1103 N LEU A 73 7.593 -1.682 1.976 1.00 0.00 N ATOM 1104 CA LEU A 73 8.745 -2.544 2.219 1.00 0.00 C ATOM 1105 C LEU A 73 8.349 -3.761 3.048 1.00 0.00 C ATOM 1106 O LEU A 73 8.880 -4.856 2.856 1.00 0.00 O ATOM 1107 CB LEU A 73 9.849 -1.763 2.934 1.00 0.00 C ATOM 1108 CG LEU A 73 10.133 -0.359 2.397 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.310 0.264 3.131 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.399 -0.405 0.900 1.00 0.00 C ATOM 0 H LEU A 73 7.753 -0.696 2.181 1.00 0.00 H new ATOM 0 HA LEU A 73 9.119 -2.890 1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.584 -1.681 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.770 -2.344 2.881 1.00 0.00 H new ATOM 0 HG LEU A 73 9.254 0.261 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.498 1.262 2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.081 0.332 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.196 -0.355 2.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.599 0.602 0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.262 -1.040 0.703 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.526 -0.810 0.388 1.00 0.00 H new ATOM 1122 N LEU A 74 7.412 -3.564 3.969 1.00 0.00 N ATOM 1123 CA LEU A 74 6.943 -4.647 4.827 1.00 0.00 C ATOM 1124 C LEU A 74 6.077 -5.627 4.042 1.00 0.00 C ATOM 1125 O LEU A 74 6.385 -6.816 3.962 1.00 0.00 O ATOM 1126 CB LEU A 74 6.151 -4.081 6.008 1.00 0.00 C ATOM 1127 CG LEU A 74 6.975 -3.637 7.217 1.00 0.00 C ATOM 1128 CD1 LEU A 74 6.131 -2.787 8.154 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.538 -4.845 7.951 1.00 0.00 C ATOM 0 H LEU A 74 6.962 -2.665 4.141 1.00 0.00 H new ATOM 0 HA LEU A 74 7.814 -5.183 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.571 -3.228 5.655 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.438 -4.837 6.337 1.00 0.00 H new ATOM 0 HG LEU A 74 7.809 -3.032 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.734 -2.480 9.009 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.777 -1.903 7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.277 -3.368 8.502 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.122 -4.510 8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.719 -5.477 8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.178 -5.415 7.277 1.00 0.00 H new ATOM 1141 N ILE A 75 4.994 -5.119 3.463 1.00 0.00 N ATOM 1142 CA ILE A 75 4.086 -5.949 2.681 1.00 0.00 C ATOM 1143 C ILE A 75 4.846 -6.770 1.645 1.00 0.00 C ATOM 1144 O ILE A 75 4.514 -7.928 1.392 1.00 0.00 O ATOM 1145 CB ILE A 75 3.021 -5.098 1.965 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.139 -4.379 2.987 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.176 -5.969 1.048 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.219 -3.347 2.373 1.00 0.00 C ATOM 0 H ILE A 75 4.724 -4.137 3.521 1.00 0.00 H new ATOM 0 HA ILE A 75 3.591 -6.621 3.382 1.00 0.00 H new ATOM 0 HB ILE A 75 3.526 -4.347 1.357 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.539 -5.117 3.520 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.776 -3.892 3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.428 -5.353 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.816 -6.439 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.678 -6.740 1.636 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.624 -2.878 3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.812 -2.587 1.864 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.557 -3.831 1.655 1.00 0.00 H new ATOM 1160 N GLN A 76 5.868 -6.163 1.050 1.00 0.00 N ATOM 1161 CA GLN A 76 6.676 -6.839 0.042 1.00 0.00 C ATOM 1162 C GLN A 76 7.296 -8.113 0.606 1.00 0.00 C ATOM 1163 O GLN A 76 7.061 -9.207 0.095 1.00 0.00 O ATOM 1164 CB GLN A 76 7.774 -5.906 -0.471 1.00 0.00 C ATOM 1165 CG GLN A 76 7.291 -4.915 -1.517 1.00 0.00 C ATOM 1166 CD GLN A 76 8.432 -4.236 -2.248 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.797 -4.632 -3.356 1.00 0.00 O ATOM 1168 NE2 GLN A 76 9.003 -3.208 -1.632 1.00 0.00 N ATOM 0 H GLN A 76 6.156 -5.205 1.249 1.00 0.00 H new ATOM 0 HA GLN A 76 6.024 -7.111 -0.788 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.195 -5.356 0.371 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.580 -6.505 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.659 -5.433 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.671 -4.158 -1.036 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.669 -2.914 -0.714 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.776 -2.713 -2.076 1.00 0.00 H new ATOM 1177 N GLU A 77 8.088 -7.962 1.663 1.00 0.00 N ATOM 1178 CA GLU A 77 8.743 -9.101 2.295 1.00 0.00 C ATOM 1179 C GLU A 77 7.714 -10.090 2.834 1.00 0.00 C ATOM 1180 O GLU A 77 7.973 -11.291 2.913 1.00 0.00 O ATOM 1181 CB GLU A 77 9.655 -8.629 3.429 1.00 0.00 C ATOM 1182 CG GLU A 77 8.941 -7.791 4.477 1.00 0.00 C ATOM 1183 CD GLU A 77 9.804 -7.516 5.692 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.797 -6.771 5.559 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.486 -8.046 6.777 1.00 0.00 O ATOM 0 H GLU A 77 8.291 -7.063 2.099 1.00 0.00 H new ATOM 0 HA GLU A 77 9.346 -9.605 1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.099 -9.499 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.474 -8.047 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.634 -6.844 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.032 -8.305 4.790 1.00 0.00 H new ATOM 1192 N ARG A 78 6.545 -9.576 3.204 1.00 0.00 N ATOM 1193 CA ARG A 78 5.477 -10.413 3.737 1.00 0.00 C ATOM 1194 C ARG A 78 4.901 -11.317 2.651 1.00 0.00 C ATOM 1195 O ARG A 78 4.526 -12.459 2.915 1.00 0.00 O ATOM 1196 CB ARG A 78 4.368 -9.543 4.333 1.00 0.00 C ATOM 1197 CG ARG A 78 4.740 -8.910 5.664 1.00 0.00 C ATOM 1198 CD ARG A 78 4.805 -9.946 6.775 1.00 0.00 C ATOM 1199 NE ARG A 78 3.499 -10.175 7.388 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.634 -11.086 6.957 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.935 -11.850 5.916 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.465 -11.234 7.567 1.00 0.00 N ATOM 0 H ARG A 78 6.314 -8.584 3.144 1.00 0.00 H new ATOM 0 HA ARG A 78 5.899 -11.041 4.522 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.115 -8.755 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.473 -10.151 4.467 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.705 -8.411 5.574 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.008 -8.145 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.186 -10.885 6.373 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.510 -9.616 7.538 1.00 0.00 H new ATOM 0 HE ARG A 78 3.237 -9.604 8.191 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.833 -11.739 5.444 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.269 -12.549 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.230 -10.648 8.368 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.802 -11.934 7.235 1.00 0.00 H new ATOM 1216 N TRP A 79 4.833 -10.797 1.431 1.00 0.00 N ATOM 1217 CA TRP A 79 4.302 -11.557 0.305 1.00 0.00 C ATOM 1218 C TRP A 79 5.288 -12.633 -0.139 1.00 0.00 C ATOM 1219 O TRP A 79 4.895 -13.755 -0.458 1.00 0.00 O ATOM 1220 CB TRP A 79 3.987 -10.623 -0.865 1.00 0.00 C ATOM 1221 CG TRP A 79 3.259 -11.300 -1.986 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.355 -12.317 -1.881 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.377 -11.009 -3.383 1.00 0.00 C ATOM 1224 NE1 TRP A 79 1.903 -12.677 -3.128 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.514 -11.888 -4.066 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.126 -10.090 -4.123 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.383 -11.874 -5.452 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 3.995 -10.078 -5.499 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.128 -10.964 -6.152 1.00 0.00 C ATOM 0 H TRP A 79 5.139 -9.853 1.196 1.00 0.00 H new ATOM 0 HA TRP A 79 3.382 -12.044 0.629 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.386 -9.789 -0.503 1.00 0.00 H new ATOM 0 HB3 TRP A 79 4.918 -10.204 -1.247 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.041 -12.772 -0.954 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.223 -13.412 -3.323 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.795 -9.401 -3.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.717 -12.557 -5.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.571 -9.374 -6.081 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.046 -10.928 -7.228 1.00 0.00 H new ATOM 1240 N LYS A 80 6.569 -12.283 -0.158 1.00 0.00 N ATOM 1241 CA LYS A 80 7.612 -13.219 -0.561 1.00 0.00 C ATOM 1242 C LYS A 80 7.466 -14.547 0.175 1.00 0.00 C ATOM 1243 O LYS A 80 7.336 -15.601 -0.448 1.00 0.00 O ATOM 1244 CB LYS A 80 8.995 -12.622 -0.289 1.00 0.00 C ATOM 1245 CG LYS A 80 9.262 -11.335 -1.049 1.00 0.00 C ATOM 1246 CD LYS A 80 10.751 -11.094 -1.232 1.00 0.00 C ATOM 1247 CE LYS A 80 11.334 -10.300 -0.073 1.00 0.00 C ATOM 1248 NZ LYS A 80 11.068 -8.841 -0.211 1.00 0.00 N ATOM 0 H LYS A 80 6.910 -11.357 0.101 1.00 0.00 H new ATOM 0 HA LYS A 80 7.506 -13.403 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.095 -12.431 0.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.757 -13.355 -0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.777 -11.380 -2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.820 -10.496 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.268 -12.050 -1.316 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.922 -10.557 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.909 -10.660 0.864 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.409 -10.470 -0.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.451 -8.339 0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.524 -8.485 -1.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.042 -8.679 -0.269 1.00 0.00 H new ATOM 1262 N ARG A 81 7.488 -14.488 1.502 1.00 0.00 N ATOM 1263 CA ARG A 81 7.357 -15.686 2.322 1.00 0.00 C ATOM 1264 C ARG A 81 6.035 -16.395 2.043 1.00 0.00 C ATOM 1265 O ARG A 81 5.963 -17.623 2.056 1.00 0.00 O ATOM 1266 CB ARG A 81 7.452 -15.327 3.806 1.00 0.00 C ATOM 1267 CG ARG A 81 8.784 -14.709 4.200 1.00 0.00 C ATOM 1268 CD ARG A 81 8.643 -13.810 5.418 1.00 0.00 C ATOM 1269 NE ARG A 81 9.787 -12.917 5.575 1.00 0.00 N ATOM 1270 CZ ARG A 81 9.980 -12.150 6.642 1.00 0.00 C ATOM 1271 NH1 ARG A 81 9.109 -12.167 7.641 1.00 0.00 N ATOM 1272 NH2 ARG A 81 11.047 -11.363 6.711 1.00 0.00 N ATOM 0 H ARG A 81 7.595 -13.623 2.032 1.00 0.00 H new ATOM 0 HA ARG A 81 8.173 -16.362 2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.651 -14.631 4.055 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.289 -16.226 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.505 -15.499 4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.180 -14.132 3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.732 -13.219 5.329 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.538 -14.425 6.312 1.00 0.00 H new ATOM 0 HE ARG A 81 10.476 -12.880 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.288 -12.770 7.592 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.260 -11.577 8.459 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.719 -11.347 5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.194 -10.774 7.531 1.00 0.00 H new