USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 18 THR OG1 : rot -65:sc= 0.513 USER MOD Set 1.2: A 19 ASN : amide:sc= 1.04 K(o=1.5,f=0.12) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= -3.13! USER MOD Single : A 11 THR OG1 : rot -178:sc= 2.14 USER MOD Single : A 15 TYR OH : rot -119:sc= 0.912 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.622 USER MOD Single : A 32 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.24) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0147 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -103:sc= 0.457 USER MOD Single : A 45 LYS NZ :NH3+ -127:sc= 1.11 (180deg=-0.322) USER MOD Single : A 49 ASN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.104 (180deg=-0.502) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 GLN : amide:sc= 1.53 K(o=1.5,f=-0.53) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N GLU A 7 -10.170 2.733 -2.385 1.00 0.00 N ATOM 77 CA GLU A 7 -9.367 2.681 -1.208 1.00 0.00 C ATOM 78 C GLU A 7 -7.999 3.272 -1.534 1.00 0.00 C ATOM 79 O GLU A 7 -7.233 2.690 -2.296 1.00 0.00 O ATOM 80 CB GLU A 7 -9.226 1.230 -0.735 1.00 0.00 C ATOM 81 CG GLU A 7 -10.532 0.445 -0.607 1.00 0.00 C ATOM 82 CD GLU A 7 -11.534 1.043 0.335 1.00 0.00 C ATOM 83 OE1 GLU A 7 -11.472 0.767 1.546 1.00 0.00 O ATOM 84 OE2 GLU A 7 -12.435 1.769 -0.127 1.00 0.00 O ATOM 0 HA GLU A 7 -9.834 3.254 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.573 0.702 -1.430 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.727 1.230 0.234 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -10.987 0.360 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.300 -0.567 -0.275 1.00 0.00 H new ATOM 91 N TYR A 8 -7.722 4.448 -1.025 1.00 0.00 N ATOM 92 CA TYR A 8 -6.433 5.073 -1.260 1.00 0.00 C ATOM 93 C TYR A 8 -5.778 5.339 0.062 1.00 0.00 C ATOM 94 O TYR A 8 -6.447 5.759 1.027 1.00 0.00 O ATOM 95 CB TYR A 8 -6.559 6.401 -2.027 1.00 0.00 C ATOM 96 CG TYR A 8 -7.403 6.330 -3.278 1.00 0.00 C ATOM 97 CD1 TYR A 8 -6.909 5.760 -4.440 1.00 0.00 C ATOM 98 CD2 TYR A 8 -8.698 6.835 -3.294 1.00 0.00 C ATOM 99 CE1 TYR A 8 -7.680 5.691 -5.579 1.00 0.00 C ATOM 100 CE2 TYR A 8 -9.476 6.770 -4.431 1.00 0.00 C ATOM 101 CZ TYR A 8 -8.963 6.197 -5.570 1.00 0.00 C ATOM 102 OH TYR A 8 -9.734 6.120 -6.710 1.00 0.00 O ATOM 0 H TYR A 8 -8.364 4.992 -0.449 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.838 4.392 -1.869 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.984 7.151 -1.360 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.561 6.745 -2.298 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.904 5.364 -4.453 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.102 7.286 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.281 5.242 -6.477 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -10.481 7.166 -4.426 1.00 0.00 H new ATOM 0 HH TYR A 8 -10.612 6.520 -6.539 1.00 0.00 H new ATOM 112 N CYS A 9 -4.512 5.098 0.133 1.00 0.00 N ATOM 113 CA CYS A 9 -3.770 5.330 1.334 1.00 0.00 C ATOM 114 C CYS A 9 -2.580 6.234 1.065 1.00 0.00 C ATOM 115 O CYS A 9 -1.971 6.162 -0.005 1.00 0.00 O ATOM 116 CB CYS A 9 -3.349 3.993 1.964 1.00 0.00 C ATOM 117 SG CYS A 9 -2.539 2.845 0.828 1.00 0.00 S ATOM 0 H CYS A 9 -3.957 4.733 -0.641 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.407 5.847 2.052 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.675 4.195 2.796 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.233 3.509 2.380 1.00 0.00 H new ATOM 0 HG CYS A 9 -2.226 1.755 1.463 1.00 0.00 H new ATOM 123 N ARG A 10 -2.286 7.114 1.999 1.00 0.00 N ATOM 124 CA ARG A 10 -1.144 7.981 1.872 1.00 0.00 C ATOM 125 C ARG A 10 -0.065 7.402 2.741 1.00 0.00 C ATOM 126 O ARG A 10 -0.340 6.978 3.872 1.00 0.00 O ATOM 127 CB ARG A 10 -1.445 9.412 2.335 1.00 0.00 C ATOM 128 CG ARG A 10 -0.387 10.425 1.887 1.00 0.00 C ATOM 129 CD ARG A 10 -0.576 11.779 2.540 1.00 0.00 C ATOM 130 NE ARG A 10 -0.165 11.759 3.946 1.00 0.00 N ATOM 131 CZ ARG A 10 -0.733 12.446 4.943 1.00 0.00 C ATOM 132 NH1 ARG A 10 -1.803 13.187 4.730 1.00 0.00 N ATOM 133 NH2 ARG A 10 -0.202 12.388 6.153 1.00 0.00 N ATOM 0 H ARG A 10 -2.826 7.244 2.854 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.851 8.040 0.824 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.417 9.716 1.947 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.517 9.428 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.605 10.043 2.129 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.430 10.537 0.804 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.004 12.528 2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.623 12.075 2.470 1.00 0.00 H new ATOM 0 HE ARG A 10 0.629 11.166 4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.208 13.241 3.795 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.226 13.706 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.632 11.824 6.318 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.626 12.908 6.921 1.00 0.00 H new ATOM 147 N THR A 11 1.117 7.355 2.240 1.00 0.00 N ATOM 148 CA THR A 11 2.208 6.779 2.959 1.00 0.00 C ATOM 149 C THR A 11 2.738 7.729 4.039 1.00 0.00 C ATOM 150 O THR A 11 3.019 8.916 3.776 1.00 0.00 O ATOM 151 CB THR A 11 3.304 6.358 1.985 1.00 0.00 C ATOM 152 OG1 THR A 11 3.713 7.485 1.218 1.00 0.00 O ATOM 153 CG2 THR A 11 2.757 5.314 1.037 1.00 0.00 C ATOM 0 H THR A 11 1.361 7.715 1.317 1.00 0.00 H new ATOM 0 HA THR A 11 1.851 5.890 3.479 1.00 0.00 H new ATOM 0 HB THR A 11 4.148 5.956 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.400 7.211 0.575 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.538 5.011 0.340 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.422 4.447 1.605 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.917 5.731 0.482 1.00 0.00 H new ATOM 161 N LEU A 12 2.847 7.214 5.245 1.00 0.00 N ATOM 162 CA LEU A 12 3.286 7.987 6.394 1.00 0.00 C ATOM 163 C LEU A 12 4.745 7.735 6.661 1.00 0.00 C ATOM 164 O LEU A 12 5.395 8.495 7.369 1.00 0.00 O ATOM 165 CB LEU A 12 2.493 7.576 7.636 1.00 0.00 C ATOM 166 CG LEU A 12 0.990 7.823 7.615 1.00 0.00 C ATOM 167 CD1 LEU A 12 0.356 7.240 8.858 1.00 0.00 C ATOM 168 CD2 LEU A 12 0.692 9.310 7.528 1.00 0.00 C ATOM 0 H LEU A 12 2.633 6.240 5.460 1.00 0.00 H new ATOM 0 HA LEU A 12 3.123 9.043 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.658 6.512 7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.910 8.104 8.493 1.00 0.00 H new ATOM 0 HG LEU A 12 0.570 7.336 6.735 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.719 7.420 8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.544 6.167 8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.786 7.712 9.741 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.387 9.465 7.514 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.120 9.818 8.392 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.128 9.716 6.615 1.00 0.00 H new ATOM 180 N PHE A 13 5.243 6.662 6.115 1.00 0.00 N ATOM 181 CA PHE A 13 6.612 6.267 6.285 1.00 0.00 C ATOM 182 C PHE A 13 7.091 5.688 4.976 1.00 0.00 C ATOM 183 O PHE A 13 6.302 5.075 4.257 1.00 0.00 O ATOM 184 CB PHE A 13 6.739 5.173 7.377 1.00 0.00 C ATOM 185 CG PHE A 13 6.308 5.560 8.773 1.00 0.00 C ATOM 186 CD1 PHE A 13 4.994 5.387 9.187 1.00 0.00 C ATOM 187 CD2 PHE A 13 7.219 6.077 9.673 1.00 0.00 C ATOM 188 CE1 PHE A 13 4.604 5.723 10.467 1.00 0.00 C ATOM 189 CE2 PHE A 13 6.834 6.416 10.955 1.00 0.00 C ATOM 190 CZ PHE A 13 5.525 6.242 11.352 1.00 0.00 C ATOM 0 H PHE A 13 4.700 6.027 5.530 1.00 0.00 H new ATOM 0 HA PHE A 13 7.202 7.133 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 13 6.151 4.310 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.780 4.851 7.418 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.267 4.984 8.497 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.246 6.218 9.370 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.579 5.580 10.775 1.00 0.00 H new ATOM 0 HE2 PHE A 13 7.559 6.818 11.647 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.222 6.511 12.353 1.00 0.00 H new ATOM 200 N PRO A 14 8.352 5.915 4.607 1.00 0.00 N ATOM 201 CA PRO A 14 8.934 5.283 3.440 1.00 0.00 C ATOM 202 C PRO A 14 9.226 3.808 3.738 1.00 0.00 C ATOM 203 O PRO A 14 9.645 3.454 4.858 1.00 0.00 O ATOM 204 CB PRO A 14 10.236 6.062 3.211 1.00 0.00 C ATOM 205 CG PRO A 14 10.595 6.612 4.550 1.00 0.00 C ATOM 206 CD PRO A 14 9.297 6.828 5.280 1.00 0.00 C ATOM 0 HA PRO A 14 8.280 5.302 2.568 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.023 5.412 2.827 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.096 6.859 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.237 5.920 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.146 7.547 4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 14 9.392 6.594 6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.968 7.865 5.211 1.00 0.00 H new ATOM 214 N TYR A 15 9.008 2.963 2.778 1.00 0.00 N ATOM 215 CA TYR A 15 9.210 1.554 2.956 1.00 0.00 C ATOM 216 C TYR A 15 9.896 0.980 1.744 1.00 0.00 C ATOM 217 O TYR A 15 9.456 1.190 0.601 1.00 0.00 O ATOM 218 CB TYR A 15 7.879 0.843 3.219 1.00 0.00 C ATOM 219 CG TYR A 15 7.994 -0.652 3.414 1.00 0.00 C ATOM 220 CD1 TYR A 15 8.449 -1.177 4.610 1.00 0.00 C ATOM 221 CD2 TYR A 15 7.652 -1.535 2.399 1.00 0.00 C ATOM 222 CE1 TYR A 15 8.565 -2.536 4.793 1.00 0.00 C ATOM 223 CE2 TYR A 15 7.766 -2.894 2.575 1.00 0.00 C ATOM 224 CZ TYR A 15 8.223 -3.389 3.775 1.00 0.00 C ATOM 225 OH TYR A 15 8.338 -4.745 3.956 1.00 0.00 O ATOM 0 H TYR A 15 8.685 3.228 1.848 1.00 0.00 H new ATOM 0 HA TYR A 15 9.847 1.397 3.826 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.418 1.278 4.106 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.207 1.037 2.383 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.718 -0.509 5.415 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.291 -1.149 1.457 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.923 -2.929 5.733 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.498 -3.569 1.776 1.00 0.00 H new ATOM 0 HH TYR A 15 8.972 -5.110 3.304 1.00 0.00 H new ATOM 235 N THR A 16 10.956 0.273 1.983 1.00 0.00 N ATOM 236 CA THR A 16 11.709 -0.319 0.939 1.00 0.00 C ATOM 237 C THR A 16 11.359 -1.798 0.828 1.00 0.00 C ATOM 238 O THR A 16 11.535 -2.557 1.786 1.00 0.00 O ATOM 239 CB THR A 16 13.211 -0.133 1.207 1.00 0.00 C ATOM 240 OG1 THR A 16 13.452 1.257 1.483 1.00 0.00 O ATOM 241 CG2 THR A 16 14.034 -0.548 -0.008 1.00 0.00 C ATOM 0 H THR A 16 11.320 0.093 2.919 1.00 0.00 H new ATOM 0 HA THR A 16 11.466 0.167 -0.006 1.00 0.00 H new ATOM 0 HB THR A 16 13.504 -0.756 2.052 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.406 1.395 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.094 -0.408 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.845 -1.597 -0.234 1.00 0.00 H new ATOM 0 HG23 THR A 16 13.752 0.064 -0.865 1.00 0.00 H new ATOM 249 N GLY A 17 10.825 -2.187 -0.312 1.00 0.00 N ATOM 250 CA GLY A 17 10.494 -3.557 -0.533 1.00 0.00 C ATOM 251 C GLY A 17 11.740 -4.388 -0.661 1.00 0.00 C ATOM 252 O GLY A 17 12.629 -4.074 -1.479 1.00 0.00 O ATOM 0 H GLY A 17 10.616 -1.564 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.886 -3.928 0.292 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.894 -3.650 -1.438 1.00 0.00 H new ATOM 256 N THR A 18 11.828 -5.419 0.142 1.00 0.00 N ATOM 257 CA THR A 18 12.976 -6.298 0.145 1.00 0.00 C ATOM 258 C THR A 18 12.818 -7.303 -0.974 1.00 0.00 C ATOM 259 O THR A 18 13.771 -7.885 -1.483 1.00 0.00 O ATOM 260 CB THR A 18 13.119 -7.001 1.515 1.00 0.00 C ATOM 261 OG1 THR A 18 11.879 -7.644 1.880 1.00 0.00 O ATOM 262 CG2 THR A 18 13.490 -5.995 2.587 1.00 0.00 C ATOM 0 H THR A 18 11.105 -5.675 0.814 1.00 0.00 H new ATOM 0 HA THR A 18 13.886 -5.721 -0.018 1.00 0.00 H new ATOM 0 HB THR A 18 13.906 -7.750 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.185 -6.965 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.587 -6.504 3.546 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.438 -5.522 2.330 1.00 0.00 H new ATOM 0 HG23 THR A 18 12.712 -5.235 2.657 1.00 0.00 H new ATOM 270 N ASN A 19 11.597 -7.435 -1.371 1.00 0.00 N ATOM 271 CA ASN A 19 11.178 -8.265 -2.445 1.00 0.00 C ATOM 272 C ASN A 19 10.632 -7.326 -3.491 1.00 0.00 C ATOM 273 O ASN A 19 10.323 -6.187 -3.163 1.00 0.00 O ATOM 274 CB ASN A 19 10.049 -9.186 -1.967 1.00 0.00 C ATOM 275 CG ASN A 19 10.456 -10.220 -0.929 1.00 0.00 C ATOM 276 OD1 ASN A 19 10.863 -11.333 -1.273 1.00 0.00 O ATOM 277 ND2 ASN A 19 10.301 -9.900 0.336 1.00 0.00 N ATOM 0 H ASN A 19 10.824 -6.938 -0.929 1.00 0.00 H new ATOM 0 HA ASN A 19 11.993 -8.881 -2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.251 -8.571 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.634 -9.705 -2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.519 -10.580 1.064 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.963 -8.972 0.589 1.00 0.00 H new ATOM 284 N GLU A 20 10.502 -7.754 -4.722 1.00 0.00 N ATOM 285 CA GLU A 20 9.916 -6.876 -5.731 1.00 0.00 C ATOM 286 C GLU A 20 8.410 -7.004 -5.701 1.00 0.00 C ATOM 287 O GLU A 20 7.684 -6.118 -6.142 1.00 0.00 O ATOM 288 CB GLU A 20 10.461 -7.144 -7.117 1.00 0.00 C ATOM 289 CG GLU A 20 11.950 -6.902 -7.240 1.00 0.00 C ATOM 290 CD GLU A 20 12.436 -7.066 -8.648 1.00 0.00 C ATOM 291 OE1 GLU A 20 12.805 -8.206 -9.033 1.00 0.00 O ATOM 292 OE2 GLU A 20 12.458 -6.062 -9.394 1.00 0.00 O ATOM 0 H GLU A 20 10.782 -8.677 -5.054 1.00 0.00 H new ATOM 0 HA GLU A 20 10.195 -5.851 -5.487 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.246 -8.177 -7.389 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.938 -6.510 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.183 -5.896 -6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.484 -7.595 -6.590 1.00 0.00 H new ATOM 299 N ASP A 21 7.949 -8.107 -5.127 1.00 0.00 N ATOM 300 CA ASP A 21 6.515 -8.348 -4.909 1.00 0.00 C ATOM 301 C ASP A 21 6.070 -7.584 -3.675 1.00 0.00 C ATOM 302 O ASP A 21 4.903 -7.556 -3.309 1.00 0.00 O ATOM 303 CB ASP A 21 6.219 -9.846 -4.746 1.00 0.00 C ATOM 304 CG ASP A 21 6.446 -10.640 -6.012 1.00 0.00 C ATOM 305 OD1 ASP A 21 7.591 -11.058 -6.274 1.00 0.00 O ATOM 306 OD2 ASP A 21 5.479 -10.857 -6.785 1.00 0.00 O ATOM 0 H ASP A 21 8.550 -8.862 -4.798 1.00 0.00 H new ATOM 0 HA ASP A 21 5.961 -7.999 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.849 -10.250 -3.954 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.185 -9.973 -4.426 1.00 0.00 H new ATOM 311 N GLU A 22 7.028 -6.965 -3.061 1.00 0.00 N ATOM 312 CA GLU A 22 6.859 -6.136 -1.925 1.00 0.00 C ATOM 313 C GLU A 22 7.064 -4.733 -2.472 1.00 0.00 C ATOM 314 O GLU A 22 8.066 -4.462 -3.153 1.00 0.00 O ATOM 315 CB GLU A 22 7.915 -6.545 -0.910 1.00 0.00 C ATOM 316 CG GLU A 22 7.828 -5.951 0.463 1.00 0.00 C ATOM 317 CD GLU A 22 8.868 -6.580 1.361 1.00 0.00 C ATOM 318 OE1 GLU A 22 8.871 -7.806 1.495 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.746 -5.871 1.892 1.00 0.00 O ATOM 0 H GLU A 22 8.001 -7.033 -3.361 1.00 0.00 H new ATOM 0 HA GLU A 22 5.894 -6.206 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.881 -7.630 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.892 -6.294 -1.323 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.982 -4.873 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 22 6.832 -6.112 0.876 1.00 0.00 H new ATOM 326 N LEU A 23 6.131 -3.874 -2.246 1.00 0.00 N ATOM 327 CA LEU A 23 6.119 -2.621 -2.949 1.00 0.00 C ATOM 328 C LEU A 23 6.966 -1.569 -2.236 1.00 0.00 C ATOM 329 O LEU A 23 6.914 -1.430 -1.020 1.00 0.00 O ATOM 330 CB LEU A 23 4.653 -2.185 -3.201 1.00 0.00 C ATOM 331 CG LEU A 23 4.380 -1.121 -4.286 1.00 0.00 C ATOM 332 CD1 LEU A 23 4.725 0.275 -3.818 1.00 0.00 C ATOM 333 CD2 LEU A 23 5.138 -1.446 -5.568 1.00 0.00 C ATOM 0 H LEU A 23 5.366 -4.007 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 23 6.590 -2.742 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.081 -3.076 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.252 -1.810 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 23 3.309 -1.146 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.516 0.988 -4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.125 0.524 -2.942 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.783 0.321 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.930 -0.682 -6.317 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.208 -1.470 -5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.819 -2.419 -5.943 1.00 0.00 H new ATOM 345 N THR A 24 7.760 -0.858 -3.010 1.00 0.00 N ATOM 346 CA THR A 24 8.634 0.156 -2.478 1.00 0.00 C ATOM 347 C THR A 24 8.024 1.538 -2.679 1.00 0.00 C ATOM 348 O THR A 24 7.772 1.970 -3.817 1.00 0.00 O ATOM 349 CB THR A 24 9.997 0.081 -3.186 1.00 0.00 C ATOM 350 OG1 THR A 24 10.549 -1.237 -3.008 1.00 0.00 O ATOM 351 CG2 THR A 24 10.967 1.137 -2.657 1.00 0.00 C ATOM 0 H THR A 24 7.814 -0.970 -4.022 1.00 0.00 H new ATOM 0 HA THR A 24 8.768 -0.015 -1.410 1.00 0.00 H new ATOM 0 HB THR A 24 9.847 0.281 -4.247 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.417 -1.292 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 24 11.919 1.052 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 24 10.549 2.130 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.126 0.983 -1.590 1.00 0.00 H new ATOM 359 N PHE A 25 7.798 2.219 -1.594 1.00 0.00 N ATOM 360 CA PHE A 25 7.223 3.528 -1.624 1.00 0.00 C ATOM 361 C PHE A 25 7.954 4.481 -0.709 1.00 0.00 C ATOM 362 O PHE A 25 8.549 4.069 0.285 1.00 0.00 O ATOM 363 CB PHE A 25 5.725 3.490 -1.300 1.00 0.00 C ATOM 364 CG PHE A 25 5.358 2.752 -0.043 1.00 0.00 C ATOM 365 CD1 PHE A 25 5.428 3.365 1.192 1.00 0.00 C ATOM 366 CD2 PHE A 25 4.920 1.447 -0.111 1.00 0.00 C ATOM 367 CE1 PHE A 25 5.070 2.691 2.333 1.00 0.00 C ATOM 368 CE2 PHE A 25 4.558 0.769 1.023 1.00 0.00 C ATOM 369 CZ PHE A 25 4.630 1.387 2.248 1.00 0.00 C ATOM 0 H PHE A 25 8.010 1.877 -0.657 1.00 0.00 H new ATOM 0 HA PHE A 25 7.333 3.903 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.361 4.514 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.200 3.031 -2.138 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.769 4.388 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.861 0.953 -1.070 1.00 0.00 H new ATOM 0 HE1 PHE A 25 5.133 3.180 3.294 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.215 -0.253 0.954 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.343 0.853 3.142 1.00 0.00 H new ATOM 379 N ARG A 26 7.922 5.731 -1.046 1.00 0.00 N ATOM 380 CA ARG A 26 8.466 6.757 -0.196 1.00 0.00 C ATOM 381 C ARG A 26 7.301 7.400 0.559 1.00 0.00 C ATOM 382 O ARG A 26 6.148 7.009 0.355 1.00 0.00 O ATOM 383 CB ARG A 26 9.222 7.794 -1.032 1.00 0.00 C ATOM 384 CG ARG A 26 8.354 8.518 -2.028 1.00 0.00 C ATOM 385 CD ARG A 26 9.157 9.441 -2.895 1.00 0.00 C ATOM 386 NE ARG A 26 8.325 10.058 -3.917 1.00 0.00 N ATOM 387 CZ ARG A 26 8.756 10.476 -5.099 1.00 0.00 C ATOM 388 NH1 ARG A 26 10.042 10.334 -5.435 1.00 0.00 N ATOM 389 NH2 ARG A 26 7.898 11.024 -5.956 1.00 0.00 N ATOM 0 H ARG A 26 7.519 6.076 -1.917 1.00 0.00 H new ATOM 0 HA ARG A 26 9.178 6.333 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 26 9.679 8.524 -0.363 1.00 0.00 H new ATOM 0 HB3 ARG A 26 10.033 7.297 -1.564 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.834 7.792 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.590 9.088 -1.499 1.00 0.00 H new ATOM 0 HD2 ARG A 26 9.616 10.215 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 26 9.968 8.887 -3.368 1.00 0.00 H new ATOM 0 HE ARG A 26 7.334 10.178 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 26 10.695 9.903 -4.781 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.370 10.657 -6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.915 11.121 -5.702 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.224 11.348 -6.867 1.00 0.00 H new ATOM 403 N GLU A 27 7.583 8.357 1.399 1.00 0.00 N ATOM 404 CA GLU A 27 6.565 9.035 2.170 1.00 0.00 C ATOM 405 C GLU A 27 5.885 10.096 1.291 1.00 0.00 C ATOM 406 O GLU A 27 6.550 10.752 0.483 1.00 0.00 O ATOM 407 CB GLU A 27 7.219 9.699 3.381 1.00 0.00 C ATOM 408 CG GLU A 27 6.257 10.306 4.376 1.00 0.00 C ATOM 409 CD GLU A 27 6.972 11.055 5.470 1.00 0.00 C ATOM 410 OE1 GLU A 27 7.678 10.442 6.267 1.00 0.00 O ATOM 411 OE2 GLU A 27 6.822 12.293 5.561 1.00 0.00 O ATOM 0 H GLU A 27 8.530 8.694 1.573 1.00 0.00 H new ATOM 0 HA GLU A 27 5.815 8.321 2.510 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.831 8.958 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 27 7.893 10.479 3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.579 10.983 3.857 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.646 9.518 4.816 1.00 0.00 H new ATOM 418 N GLY A 28 4.576 10.219 1.419 1.00 0.00 N ATOM 419 CA GLY A 28 3.846 11.236 0.684 1.00 0.00 C ATOM 420 C GLY A 28 3.222 10.716 -0.597 1.00 0.00 C ATOM 421 O GLY A 28 2.711 11.492 -1.403 1.00 0.00 O ATOM 0 H GLY A 28 4.000 9.631 2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.062 11.644 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.522 12.057 0.444 1.00 0.00 H new ATOM 425 N GLU A 29 3.230 9.417 -0.775 1.00 0.00 N ATOM 426 CA GLU A 29 2.687 8.815 -1.978 1.00 0.00 C ATOM 427 C GLU A 29 1.256 8.382 -1.747 1.00 0.00 C ATOM 428 O GLU A 29 0.843 8.159 -0.597 1.00 0.00 O ATOM 429 CB GLU A 29 3.514 7.605 -2.420 1.00 0.00 C ATOM 430 CG GLU A 29 4.956 7.915 -2.775 1.00 0.00 C ATOM 431 CD GLU A 29 5.086 8.953 -3.866 1.00 0.00 C ATOM 432 OE1 GLU A 29 4.638 8.701 -5.011 1.00 0.00 O ATOM 433 OE2 GLU A 29 5.673 10.013 -3.618 1.00 0.00 O ATOM 0 H GLU A 29 3.607 8.750 -0.101 1.00 0.00 H new ATOM 0 HA GLU A 29 2.723 9.567 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.503 6.864 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.032 7.149 -3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.476 8.266 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.451 6.998 -3.093 1.00 0.00 H new ATOM 440 N ILE A 30 0.508 8.269 -2.820 1.00 0.00 N ATOM 441 CA ILE A 30 -0.863 7.826 -2.764 1.00 0.00 C ATOM 442 C ILE A 30 -0.933 6.449 -3.393 1.00 0.00 C ATOM 443 O ILE A 30 -0.654 6.279 -4.593 1.00 0.00 O ATOM 444 CB ILE A 30 -1.815 8.782 -3.533 1.00 0.00 C ATOM 445 CG1 ILE A 30 -1.668 10.233 -3.036 1.00 0.00 C ATOM 446 CG2 ILE A 30 -3.271 8.319 -3.417 1.00 0.00 C ATOM 447 CD1 ILE A 30 -2.012 10.445 -1.576 1.00 0.00 C ATOM 0 H ILE A 30 0.837 8.484 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.183 7.810 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.530 8.754 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.641 10.556 -3.203 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.307 10.876 -3.642 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.916 9.006 -3.965 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.369 7.318 -3.836 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.565 8.303 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.878 11.496 -1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.049 10.158 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.357 9.834 -0.955 1.00 0.00 H new ATOM 459 N ILE A 31 -1.285 5.486 -2.614 1.00 0.00 N ATOM 460 CA ILE A 31 -1.332 4.130 -3.083 1.00 0.00 C ATOM 461 C ILE A 31 -2.762 3.752 -3.363 1.00 0.00 C ATOM 462 O ILE A 31 -3.660 4.010 -2.539 1.00 0.00 O ATOM 463 CB ILE A 31 -0.700 3.126 -2.070 1.00 0.00 C ATOM 464 CG1 ILE A 31 0.772 3.479 -1.813 1.00 0.00 C ATOM 465 CG2 ILE A 31 -0.821 1.681 -2.577 1.00 0.00 C ATOM 466 CD1 ILE A 31 1.467 2.552 -0.833 1.00 0.00 C ATOM 0 H ILE A 31 -1.549 5.607 -1.636 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.740 4.072 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.249 3.204 -1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.310 3.459 -2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.830 4.500 -1.435 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.372 1.002 -1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.873 1.428 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.303 1.586 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.502 2.868 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.955 2.589 0.129 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.443 1.532 -1.217 1.00 0.00 H new ATOM 478 N HIS A 32 -2.977 3.184 -4.514 1.00 0.00 N ATOM 479 CA HIS A 32 -4.275 2.744 -4.918 1.00 0.00 C ATOM 480 C HIS A 32 -4.393 1.312 -4.461 1.00 0.00 C ATOM 481 O HIS A 32 -3.778 0.411 -5.034 1.00 0.00 O ATOM 482 CB HIS A 32 -4.439 2.871 -6.452 1.00 0.00 C ATOM 483 CG HIS A 32 -4.271 4.286 -6.990 1.00 0.00 C ATOM 484 ND1 HIS A 32 -5.161 4.905 -7.844 1.00 0.00 N ATOM 485 CD2 HIS A 32 -3.260 5.182 -6.808 1.00 0.00 C ATOM 486 CE1 HIS A 32 -4.674 6.117 -8.141 1.00 0.00 C ATOM 487 NE2 HIS A 32 -3.519 6.334 -7.536 1.00 0.00 N ATOM 0 H HIS A 32 -2.246 3.013 -5.204 1.00 0.00 H new ATOM 0 HA HIS A 32 -5.064 3.354 -4.477 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.710 2.222 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.427 2.505 -6.731 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -2.389 5.020 -6.190 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.163 6.827 -8.792 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.940 7.172 -7.593 1.00 0.00 H new ATOM 495 N LEU A 33 -5.107 1.123 -3.388 1.00 0.00 N ATOM 496 CA LEU A 33 -5.206 -0.153 -2.735 1.00 0.00 C ATOM 497 C LEU A 33 -5.985 -1.136 -3.594 1.00 0.00 C ATOM 498 O LEU A 33 -7.028 -0.804 -4.167 1.00 0.00 O ATOM 499 CB LEU A 33 -5.806 0.060 -1.321 1.00 0.00 C ATOM 500 CG LEU A 33 -5.975 -1.133 -0.355 1.00 0.00 C ATOM 501 CD1 LEU A 33 -6.260 -0.591 1.020 1.00 0.00 C ATOM 502 CD2 LEU A 33 -7.140 -2.029 -0.744 1.00 0.00 C ATOM 0 H LEU A 33 -5.645 1.862 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.221 -0.602 -2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.184 0.798 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.790 0.509 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.058 -1.722 -0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.383 -1.418 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.429 0.037 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.174 0.002 0.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.218 -2.853 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.064 -1.451 -0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.975 -2.426 -1.745 1.00 0.00 H new ATOM 514 N ILE A 34 -5.444 -2.323 -3.693 1.00 0.00 N ATOM 515 CA ILE A 34 -6.018 -3.389 -4.475 1.00 0.00 C ATOM 516 C ILE A 34 -6.738 -4.346 -3.530 1.00 0.00 C ATOM 517 O ILE A 34 -7.924 -4.649 -3.696 1.00 0.00 O ATOM 518 CB ILE A 34 -4.896 -4.157 -5.258 1.00 0.00 C ATOM 519 CG1 ILE A 34 -4.114 -3.208 -6.188 1.00 0.00 C ATOM 520 CG2 ILE A 34 -5.455 -5.337 -6.050 1.00 0.00 C ATOM 521 CD1 ILE A 34 -4.955 -2.532 -7.251 1.00 0.00 C ATOM 0 H ILE A 34 -4.576 -2.581 -3.224 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.720 -2.976 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.208 -4.555 -4.512 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.633 -2.441 -5.581 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.320 -3.772 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.643 -5.839 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.934 -6.039 -5.368 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.187 -4.976 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.323 -1.884 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.415 -3.289 -7.887 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.734 -1.936 -6.775 1.00 0.00 H new ATOM 533 N SER A 35 -6.035 -4.769 -2.503 1.00 0.00 N ATOM 534 CA SER A 35 -6.564 -5.707 -1.548 1.00 0.00 C ATOM 535 C SER A 35 -5.995 -5.409 -0.163 1.00 0.00 C ATOM 536 O SER A 35 -4.833 -5.024 -0.041 1.00 0.00 O ATOM 537 CB SER A 35 -6.155 -7.129 -1.961 1.00 0.00 C ATOM 538 OG SER A 35 -6.525 -7.405 -3.306 1.00 0.00 O ATOM 0 H SER A 35 -5.079 -4.470 -2.309 1.00 0.00 H new ATOM 0 HA SER A 35 -7.650 -5.622 -1.521 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.077 -7.247 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.627 -7.853 -1.296 1.00 0.00 H new ATOM 0 HG SER A 35 -6.250 -8.316 -3.540 1.00 0.00 H new ATOM 544 N LYS A 36 -6.810 -5.544 0.860 1.00 0.00 N ATOM 545 CA LYS A 36 -6.310 -5.438 2.222 1.00 0.00 C ATOM 546 C LYS A 36 -5.927 -6.813 2.705 1.00 0.00 C ATOM 547 O LYS A 36 -5.133 -6.968 3.619 1.00 0.00 O ATOM 548 CB LYS A 36 -7.327 -4.842 3.206 1.00 0.00 C ATOM 549 CG LYS A 36 -7.645 -3.361 3.032 1.00 0.00 C ATOM 550 CD LYS A 36 -8.461 -2.820 4.209 1.00 0.00 C ATOM 551 CE LYS A 36 -9.726 -3.629 4.485 1.00 0.00 C ATOM 552 NZ LYS A 36 -10.470 -3.092 5.648 1.00 0.00 N ATOM 0 H LYS A 36 -7.811 -5.725 0.782 1.00 0.00 H new ATOM 0 HA LYS A 36 -5.457 -4.760 2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.257 -5.404 3.120 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.954 -4.996 4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.717 -2.797 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.199 -3.213 2.105 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.838 -2.815 5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.736 -1.785 4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.367 -3.616 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.461 -4.670 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.324 -3.664 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.865 -3.128 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.744 -2.107 5.460 1.00 0.00 H new ATOM 566 N GLU A 37 -6.508 -7.811 2.085 1.00 0.00 N ATOM 567 CA GLU A 37 -6.248 -9.166 2.455 1.00 0.00 C ATOM 568 C GLU A 37 -5.287 -9.781 1.468 1.00 0.00 C ATOM 569 O GLU A 37 -5.602 -9.937 0.288 1.00 0.00 O ATOM 570 CB GLU A 37 -7.538 -9.983 2.506 1.00 0.00 C ATOM 571 CG GLU A 37 -7.337 -11.407 3.008 1.00 0.00 C ATOM 572 CD GLU A 37 -8.595 -12.231 2.975 1.00 0.00 C ATOM 573 OE1 GLU A 37 -9.450 -12.081 3.876 1.00 0.00 O ATOM 574 OE2 GLU A 37 -8.734 -13.077 2.064 1.00 0.00 O ATOM 0 H GLU A 37 -7.169 -7.700 1.316 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.807 -9.173 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -8.254 -9.476 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.977 -10.016 1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.575 -11.895 2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.958 -11.375 4.030 1.00 0.00 H new ATOM 581 N THR A 38 -4.117 -10.069 1.937 1.00 0.00 N ATOM 582 CA THR A 38 -3.108 -10.730 1.159 1.00 0.00 C ATOM 583 C THR A 38 -2.978 -12.171 1.634 1.00 0.00 C ATOM 584 O THR A 38 -2.151 -12.948 1.145 1.00 0.00 O ATOM 585 CB THR A 38 -1.794 -10.007 1.390 1.00 0.00 C ATOM 586 OG1 THR A 38 -1.657 -9.789 2.805 1.00 0.00 O ATOM 587 CG2 THR A 38 -1.780 -8.683 0.660 1.00 0.00 C ATOM 0 H THR A 38 -3.825 -9.849 2.889 1.00 0.00 H new ATOM 0 HA THR A 38 -3.369 -10.720 0.101 1.00 0.00 H new ATOM 0 HB THR A 38 -0.966 -10.606 1.011 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.864 -8.854 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.830 -8.179 0.838 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.905 -8.856 -0.409 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.595 -8.058 1.024 1.00 0.00 H new ATOM 595 N GLY A 39 -3.815 -12.508 2.585 1.00 0.00 N ATOM 596 CA GLY A 39 -3.764 -13.778 3.234 1.00 0.00 C ATOM 597 C GLY A 39 -3.419 -13.569 4.679 1.00 0.00 C ATOM 598 O GLY A 39 -4.054 -14.127 5.567 1.00 0.00 O ATOM 0 H GLY A 39 -4.555 -11.896 2.927 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.724 -14.286 3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.020 -14.416 2.757 1.00 0.00 H new ATOM 602 N GLU A 40 -2.447 -12.706 4.911 1.00 0.00 N ATOM 603 CA GLU A 40 -2.031 -12.354 6.247 1.00 0.00 C ATOM 604 C GLU A 40 -2.665 -11.044 6.648 1.00 0.00 C ATOM 605 O GLU A 40 -2.682 -10.086 5.860 1.00 0.00 O ATOM 606 CB GLU A 40 -0.506 -12.218 6.343 1.00 0.00 C ATOM 607 CG GLU A 40 0.264 -13.502 6.117 1.00 0.00 C ATOM 608 CD GLU A 40 -0.136 -14.587 7.084 1.00 0.00 C ATOM 609 OE1 GLU A 40 0.233 -14.508 8.283 1.00 0.00 O ATOM 610 OE2 GLU A 40 -0.838 -15.533 6.680 1.00 0.00 O ATOM 0 H GLU A 40 -1.926 -12.231 4.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.351 -13.152 6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -0.175 -11.480 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.252 -11.828 7.329 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.097 -13.848 5.097 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.331 -13.305 6.217 1.00 0.00 H new ATOM 617 N ALA A 41 -3.192 -10.998 7.838 1.00 0.00 N ATOM 618 CA ALA A 41 -3.783 -9.790 8.356 1.00 0.00 C ATOM 619 C ALA A 41 -2.687 -8.839 8.818 1.00 0.00 C ATOM 620 O ALA A 41 -2.076 -9.042 9.877 1.00 0.00 O ATOM 621 CB ALA A 41 -4.740 -10.107 9.494 1.00 0.00 C ATOM 0 H ALA A 41 -3.226 -11.792 8.477 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.355 -9.307 7.564 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.176 -9.182 9.871 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.533 -10.760 9.131 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.198 -10.607 10.297 1.00 0.00 H new ATOM 627 N GLY A 42 -2.410 -7.846 8.005 1.00 0.00 N ATOM 628 CA GLY A 42 -1.380 -6.884 8.319 1.00 0.00 C ATOM 629 C GLY A 42 -0.692 -6.405 7.069 1.00 0.00 C ATOM 630 O GLY A 42 -0.169 -5.283 7.008 1.00 0.00 O ATOM 0 H GLY A 42 -2.886 -7.683 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.818 -6.036 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.649 -7.334 8.991 1.00 0.00 H new ATOM 634 N TRP A 43 -0.693 -7.253 6.069 1.00 0.00 N ATOM 635 CA TRP A 43 -0.115 -6.917 4.797 1.00 0.00 C ATOM 636 C TRP A 43 -1.205 -6.494 3.842 1.00 0.00 C ATOM 637 O TRP A 43 -2.194 -7.211 3.659 1.00 0.00 O ATOM 638 CB TRP A 43 0.652 -8.102 4.200 1.00 0.00 C ATOM 639 CG TRP A 43 1.880 -8.505 4.955 1.00 0.00 C ATOM 640 CD1 TRP A 43 1.944 -9.315 6.046 1.00 0.00 C ATOM 641 CD2 TRP A 43 3.227 -8.129 4.650 1.00 0.00 C ATOM 642 NE1 TRP A 43 3.245 -9.462 6.445 1.00 0.00 N ATOM 643 CE2 TRP A 43 4.054 -8.742 5.603 1.00 0.00 C ATOM 644 CE3 TRP A 43 3.814 -7.330 3.663 1.00 0.00 C ATOM 645 CZ2 TRP A 43 5.436 -8.582 5.600 1.00 0.00 C ATOM 646 CZ3 TRP A 43 5.184 -7.172 3.661 1.00 0.00 C ATOM 647 CH2 TRP A 43 5.982 -7.797 4.624 1.00 0.00 C ATOM 0 H TRP A 43 -1.093 -8.190 6.116 1.00 0.00 H new ATOM 0 HA TRP A 43 0.588 -6.098 4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.019 -8.959 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.937 -7.853 3.178 1.00 0.00 H new ATOM 0 HD1 TRP A 43 1.093 -9.775 6.527 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.562 -10.017 7.240 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.204 -6.845 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.056 -9.062 6.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.647 -6.556 2.904 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.052 -7.656 4.596 1.00 0.00 H new ATOM 658 N TRP A 44 -1.011 -5.366 3.241 1.00 0.00 N ATOM 659 CA TRP A 44 -1.916 -4.820 2.268 1.00 0.00 C ATOM 660 C TRP A 44 -1.285 -4.926 0.911 1.00 0.00 C ATOM 661 O TRP A 44 -0.073 -5.080 0.802 1.00 0.00 O ATOM 662 CB TRP A 44 -2.206 -3.345 2.563 1.00 0.00 C ATOM 663 CG TRP A 44 -3.256 -3.093 3.597 1.00 0.00 C ATOM 664 CD1 TRP A 44 -3.827 -3.993 4.447 1.00 0.00 C ATOM 665 CD2 TRP A 44 -3.878 -1.837 3.865 1.00 0.00 C ATOM 666 NE1 TRP A 44 -4.782 -3.372 5.212 1.00 0.00 N ATOM 667 CE2 TRP A 44 -4.826 -2.048 4.877 1.00 0.00 C ATOM 668 CE3 TRP A 44 -3.725 -0.550 3.344 1.00 0.00 C ATOM 669 CZ2 TRP A 44 -5.620 -1.026 5.373 1.00 0.00 C ATOM 670 CZ3 TRP A 44 -4.519 0.464 3.842 1.00 0.00 C ATOM 671 CH2 TRP A 44 -5.456 0.213 4.847 1.00 0.00 C ATOM 0 H TRP A 44 -0.196 -4.777 3.415 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.852 -5.377 2.306 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.281 -2.868 2.885 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.509 -2.859 1.636 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.566 -5.039 4.509 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.364 -3.825 5.916 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.001 -0.352 2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -6.345 -1.210 6.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.414 1.465 3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.065 1.026 5.214 1.00 0.00 H new ATOM 682 N LYS A 45 -2.087 -4.863 -0.107 1.00 0.00 N ATOM 683 CA LYS A 45 -1.607 -4.938 -1.450 1.00 0.00 C ATOM 684 C LYS A 45 -2.172 -3.760 -2.206 1.00 0.00 C ATOM 685 O LYS A 45 -3.392 -3.527 -2.202 1.00 0.00 O ATOM 686 CB LYS A 45 -2.051 -6.287 -2.053 1.00 0.00 C ATOM 687 CG LYS A 45 -1.573 -6.619 -3.466 1.00 0.00 C ATOM 688 CD LYS A 45 -1.731 -8.123 -3.699 1.00 0.00 C ATOM 689 CE LYS A 45 -1.372 -8.582 -5.114 1.00 0.00 C ATOM 690 NZ LYS A 45 -2.385 -8.200 -6.128 1.00 0.00 N ATOM 0 H LYS A 45 -3.098 -4.758 -0.028 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.519 -4.893 -1.503 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.712 -7.081 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.141 -6.314 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.152 -6.060 -4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.531 -6.325 -3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.103 -8.657 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.763 -8.405 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.409 -8.155 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.254 -9.666 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.676 -9.043 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.213 -7.788 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.977 -7.500 -6.780 1.00 0.00 H new ATOM 704 N GLY A 46 -1.321 -3.038 -2.855 1.00 0.00 N ATOM 705 CA GLY A 46 -1.732 -1.851 -3.527 1.00 0.00 C ATOM 706 C GLY A 46 -0.882 -1.584 -4.718 1.00 0.00 C ATOM 707 O GLY A 46 0.240 -2.106 -4.809 1.00 0.00 O ATOM 0 H GLY A 46 -0.327 -3.252 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.773 -1.946 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.678 -1.005 -2.842 1.00 0.00 H new ATOM 711 N GLU A 47 -1.393 -0.791 -5.609 1.00 0.00 N ATOM 712 CA GLU A 47 -0.726 -0.462 -6.823 1.00 0.00 C ATOM 713 C GLU A 47 -0.228 0.970 -6.747 1.00 0.00 C ATOM 714 O GLU A 47 -0.985 1.898 -6.400 1.00 0.00 O ATOM 715 CB GLU A 47 -1.683 -0.720 -8.015 1.00 0.00 C ATOM 716 CG GLU A 47 -1.088 -0.571 -9.420 1.00 0.00 C ATOM 717 CD GLU A 47 -1.089 0.844 -9.933 1.00 0.00 C ATOM 718 OE1 GLU A 47 -2.099 1.270 -10.509 1.00 0.00 O ATOM 719 OE2 GLU A 47 -0.087 1.560 -9.790 1.00 0.00 O ATOM 0 H GLU A 47 -2.305 -0.347 -5.507 1.00 0.00 H new ATOM 0 HA GLU A 47 0.149 -1.093 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.081 -1.730 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.527 -0.035 -7.928 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.064 -0.944 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.651 -1.199 -10.111 1.00 0.00 H new ATOM 726 N LEU A 48 1.040 1.132 -7.010 1.00 0.00 N ATOM 727 CA LEU A 48 1.678 2.412 -7.004 1.00 0.00 C ATOM 728 C LEU A 48 2.532 2.564 -8.250 1.00 0.00 C ATOM 729 O LEU A 48 3.526 1.838 -8.441 1.00 0.00 O ATOM 730 CB LEU A 48 2.537 2.602 -5.748 1.00 0.00 C ATOM 731 CG LEU A 48 3.316 3.932 -5.646 1.00 0.00 C ATOM 732 CD1 LEU A 48 2.380 5.122 -5.593 1.00 0.00 C ATOM 733 CD2 LEU A 48 4.232 3.932 -4.445 1.00 0.00 C ATOM 0 H LEU A 48 1.667 0.361 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 48 0.904 3.180 -6.997 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.890 2.517 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.253 1.782 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 48 3.924 4.021 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.963 6.040 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.772 5.147 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.731 5.036 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.769 4.880 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.642 3.802 -3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.947 3.114 -4.533 1.00 0.00 H new ATOM 745 N ASN A 49 2.091 3.451 -9.121 1.00 0.00 N ATOM 746 CA ASN A 49 2.803 3.850 -10.341 1.00 0.00 C ATOM 747 C ASN A 49 2.973 2.699 -11.343 1.00 0.00 C ATOM 748 O ASN A 49 3.801 2.776 -12.261 1.00 0.00 O ATOM 749 CB ASN A 49 4.167 4.498 -10.022 1.00 0.00 C ATOM 750 CG ASN A 49 4.105 5.772 -9.173 1.00 0.00 C ATOM 751 OD1 ASN A 49 3.026 6.525 -9.255 1.00 0.00 O flip ATOM 752 ND2 ASN A 49 5.046 6.072 -8.436 1.00 0.00 N flip ATOM 0 H ASN A 49 1.200 3.934 -9.004 1.00 0.00 H new ATOM 0 HA ASN A 49 2.170 4.597 -10.820 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.786 3.766 -9.504 1.00 0.00 H new ATOM 0 HB3 ASN A 49 4.668 4.731 -10.961 1.00 0.00 H new ATOM 0 HD21 ASN A 49 5.870 5.472 -8.391 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.001 6.920 -7.871 1.00 0.00 H new ATOM 759 N GLY A 50 2.180 1.658 -11.210 1.00 0.00 N ATOM 760 CA GLY A 50 2.245 0.575 -12.155 1.00 0.00 C ATOM 761 C GLY A 50 2.483 -0.771 -11.523 1.00 0.00 C ATOM 762 O GLY A 50 2.130 -1.795 -12.109 1.00 0.00 O ATOM 0 H GLY A 50 1.492 1.543 -10.465 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.313 0.541 -12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.043 0.776 -12.870 1.00 0.00 H new ATOM 766 N LYS A 51 3.091 -0.800 -10.358 1.00 0.00 N ATOM 767 CA LYS A 51 3.333 -2.065 -9.687 1.00 0.00 C ATOM 768 C LYS A 51 2.405 -2.239 -8.525 1.00 0.00 C ATOM 769 O LYS A 51 2.104 -1.278 -7.818 1.00 0.00 O ATOM 770 CB LYS A 51 4.788 -2.241 -9.207 1.00 0.00 C ATOM 771 CG LYS A 51 5.811 -2.635 -10.269 1.00 0.00 C ATOM 772 CD LYS A 51 6.136 -1.525 -11.244 1.00 0.00 C ATOM 773 CE LYS A 51 7.168 -1.992 -12.264 1.00 0.00 C ATOM 774 NZ LYS A 51 8.398 -2.521 -11.616 1.00 0.00 N ATOM 0 H LYS A 51 3.424 0.024 -9.858 1.00 0.00 H new ATOM 0 HA LYS A 51 3.145 -2.833 -10.437 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.112 -1.306 -8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.800 -2.999 -8.424 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.729 -2.953 -9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.433 -3.494 -10.823 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.228 -1.207 -11.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.517 -0.659 -10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 51 6.730 -2.766 -12.894 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.432 -1.161 -12.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.150 -2.620 -12.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.709 -1.864 -10.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.196 -3.450 -11.194 1.00 0.00 H new ATOM 788 N GLU A 52 1.959 -3.451 -8.328 1.00 0.00 N ATOM 789 CA GLU A 52 1.120 -3.784 -7.225 1.00 0.00 C ATOM 790 C GLU A 52 1.826 -4.813 -6.370 1.00 0.00 C ATOM 791 O GLU A 52 2.103 -5.937 -6.805 1.00 0.00 O ATOM 792 CB GLU A 52 -0.293 -4.248 -7.657 1.00 0.00 C ATOM 793 CG GLU A 52 -0.341 -5.458 -8.573 1.00 0.00 C ATOM 794 CD GLU A 52 -1.751 -5.884 -8.870 1.00 0.00 C ATOM 795 OE1 GLU A 52 -2.456 -6.322 -7.935 1.00 0.00 O ATOM 796 OE2 GLU A 52 -2.173 -5.829 -10.045 1.00 0.00 O ATOM 0 H GLU A 52 2.175 -4.238 -8.940 1.00 0.00 H new ATOM 0 HA GLU A 52 0.947 -2.883 -6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.871 -4.472 -6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.790 -3.417 -8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.172 -5.227 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.198 -6.285 -8.110 1.00 0.00 H new ATOM 803 N GLY A 53 2.155 -4.426 -5.191 1.00 0.00 N ATOM 804 CA GLY A 53 2.862 -5.297 -4.320 1.00 0.00 C ATOM 805 C GLY A 53 2.242 -5.312 -2.973 1.00 0.00 C ATOM 806 O GLY A 53 1.138 -4.785 -2.791 1.00 0.00 O ATOM 0 H GLY A 53 1.945 -3.506 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.869 -6.305 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.901 -4.977 -4.243 1.00 0.00 H new ATOM 810 N VAL A 54 2.940 -5.854 -2.032 1.00 0.00 N ATOM 811 CA VAL A 54 2.443 -5.962 -0.686 1.00 0.00 C ATOM 812 C VAL A 54 3.282 -5.116 0.240 1.00 0.00 C ATOM 813 O VAL A 54 4.452 -4.820 -0.066 1.00 0.00 O ATOM 814 CB VAL A 54 2.408 -7.439 -0.177 1.00 0.00 C ATOM 815 CG1 VAL A 54 1.480 -8.283 -1.035 1.00 0.00 C ATOM 816 CG2 VAL A 54 3.808 -8.059 -0.144 1.00 0.00 C ATOM 0 H VAL A 54 3.875 -6.238 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 54 1.415 -5.600 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 54 2.025 -7.421 0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.471 -9.307 -0.662 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.471 -7.873 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.831 -8.275 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.743 -9.086 0.215 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.233 -8.052 -1.148 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.446 -7.481 0.524 1.00 0.00 H new ATOM 826 N PHE A 55 2.676 -4.680 1.317 1.00 0.00 N ATOM 827 CA PHE A 55 3.322 -3.835 2.286 1.00 0.00 C ATOM 828 C PHE A 55 2.541 -3.877 3.601 1.00 0.00 C ATOM 829 O PHE A 55 1.331 -4.074 3.579 1.00 0.00 O ATOM 830 CB PHE A 55 3.389 -2.385 1.748 1.00 0.00 C ATOM 831 CG PHE A 55 2.045 -1.719 1.483 1.00 0.00 C ATOM 832 CD1 PHE A 55 1.392 -1.894 0.268 1.00 0.00 C ATOM 833 CD2 PHE A 55 1.448 -0.908 2.444 1.00 0.00 C ATOM 834 CE1 PHE A 55 0.180 -1.280 0.021 1.00 0.00 C ATOM 835 CE2 PHE A 55 0.235 -0.295 2.200 1.00 0.00 C ATOM 836 CZ PHE A 55 -0.400 -0.481 0.987 1.00 0.00 C ATOM 0 H PHE A 55 1.708 -4.906 1.546 1.00 0.00 H new ATOM 0 HA PHE A 55 4.336 -4.191 2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.941 -1.776 2.464 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.963 -2.386 0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.838 -2.518 -0.492 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.940 -0.756 3.393 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.315 -1.425 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.217 0.329 2.957 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.349 -0.002 0.794 1.00 0.00 H new ATOM 846 N PRO A 56 3.205 -3.752 4.762 1.00 0.00 N ATOM 847 CA PRO A 56 2.508 -3.674 6.044 1.00 0.00 C ATOM 848 C PRO A 56 1.757 -2.340 6.151 1.00 0.00 C ATOM 849 O PRO A 56 2.324 -1.269 5.855 1.00 0.00 O ATOM 850 CB PRO A 56 3.642 -3.742 7.087 1.00 0.00 C ATOM 851 CG PRO A 56 4.841 -4.208 6.328 1.00 0.00 C ATOM 852 CD PRO A 56 4.662 -3.702 4.932 1.00 0.00 C ATOM 0 HA PRO A 56 1.769 -4.463 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.818 -2.767 7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.394 -4.431 7.894 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.759 -3.820 6.770 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.915 -5.295 6.343 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.050 -2.690 4.814 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.178 -4.328 4.204 1.00 0.00 H new ATOM 860 N ASP A 57 0.507 -2.388 6.606 1.00 0.00 N ATOM 861 CA ASP A 57 -0.377 -1.187 6.660 1.00 0.00 C ATOM 862 C ASP A 57 0.071 -0.138 7.690 1.00 0.00 C ATOM 863 O ASP A 57 -0.553 0.908 7.833 1.00 0.00 O ATOM 864 CB ASP A 57 -1.853 -1.568 6.914 1.00 0.00 C ATOM 865 CG ASP A 57 -2.136 -2.120 8.303 1.00 0.00 C ATOM 866 OD1 ASP A 57 -2.011 -3.343 8.509 1.00 0.00 O ATOM 867 OD2 ASP A 57 -2.522 -1.344 9.208 1.00 0.00 O ATOM 0 H ASP A 57 0.066 -3.242 6.948 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.289 -0.731 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.474 -0.687 6.754 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.155 -2.309 6.174 1.00 0.00 H new ATOM 872 N ASN A 58 1.163 -0.401 8.360 1.00 0.00 N ATOM 873 CA ASN A 58 1.699 0.489 9.385 1.00 0.00 C ATOM 874 C ASN A 58 2.389 1.684 8.749 1.00 0.00 C ATOM 875 O ASN A 58 2.532 2.732 9.363 1.00 0.00 O ATOM 876 CB ASN A 58 2.732 -0.251 10.240 1.00 0.00 C ATOM 877 CG ASN A 58 2.213 -1.540 10.821 1.00 0.00 C ATOM 878 OD1 ASN A 58 2.323 -2.600 10.194 1.00 0.00 O ATOM 879 ND2 ASN A 58 1.658 -1.480 11.992 1.00 0.00 N ATOM 0 H ASN A 58 1.718 -1.244 8.216 1.00 0.00 H new ATOM 0 HA ASN A 58 0.865 0.825 10.001 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.611 -0.463 9.632 1.00 0.00 H new ATOM 0 HB3 ASN A 58 3.055 0.401 11.052 1.00 0.00 H new ATOM 0 HD21 ASN A 58 1.293 -2.327 12.428 1.00 0.00 H new ATOM 0 HD22 ASN A 58 1.586 -0.586 12.477 1.00 0.00 H new ATOM 886 N PHE A 59 2.798 1.531 7.512 1.00 0.00 N ATOM 887 CA PHE A 59 3.575 2.561 6.841 1.00 0.00 C ATOM 888 C PHE A 59 2.692 3.548 6.077 1.00 0.00 C ATOM 889 O PHE A 59 3.190 4.492 5.452 1.00 0.00 O ATOM 890 CB PHE A 59 4.622 1.922 5.914 1.00 0.00 C ATOM 891 CG PHE A 59 5.670 1.108 6.643 1.00 0.00 C ATOM 892 CD1 PHE A 59 5.412 -0.198 7.038 1.00 0.00 C ATOM 893 CD2 PHE A 59 6.907 1.656 6.943 1.00 0.00 C ATOM 894 CE1 PHE A 59 6.365 -0.934 7.713 1.00 0.00 C ATOM 895 CE2 PHE A 59 7.862 0.925 7.620 1.00 0.00 C ATOM 896 CZ PHE A 59 7.592 -0.370 8.006 1.00 0.00 C ATOM 0 H PHE A 59 2.609 0.705 6.944 1.00 0.00 H new ATOM 0 HA PHE A 59 4.092 3.135 7.610 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.113 1.280 5.195 1.00 0.00 H new ATOM 0 HB3 PHE A 59 5.118 2.708 5.345 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.454 -0.643 6.814 1.00 0.00 H new ATOM 0 HD2 PHE A 59 7.127 2.670 6.643 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.152 -1.950 8.012 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.821 1.368 7.847 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.338 -0.943 8.537 1.00 0.00 H new ATOM 906 N ALA A 60 1.392 3.367 6.161 1.00 0.00 N ATOM 907 CA ALA A 60 0.464 4.213 5.445 1.00 0.00 C ATOM 908 C ALA A 60 -0.819 4.384 6.236 1.00 0.00 C ATOM 909 O ALA A 60 -1.003 3.744 7.277 1.00 0.00 O ATOM 910 CB ALA A 60 0.165 3.614 4.071 1.00 0.00 C ATOM 0 H ALA A 60 0.952 2.637 6.722 1.00 0.00 H new ATOM 0 HA ALA A 60 0.918 5.195 5.311 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.535 4.258 3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.090 3.533 3.500 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.274 2.624 4.193 1.00 0.00 H new ATOM 916 N VAL A 61 -1.668 5.269 5.777 1.00 0.00 N ATOM 917 CA VAL A 61 -2.971 5.460 6.362 1.00 0.00 C ATOM 918 C VAL A 61 -3.993 5.642 5.249 1.00 0.00 C ATOM 919 O VAL A 61 -3.748 6.378 4.276 1.00 0.00 O ATOM 920 CB VAL A 61 -3.017 6.665 7.365 1.00 0.00 C ATOM 921 CG1 VAL A 61 -2.695 7.995 6.687 1.00 0.00 C ATOM 922 CG2 VAL A 61 -4.359 6.733 8.086 1.00 0.00 C ATOM 0 H VAL A 61 -1.474 5.880 4.984 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.210 4.572 6.947 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.239 6.486 8.107 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.740 8.798 7.422 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.694 7.951 6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.421 8.186 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.360 7.578 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.158 6.859 7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.519 5.811 8.644 1.00 0.00 H new ATOM 932 N GLN A 62 -5.082 4.932 5.341 1.00 0.00 N ATOM 933 CA GLN A 62 -6.144 5.041 4.385 1.00 0.00 C ATOM 934 C GLN A 62 -6.857 6.378 4.522 1.00 0.00 C ATOM 935 O GLN A 62 -7.456 6.674 5.554 1.00 0.00 O ATOM 936 CB GLN A 62 -7.107 3.863 4.502 1.00 0.00 C ATOM 937 CG GLN A 62 -8.372 4.031 3.694 1.00 0.00 C ATOM 938 CD GLN A 62 -9.190 2.778 3.593 1.00 0.00 C ATOM 939 OE1 GLN A 62 -9.151 1.904 4.465 1.00 0.00 O ATOM 940 NE2 GLN A 62 -9.999 2.722 2.589 1.00 0.00 N ATOM 0 H GLN A 62 -5.257 4.258 6.086 1.00 0.00 H new ATOM 0 HA GLN A 62 -5.714 5.004 3.384 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.598 2.955 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.372 3.724 5.550 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -8.979 4.816 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.110 4.366 2.690 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -9.998 3.466 1.891 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.639 1.934 2.493 1.00 0.00 H new ATOM 949 N ILE A 63 -6.784 7.160 3.467 1.00 0.00 N ATOM 950 CA ILE A 63 -7.332 8.508 3.422 1.00 0.00 C ATOM 951 C ILE A 63 -8.849 8.439 3.478 1.00 0.00 C ATOM 952 O ILE A 63 -9.500 9.125 4.261 1.00 0.00 O ATOM 953 CB ILE A 63 -6.929 9.210 2.097 1.00 0.00 C ATOM 954 CG1 ILE A 63 -5.412 9.116 1.875 1.00 0.00 C ATOM 955 CG2 ILE A 63 -7.380 10.675 2.103 1.00 0.00 C ATOM 956 CD1 ILE A 63 -4.956 9.653 0.535 1.00 0.00 C ATOM 0 H ILE A 63 -6.334 6.876 2.597 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.941 9.069 4.271 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.430 8.699 1.274 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.904 9.665 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -5.105 8.074 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.088 11.149 1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -8.464 10.722 2.211 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.909 11.197 2.936 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.874 9.553 0.452 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -5.435 9.089 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -5.230 10.705 0.452 1.00 0.00 H new ATOM 968 N SER A 64 -9.396 7.619 2.631 1.00 0.00 N ATOM 969 CA SER A 64 -10.791 7.427 2.543 1.00 0.00 C ATOM 970 C SER A 64 -11.062 5.940 2.511 1.00 0.00 C ATOM 971 O SER A 64 -10.863 5.312 1.456 1.00 0.00 O ATOM 972 CB SER A 64 -11.312 8.119 1.297 1.00 0.00 C ATOM 973 OG SER A 64 -10.992 9.510 1.340 1.00 0.00 O ATOM 974 OXT SER A 64 -11.425 5.385 3.550 1.00 0.00 O ATOM 0 H SER A 64 -8.860 7.056 1.970 1.00 0.00 H new ATOM 0 HA SER A 64 -11.305 7.858 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.874 7.664 0.409 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.392 7.988 1.223 1.00 0.00 H new ATOM 0 HG SER A 64 -11.330 9.949 0.532 1.00 0.00 H new