USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.763 K(o=0.76,f=-0.59) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 32:sc= 0.475 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 14:sc= 0.00531 USER MOD Single : A 47 LYS NZ :NH3+ -116:sc= -0.0476 (180deg=-0.533) USER MOD Single : A 48 CYS SG : rot 170:sc= -2.18 USER MOD Single : A 51 HIS : no HD1:sc= -0.0702 X(o=-0.07,f=0) USER MOD Single : A 54 GLN : amide:sc=-0.00977 X(o=-0.0098,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.45 K(o=-1.4,f=-2.6!) USER MOD Single : A 63 GLN : amide:sc= -0.67 K(o=-0.67,f=-6.4!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.524 4.604 -3.462 1.00 0.00 N ATOM 60 CA GLY A 7 10.517 3.772 -2.829 1.00 0.00 C ATOM 61 C GLY A 7 10.019 4.358 -1.523 1.00 0.00 C ATOM 62 O GLY A 7 10.803 4.607 -0.607 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.676 3.643 -3.510 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.932 2.781 -2.644 1.00 0.00 H new ATOM 66 N LEU A 8 8.712 4.580 -1.436 1.00 0.00 N ATOM 67 CA LEU A 8 8.110 5.143 -0.232 1.00 0.00 C ATOM 68 C LEU A 8 7.610 4.038 0.693 1.00 0.00 C ATOM 69 O LEU A 8 7.630 2.859 0.338 1.00 0.00 O ATOM 70 CB LEU A 8 6.954 6.074 -0.603 1.00 0.00 C ATOM 71 CG LEU A 8 7.333 7.523 -0.914 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.222 8.088 0.183 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.027 7.615 -2.265 1.00 0.00 C ATOM 0 H LEU A 8 8.049 4.379 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 8 8.875 5.715 0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.444 5.658 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.237 6.075 0.218 1.00 0.00 H new ATOM 0 HG LEU A 8 6.420 8.117 -0.956 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.482 9.120 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.690 8.058 1.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.132 7.492 0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.289 8.653 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.932 7.008 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.357 7.250 -3.044 1.00 0.00 H new ATOM 85 N LEU A 9 7.160 4.427 1.881 1.00 0.00 N ATOM 86 CA LEU A 9 6.652 3.470 2.858 1.00 0.00 C ATOM 87 C LEU A 9 5.303 3.920 3.410 1.00 0.00 C ATOM 88 O LEU A 9 5.157 5.050 3.876 1.00 0.00 O ATOM 89 CB LEU A 9 7.653 3.300 4.002 1.00 0.00 C ATOM 90 CG LEU A 9 9.095 2.996 3.593 1.00 0.00 C ATOM 91 CD1 LEU A 9 10.065 3.477 4.660 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.274 1.506 3.339 1.00 0.00 C ATOM 0 H LEU A 9 7.137 5.398 2.191 1.00 0.00 H new ATOM 0 HA LEU A 9 6.517 2.512 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.650 4.212 4.599 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.302 2.495 4.648 1.00 0.00 H new ATOM 0 HG LEU A 9 9.311 3.531 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.086 3.252 4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.955 4.553 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.851 2.971 5.601 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.306 1.308 3.049 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.039 0.951 4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.605 1.190 2.538 1.00 0.00 H new ATOM 104 N ALA A 10 4.320 3.027 3.356 1.00 0.00 N ATOM 105 CA ALA A 10 2.985 3.330 3.855 1.00 0.00 C ATOM 106 C ALA A 10 2.476 2.222 4.772 1.00 0.00 C ATOM 107 O ALA A 10 3.013 1.114 4.778 1.00 0.00 O ATOM 108 CB ALA A 10 2.023 3.540 2.695 1.00 0.00 C ATOM 0 H ALA A 10 4.424 2.088 2.972 1.00 0.00 H new ATOM 0 HA ALA A 10 3.042 4.250 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.029 3.766 3.083 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.370 4.371 2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.979 2.634 2.090 1.00 0.00 H new ATOM 114 N ARG A 11 1.440 2.529 5.544 1.00 0.00 N ATOM 115 CA ARG A 11 0.860 1.560 6.466 1.00 0.00 C ATOM 116 C ARG A 11 -0.492 1.068 5.959 1.00 0.00 C ATOM 117 O ARG A 11 -1.095 1.679 5.077 1.00 0.00 O ATOM 118 CB ARG A 11 0.702 2.178 7.857 1.00 0.00 C ATOM 119 CG ARG A 11 0.350 1.167 8.936 1.00 0.00 C ATOM 120 CD ARG A 11 0.312 1.813 10.312 1.00 0.00 C ATOM 121 NE ARG A 11 -1.013 2.335 10.635 1.00 0.00 N ATOM 122 CZ ARG A 11 -1.282 3.028 11.736 1.00 0.00 C ATOM 123 NH1 ARG A 11 -0.323 3.281 12.615 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.513 3.470 11.959 1.00 0.00 N ATOM 0 H ARG A 11 0.984 3.442 5.550 1.00 0.00 H new ATOM 0 HA ARG A 11 1.536 0.707 6.530 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.630 2.680 8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.074 2.942 7.820 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.619 0.720 8.715 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.082 0.359 8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.607 1.081 11.064 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.040 2.623 10.353 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.774 2.158 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.625 2.943 12.447 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.533 3.813 13.459 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.254 3.278 11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.718 4.002 12.805 1.00 0.00 H new ATOM 138 N ALA A 12 -0.962 -0.040 6.523 1.00 0.00 N ATOM 139 CA ALA A 12 -2.244 -0.613 6.129 1.00 0.00 C ATOM 140 C ALA A 12 -3.266 -0.498 7.255 1.00 0.00 C ATOM 141 O ALA A 12 -3.262 -1.293 8.195 1.00 0.00 O ATOM 142 CB ALA A 12 -2.068 -2.068 5.720 1.00 0.00 C ATOM 0 H ALA A 12 -0.475 -0.559 7.254 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.619 -0.049 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.033 -2.483 5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.378 -2.128 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.667 -2.636 6.560 1.00 0.00 H new ATOM 148 N LEU A 13 -4.140 0.498 7.154 1.00 0.00 N ATOM 149 CA LEU A 13 -5.168 0.718 8.165 1.00 0.00 C ATOM 150 C LEU A 13 -6.249 -0.356 8.085 1.00 0.00 C ATOM 151 O LEU A 13 -6.983 -0.585 9.047 1.00 0.00 O ATOM 152 CB LEU A 13 -5.796 2.102 7.990 1.00 0.00 C ATOM 153 CG LEU A 13 -4.822 3.251 7.722 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.580 4.516 7.352 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.936 3.493 8.935 1.00 0.00 C ATOM 0 H LEU A 13 -4.157 1.165 6.383 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.696 0.661 9.146 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.507 2.055 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.366 2.337 8.889 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.185 2.974 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.872 5.323 7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.171 4.336 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.241 4.797 8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.250 4.314 8.726 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.557 3.749 9.794 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.366 2.590 9.155 1.00 0.00 H new ATOM 167 N TYR A 14 -6.338 -1.013 6.935 1.00 0.00 N ATOM 168 CA TYR A 14 -7.329 -2.064 6.729 1.00 0.00 C ATOM 169 C TYR A 14 -6.767 -3.179 5.853 1.00 0.00 C ATOM 170 O TYR A 14 -5.917 -2.941 4.994 1.00 0.00 O ATOM 171 CB TYR A 14 -8.591 -1.484 6.089 1.00 0.00 C ATOM 172 CG TYR A 14 -9.014 -0.157 6.676 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.425 1.030 6.257 1.00 0.00 C ATOM 174 CD2 TYR A 14 -10.003 -0.089 7.650 1.00 0.00 C ATOM 175 CE1 TYR A 14 -8.807 2.245 6.791 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.393 1.122 8.189 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.792 2.286 7.757 1.00 0.00 C ATOM 178 OH TYR A 14 -10.176 3.494 8.291 1.00 0.00 O ATOM 0 H TYR A 14 -5.736 -0.837 6.130 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.583 -2.485 7.702 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.422 -1.361 5.019 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.407 -2.198 6.202 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.655 1.002 5.500 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.475 -0.998 7.992 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.338 3.158 6.455 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.164 1.157 8.944 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.880 3.348 8.957 1.00 0.00 H new ATOM 188 N ASP A 15 -7.247 -4.397 6.077 1.00 0.00 N ATOM 189 CA ASP A 15 -6.795 -5.551 5.308 1.00 0.00 C ATOM 190 C ASP A 15 -7.436 -5.566 3.924 1.00 0.00 C ATOM 191 O ASP A 15 -8.572 -5.126 3.751 1.00 0.00 O ATOM 192 CB ASP A 15 -7.124 -6.846 6.051 1.00 0.00 C ATOM 193 CG ASP A 15 -8.580 -7.244 5.904 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.967 -7.684 4.801 1.00 0.00 O ATOM 195 OD2 ASP A 15 -9.332 -7.118 6.893 1.00 0.00 O ATOM 0 H ASP A 15 -7.949 -4.611 6.785 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.714 -5.476 5.187 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.491 -7.649 5.673 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.888 -6.725 7.108 1.00 0.00 H new ATOM 200 N ASN A 16 -6.700 -6.076 2.942 1.00 0.00 N ATOM 201 CA ASN A 16 -7.196 -6.147 1.573 1.00 0.00 C ATOM 202 C ASN A 16 -7.253 -7.593 1.089 1.00 0.00 C ATOM 203 O ASN A 16 -6.259 -8.318 1.150 1.00 0.00 O ATOM 204 CB ASN A 16 -6.307 -5.321 0.642 1.00 0.00 C ATOM 205 CG ASN A 16 -6.795 -5.342 -0.794 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.978 -5.133 -1.062 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.882 -5.597 -1.725 1.00 0.00 N ATOM 0 H ASN A 16 -5.758 -6.446 3.069 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.206 -5.737 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.273 -4.291 0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.288 -5.705 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.151 -5.625 -2.709 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.912 -5.764 -1.456 1.00 0.00 H new ATOM 214 N CYS A 17 -8.421 -8.006 0.609 1.00 0.00 N ATOM 215 CA CYS A 17 -8.608 -9.365 0.115 1.00 0.00 C ATOM 216 C CYS A 17 -8.745 -9.378 -1.404 1.00 0.00 C ATOM 217 O CYS A 17 -9.846 -9.432 -1.951 1.00 0.00 O ATOM 218 CB CYS A 17 -9.843 -9.998 0.757 1.00 0.00 C ATOM 219 SG CYS A 17 -10.089 -11.737 0.328 1.00 0.00 S ATOM 0 H CYS A 17 -9.253 -7.419 0.552 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.728 -9.948 0.386 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.761 -9.910 1.840 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.725 -9.433 0.457 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.157 -12.183 0.920 1.00 0.00 H new ATOM 225 N PRO A 18 -7.601 -9.324 -2.102 1.00 0.00 N ATOM 226 CA PRO A 18 -7.568 -9.327 -3.568 1.00 0.00 C ATOM 227 C PRO A 18 -7.978 -10.673 -4.154 1.00 0.00 C ATOM 228 O PRO A 18 -8.077 -11.669 -3.437 1.00 0.00 O ATOM 229 CB PRO A 18 -6.102 -9.027 -3.889 1.00 0.00 C ATOM 230 CG PRO A 18 -5.348 -9.494 -2.692 1.00 0.00 C ATOM 231 CD PRO A 18 -6.253 -9.258 -1.515 1.00 0.00 C ATOM 0 HA PRO A 18 -8.268 -8.608 -3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.779 -9.550 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.945 -7.963 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.090 -10.549 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.413 -8.945 -2.581 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.114 -10.015 -0.743 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.064 -8.290 -1.051 1.00 0.00 H new ATOM 239 N ASP A 19 -8.214 -10.696 -5.461 1.00 0.00 N ATOM 240 CA ASP A 19 -8.611 -11.922 -6.145 1.00 0.00 C ATOM 241 C ASP A 19 -7.806 -12.115 -7.426 1.00 0.00 C ATOM 242 O ASP A 19 -8.254 -12.784 -8.358 1.00 0.00 O ATOM 243 CB ASP A 19 -10.106 -11.889 -6.468 1.00 0.00 C ATOM 244 CG ASP A 19 -10.391 -11.281 -7.827 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.677 -10.333 -8.216 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.328 -11.754 -8.503 1.00 0.00 O ATOM 0 H ASP A 19 -8.137 -9.880 -6.068 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.409 -12.762 -5.480 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.504 -12.903 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.628 -11.317 -5.701 1.00 0.00 H new ATOM 251 N CYS A 20 -6.616 -11.526 -7.465 1.00 0.00 N ATOM 252 CA CYS A 20 -5.748 -11.631 -8.633 1.00 0.00 C ATOM 253 C CYS A 20 -4.294 -11.369 -8.255 1.00 0.00 C ATOM 254 O CYS A 20 -4.010 -10.760 -7.224 1.00 0.00 O ATOM 255 CB CYS A 20 -6.192 -10.646 -9.715 1.00 0.00 C ATOM 256 SG CYS A 20 -7.429 -11.310 -10.855 1.00 0.00 S ATOM 0 H CYS A 20 -6.230 -10.971 -6.701 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.826 -12.646 -9.023 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.597 -9.754 -9.236 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.318 -10.332 -10.286 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.182 -12.164 -10.228 1.00 0.00 H new ATOM 262 N SER A 21 -3.376 -11.835 -9.096 1.00 0.00 N ATOM 263 CA SER A 21 -1.951 -11.656 -8.848 1.00 0.00 C ATOM 264 C SER A 21 -1.561 -10.185 -8.954 1.00 0.00 C ATOM 265 O SER A 21 -0.710 -9.701 -8.208 1.00 0.00 O ATOM 266 CB SER A 21 -1.131 -12.485 -9.838 1.00 0.00 C ATOM 267 OG SER A 21 -1.451 -12.145 -11.176 1.00 0.00 O ATOM 0 H SER A 21 -3.594 -12.339 -9.955 1.00 0.00 H new ATOM 0 HA SER A 21 -1.739 -11.998 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.068 -12.320 -9.662 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.321 -13.546 -9.674 1.00 0.00 H new ATOM 0 HG SER A 21 -0.912 -12.687 -11.789 1.00 0.00 H new ATOM 273 N ASP A 22 -2.191 -9.479 -9.887 1.00 0.00 N ATOM 274 CA ASP A 22 -1.912 -8.062 -10.091 1.00 0.00 C ATOM 275 C ASP A 22 -2.101 -7.279 -8.796 1.00 0.00 C ATOM 276 O ASP A 22 -1.264 -6.453 -8.432 1.00 0.00 O ATOM 277 CB ASP A 22 -2.821 -7.494 -11.183 1.00 0.00 C ATOM 278 CG ASP A 22 -2.833 -8.355 -12.431 1.00 0.00 C ATOM 279 OD1 ASP A 22 -3.419 -9.456 -12.386 1.00 0.00 O ATOM 280 OD2 ASP A 22 -2.256 -7.926 -13.453 1.00 0.00 O ATOM 0 H ASP A 22 -2.898 -9.864 -10.513 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.873 -7.963 -10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.836 -7.405 -10.797 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.489 -6.489 -11.442 1.00 0.00 H new ATOM 285 N GLU A 23 -3.206 -7.543 -8.107 1.00 0.00 N ATOM 286 CA GLU A 23 -3.505 -6.860 -6.853 1.00 0.00 C ATOM 287 C GLU A 23 -2.610 -7.371 -5.728 1.00 0.00 C ATOM 288 O GLU A 23 -1.970 -8.417 -5.855 1.00 0.00 O ATOM 289 CB GLU A 23 -4.976 -7.056 -6.478 1.00 0.00 C ATOM 290 CG GLU A 23 -5.930 -6.190 -7.284 1.00 0.00 C ATOM 291 CD GLU A 23 -6.346 -6.840 -8.589 1.00 0.00 C ATOM 292 OE1 GLU A 23 -5.543 -6.818 -9.545 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.475 -7.371 -8.654 1.00 0.00 O ATOM 0 H GLU A 23 -3.909 -8.224 -8.395 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.311 -5.797 -6.993 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.242 -8.104 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.105 -6.835 -5.418 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.818 -5.981 -6.687 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.455 -5.232 -7.495 1.00 0.00 H new ATOM 300 N LEU A 24 -2.568 -6.627 -4.629 1.00 0.00 N ATOM 301 CA LEU A 24 -1.750 -7.003 -3.481 1.00 0.00 C ATOM 302 C LEU A 24 -2.624 -7.452 -2.314 1.00 0.00 C ATOM 303 O LEU A 24 -3.669 -6.861 -2.045 1.00 0.00 O ATOM 304 CB LEU A 24 -0.869 -5.829 -3.050 1.00 0.00 C ATOM 305 CG LEU A 24 0.461 -6.195 -2.390 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.402 -5.000 -2.388 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.232 -6.699 -0.973 1.00 0.00 C ATOM 0 H LEU A 24 -3.091 -5.760 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.114 -7.837 -3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.660 -5.216 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.438 -5.209 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 24 0.924 -6.995 -2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.343 -5.279 -1.914 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.591 -4.684 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.947 -4.179 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.189 -6.955 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.253 -5.921 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.405 -7.583 -1.000 1.00 0.00 H new ATOM 319 N ALA A 25 -2.188 -8.501 -1.624 1.00 0.00 N ATOM 320 CA ALA A 25 -2.928 -9.026 -0.483 1.00 0.00 C ATOM 321 C ALA A 25 -2.179 -8.774 0.821 1.00 0.00 C ATOM 322 O ALA A 25 -1.191 -9.444 1.121 1.00 0.00 O ATOM 323 CB ALA A 25 -3.189 -10.514 -0.664 1.00 0.00 C ATOM 0 H ALA A 25 -1.326 -9.004 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.883 -8.504 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.742 -10.893 0.195 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.773 -10.673 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.239 -11.043 -0.746 1.00 0.00 H new ATOM 329 N PHE A 26 -2.655 -7.802 1.592 1.00 0.00 N ATOM 330 CA PHE A 26 -2.029 -7.459 2.864 1.00 0.00 C ATOM 331 C PHE A 26 -3.075 -7.320 3.965 1.00 0.00 C ATOM 332 O PHE A 26 -4.267 -7.180 3.690 1.00 0.00 O ATOM 333 CB PHE A 26 -1.235 -6.158 2.732 1.00 0.00 C ATOM 334 CG PHE A 26 -2.076 -4.982 2.322 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.808 -4.276 3.263 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.134 -4.584 0.996 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.582 -3.193 2.889 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.906 -3.502 0.617 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.632 -2.807 1.564 1.00 0.00 C ATOM 0 H PHE A 26 -3.472 -7.238 1.358 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.348 -8.266 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.755 -5.936 3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.440 -6.299 2.000 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.774 -4.575 4.300 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.570 -5.125 0.251 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.147 -2.650 3.632 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.941 -3.200 -0.419 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.238 -1.963 1.269 1.00 0.00 H new ATOM 349 N SER A 27 -2.621 -7.361 5.214 1.00 0.00 N ATOM 350 CA SER A 27 -3.518 -7.244 6.358 1.00 0.00 C ATOM 351 C SER A 27 -3.302 -5.920 7.084 1.00 0.00 C ATOM 352 O SER A 27 -2.419 -5.140 6.727 1.00 0.00 O ATOM 353 CB SER A 27 -3.300 -8.410 7.324 1.00 0.00 C ATOM 354 OG SER A 27 -3.573 -9.651 6.696 1.00 0.00 O ATOM 0 H SER A 27 -1.637 -7.474 5.459 1.00 0.00 H new ATOM 0 HA SER A 27 -4.543 -7.273 5.990 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.271 -8.400 7.685 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.944 -8.290 8.195 1.00 0.00 H new ATOM 0 HG SER A 27 -3.425 -10.380 7.334 1.00 0.00 H new ATOM 360 N ARG A 28 -4.116 -5.673 8.106 1.00 0.00 N ATOM 361 CA ARG A 28 -4.016 -4.443 8.882 1.00 0.00 C ATOM 362 C ARG A 28 -2.765 -4.453 9.757 1.00 0.00 C ATOM 363 O ARG A 28 -2.423 -5.471 10.357 1.00 0.00 O ATOM 364 CB ARG A 28 -5.260 -4.263 9.754 1.00 0.00 C ATOM 365 CG ARG A 28 -5.045 -3.334 10.937 1.00 0.00 C ATOM 366 CD ARG A 28 -4.568 -4.095 12.165 1.00 0.00 C ATOM 367 NE ARG A 28 -5.682 -4.611 12.955 1.00 0.00 N ATOM 368 CZ ARG A 28 -6.552 -3.836 13.593 1.00 0.00 C ATOM 369 NH1 ARG A 28 -6.438 -2.517 13.533 1.00 0.00 N ATOM 370 NH2 ARG A 28 -7.539 -4.381 14.292 1.00 0.00 N ATOM 0 H ARG A 28 -4.852 -6.308 8.415 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.945 -3.608 8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.071 -3.873 9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.580 -5.238 10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.312 -2.571 10.673 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.976 -2.816 11.168 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.930 -4.922 11.854 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.958 -3.438 12.785 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.799 -5.622 13.021 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.681 -2.094 12.996 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.108 -1.924 14.024 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.630 -5.396 14.340 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.207 -3.785 14.782 1.00 0.00 H new ATOM 384 N GLY A 29 -2.087 -3.311 9.823 1.00 0.00 N ATOM 385 CA GLY A 29 -0.882 -3.210 10.626 1.00 0.00 C ATOM 386 C GLY A 29 0.348 -3.700 9.889 1.00 0.00 C ATOM 387 O GLY A 29 1.357 -4.039 10.508 1.00 0.00 O ATOM 0 H GLY A 29 -2.350 -2.455 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.734 -2.172 10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.009 -3.789 11.540 1.00 0.00 H new ATOM 391 N ASP A 30 0.266 -3.740 8.563 1.00 0.00 N ATOM 392 CA ASP A 30 1.381 -4.194 7.741 1.00 0.00 C ATOM 393 C ASP A 30 2.021 -3.024 7.000 1.00 0.00 C ATOM 394 O ASP A 30 1.327 -2.131 6.512 1.00 0.00 O ATOM 395 CB ASP A 30 0.909 -5.250 6.741 1.00 0.00 C ATOM 396 CG ASP A 30 0.639 -6.590 7.398 1.00 0.00 C ATOM 397 OD1 ASP A 30 1.356 -6.933 8.361 1.00 0.00 O ATOM 398 OD2 ASP A 30 -0.289 -7.294 6.949 1.00 0.00 O ATOM 0 H ASP A 30 -0.562 -3.463 8.035 1.00 0.00 H new ATOM 0 HA ASP A 30 2.128 -4.637 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.001 -4.900 6.249 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.664 -5.375 5.965 1.00 0.00 H new ATOM 403 N ILE A 31 3.347 -3.035 6.920 1.00 0.00 N ATOM 404 CA ILE A 31 4.080 -1.974 6.239 1.00 0.00 C ATOM 405 C ILE A 31 4.341 -2.336 4.781 1.00 0.00 C ATOM 406 O ILE A 31 5.037 -3.308 4.486 1.00 0.00 O ATOM 407 CB ILE A 31 5.424 -1.683 6.933 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.193 -1.270 8.388 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.183 -0.599 6.183 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.281 -0.073 8.538 1.00 0.00 C ATOM 0 H ILE A 31 3.936 -3.766 7.318 1.00 0.00 H new ATOM 0 HA ILE A 31 3.457 -1.081 6.284 1.00 0.00 H new ATOM 0 HB ILE A 31 6.025 -2.592 6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.767 -2.112 8.933 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.154 -1.045 8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.131 -0.404 6.685 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.375 -0.929 5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.588 0.314 6.163 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.162 0.164 9.595 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.716 0.783 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.307 -0.301 8.105 1.00 0.00 H new ATOM 422 N LEU A 32 3.779 -1.547 3.872 1.00 0.00 N ATOM 423 CA LEU A 32 3.952 -1.783 2.442 1.00 0.00 C ATOM 424 C LEU A 32 4.903 -0.758 1.833 1.00 0.00 C ATOM 425 O LEU A 32 4.791 0.441 2.092 1.00 0.00 O ATOM 426 CB LEU A 32 2.600 -1.728 1.729 1.00 0.00 C ATOM 427 CG LEU A 32 1.761 -3.006 1.782 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.552 -4.187 1.241 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.296 -3.279 3.205 1.00 0.00 C ATOM 0 H LEU A 32 3.200 -0.739 4.099 1.00 0.00 H new ATOM 0 HA LEU A 32 4.384 -2.775 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.016 -0.916 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.773 -1.474 0.683 1.00 0.00 H new ATOM 0 HG LEU A 32 0.881 -2.867 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.939 -5.087 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.834 -3.992 0.206 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.450 -4.329 1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.700 -4.192 3.224 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.163 -3.398 3.855 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.691 -2.443 3.557 1.00 0.00 H new ATOM 441 N THR A 33 5.840 -1.237 1.020 1.00 0.00 N ATOM 442 CA THR A 33 6.810 -0.363 0.372 1.00 0.00 C ATOM 443 C THR A 33 6.304 0.110 -0.986 1.00 0.00 C ATOM 444 O THR A 33 6.415 -0.604 -1.983 1.00 0.00 O ATOM 445 CB THR A 33 8.165 -1.070 0.185 1.00 0.00 C ATOM 446 OG1 THR A 33 8.660 -1.524 1.449 1.00 0.00 O ATOM 447 CG2 THR A 33 9.179 -0.134 -0.456 1.00 0.00 C ATOM 0 H THR A 33 5.947 -2.226 0.795 1.00 0.00 H new ATOM 0 HA THR A 33 6.945 0.499 1.026 1.00 0.00 H new ATOM 0 HB THR A 33 8.016 -1.925 -0.474 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.521 -1.974 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.129 -0.655 -0.578 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.813 0.186 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.323 0.738 0.182 1.00 0.00 H new ATOM 455 N ILE A 34 5.748 1.316 -1.018 1.00 0.00 N ATOM 456 CA ILE A 34 5.227 1.884 -2.255 1.00 0.00 C ATOM 457 C ILE A 34 6.329 2.037 -3.297 1.00 0.00 C ATOM 458 O ILE A 34 7.074 3.018 -3.290 1.00 0.00 O ATOM 459 CB ILE A 34 4.572 3.257 -2.012 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.420 3.127 -1.013 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.078 3.847 -3.324 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.889 4.457 -0.527 1.00 0.00 C ATOM 0 H ILE A 34 5.647 1.919 -0.201 1.00 0.00 H new ATOM 0 HA ILE A 34 4.472 1.191 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 34 5.319 3.930 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.608 2.569 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.757 2.544 -0.156 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.618 4.817 -3.136 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.919 3.970 -4.007 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.343 3.177 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.075 4.288 0.178 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.688 5.009 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.521 5.034 -1.375 1.00 0.00 H new ATOM 474 N LEU A 35 6.427 1.062 -4.194 1.00 0.00 N ATOM 475 CA LEU A 35 7.438 1.088 -5.245 1.00 0.00 C ATOM 476 C LEU A 35 7.318 2.356 -6.085 1.00 0.00 C ATOM 477 O LEU A 35 8.299 3.069 -6.291 1.00 0.00 O ATOM 478 CB LEU A 35 7.303 -0.145 -6.140 1.00 0.00 C ATOM 479 CG LEU A 35 7.465 -1.499 -5.448 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.097 -2.630 -6.395 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.889 -1.669 -4.938 1.00 0.00 C ATOM 0 H LEU A 35 5.819 0.244 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 35 8.420 1.080 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.323 -0.118 -6.616 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.045 -0.075 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 35 6.788 -1.533 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.218 -3.586 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.060 -2.517 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.748 -2.600 -7.269 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.987 -2.638 -4.448 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.584 -1.614 -5.776 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.117 -0.877 -4.224 1.00 0.00 H new ATOM 493 N GLU A 36 6.109 2.629 -6.564 1.00 0.00 N ATOM 494 CA GLU A 36 5.861 3.812 -7.380 1.00 0.00 C ATOM 495 C GLU A 36 4.484 4.399 -7.083 1.00 0.00 C ATOM 496 O GLU A 36 3.695 3.812 -6.343 1.00 0.00 O ATOM 497 CB GLU A 36 5.971 3.466 -8.866 1.00 0.00 C ATOM 498 CG GLU A 36 4.866 2.548 -9.360 1.00 0.00 C ATOM 499 CD GLU A 36 5.091 2.079 -10.785 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.879 1.130 -10.978 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.479 2.660 -11.705 1.00 0.00 O ATOM 0 H GLU A 36 5.287 2.048 -6.402 1.00 0.00 H new ATOM 0 HA GLU A 36 6.616 4.558 -7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.953 4.388 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.935 2.992 -9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.798 1.681 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.911 3.070 -9.300 1.00 0.00 H new ATOM 508 N GLN A 37 4.204 5.560 -7.666 1.00 0.00 N ATOM 509 CA GLN A 37 2.923 6.227 -7.463 1.00 0.00 C ATOM 510 C GLN A 37 2.180 6.391 -8.785 1.00 0.00 C ATOM 511 O GLN A 37 0.964 6.208 -8.852 1.00 0.00 O ATOM 512 CB GLN A 37 3.134 7.594 -6.809 1.00 0.00 C ATOM 513 CG GLN A 37 3.624 7.512 -5.373 1.00 0.00 C ATOM 514 CD GLN A 37 3.951 8.873 -4.790 1.00 0.00 C ATOM 515 OE1 GLN A 37 3.889 9.889 -5.482 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.303 8.899 -3.509 1.00 0.00 N ATOM 0 H GLN A 37 4.846 6.058 -8.282 1.00 0.00 H new ATOM 0 HA GLN A 37 2.318 5.606 -6.802 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.854 8.162 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.195 8.148 -6.833 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.862 7.032 -4.760 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.511 6.880 -5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.341 8.032 -2.973 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.535 9.786 -3.062 1.00 0.00 H new ATOM 525 N HIS A 38 2.918 6.738 -9.834 1.00 0.00 N ATOM 526 CA HIS A 38 2.328 6.927 -11.155 1.00 0.00 C ATOM 527 C HIS A 38 1.843 5.599 -11.728 1.00 0.00 C ATOM 528 O HIS A 38 2.594 4.887 -12.395 1.00 0.00 O ATOM 529 CB HIS A 38 3.344 7.565 -12.104 1.00 0.00 C ATOM 530 CG HIS A 38 2.715 8.320 -13.234 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.148 9.568 -13.082 1.00 0.00 N ATOM 532 CD2 HIS A 38 2.568 7.998 -14.540 1.00 0.00 C ATOM 533 CE1 HIS A 38 1.678 9.980 -14.246 1.00 0.00 C ATOM 534 NE2 HIS A 38 1.920 9.045 -15.148 1.00 0.00 N ATOM 0 H HIS A 38 3.925 6.894 -9.796 1.00 0.00 H new ATOM 0 HA HIS A 38 1.471 7.593 -11.052 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.984 8.242 -11.537 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.987 6.785 -12.512 1.00 0.00 H new ATOM 0 HD2 HIS A 38 2.899 7.087 -15.016 1.00 0.00 H new ATOM 0 HE1 HIS A 38 1.181 10.921 -14.429 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.667 9.093 -16.135 1.00 0.00 H new ATOM 543 N VAL A 39 0.582 5.272 -11.463 1.00 0.00 N ATOM 544 CA VAL A 39 -0.004 4.029 -11.953 1.00 0.00 C ATOM 545 C VAL A 39 -1.321 4.290 -12.675 1.00 0.00 C ATOM 546 O VAL A 39 -2.384 4.390 -12.063 1.00 0.00 O ATOM 547 CB VAL A 39 -0.250 3.034 -10.804 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.589 1.657 -11.353 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.963 2.968 -9.887 1.00 0.00 C ATOM 0 H VAL A 39 -0.053 5.850 -10.912 1.00 0.00 H new ATOM 0 HA VAL A 39 0.711 3.596 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.100 3.385 -10.219 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.759 0.968 -10.526 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.489 1.720 -11.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.239 1.295 -11.963 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.771 2.260 -9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.833 2.642 -10.457 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.155 3.955 -9.465 1.00 0.00 H new ATOM 559 N PRO A 40 -1.251 4.404 -14.010 1.00 0.00 N ATOM 560 CA PRO A 40 -2.429 4.654 -14.846 1.00 0.00 C ATOM 561 C PRO A 40 -3.368 3.453 -14.899 1.00 0.00 C ATOM 562 O PRO A 40 -4.586 3.603 -14.819 1.00 0.00 O ATOM 563 CB PRO A 40 -1.832 4.927 -16.228 1.00 0.00 C ATOM 564 CG PRO A 40 -0.520 4.220 -16.221 1.00 0.00 C ATOM 565 CD PRO A 40 -0.017 4.297 -14.806 1.00 0.00 C ATOM 0 HA PRO A 40 -3.036 5.473 -14.460 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.480 4.551 -17.020 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.705 5.996 -16.400 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.633 3.184 -16.539 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.181 4.691 -16.911 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.560 3.412 -14.536 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.633 5.159 -14.657 1.00 0.00 H new ATOM 573 N GLU A 41 -2.791 2.263 -15.033 1.00 0.00 N ATOM 574 CA GLU A 41 -3.578 1.037 -15.097 1.00 0.00 C ATOM 575 C GLU A 41 -4.652 1.022 -14.014 1.00 0.00 C ATOM 576 O GLU A 41 -5.689 0.375 -14.161 1.00 0.00 O ATOM 577 CB GLU A 41 -2.670 -0.186 -14.948 1.00 0.00 C ATOM 578 CG GLU A 41 -1.617 -0.299 -16.036 1.00 0.00 C ATOM 579 CD GLU A 41 -2.213 -0.609 -17.396 1.00 0.00 C ATOM 580 OE1 GLU A 41 -2.810 -1.695 -17.548 1.00 0.00 O ATOM 581 OE2 GLU A 41 -2.082 0.235 -18.307 1.00 0.00 O ATOM 0 H GLU A 41 -1.783 2.122 -15.099 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.068 1.001 -16.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.175 -0.144 -13.978 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.284 -1.087 -14.954 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.058 0.635 -16.093 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.906 -1.081 -15.768 1.00 0.00 H new ATOM 588 N SER A 42 -4.396 1.740 -12.925 1.00 0.00 N ATOM 589 CA SER A 42 -5.338 1.807 -11.814 1.00 0.00 C ATOM 590 C SER A 42 -5.391 3.216 -11.231 1.00 0.00 C ATOM 591 O SER A 42 -4.384 3.743 -10.761 1.00 0.00 O ATOM 592 CB SER A 42 -4.946 0.807 -10.724 1.00 0.00 C ATOM 593 OG SER A 42 -5.343 -0.508 -11.072 1.00 0.00 O ATOM 0 H SER A 42 -3.544 2.284 -12.788 1.00 0.00 H new ATOM 0 HA SER A 42 -6.327 1.551 -12.193 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.867 0.836 -10.570 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.410 1.093 -9.780 1.00 0.00 H new ATOM 0 HG SER A 42 -5.578 -0.538 -12.023 1.00 0.00 H new ATOM 599 N GLU A 43 -6.575 3.820 -11.267 1.00 0.00 N ATOM 600 CA GLU A 43 -6.761 5.168 -10.744 1.00 0.00 C ATOM 601 C GLU A 43 -6.990 5.140 -9.235 1.00 0.00 C ATOM 602 O GLU A 43 -8.049 4.727 -8.765 1.00 0.00 O ATOM 603 CB GLU A 43 -7.942 5.851 -11.437 1.00 0.00 C ATOM 604 CG GLU A 43 -9.186 4.982 -11.517 1.00 0.00 C ATOM 605 CD GLU A 43 -10.417 5.763 -11.931 1.00 0.00 C ATOM 606 OE1 GLU A 43 -10.921 6.557 -11.109 1.00 0.00 O ATOM 607 OE2 GLU A 43 -10.877 5.581 -13.078 1.00 0.00 O ATOM 0 H GLU A 43 -7.419 3.397 -11.653 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.853 5.736 -10.946 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.184 6.769 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.644 6.138 -12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.016 4.175 -12.230 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.364 4.518 -10.547 1.00 0.00 H new ATOM 614 N GLY A 44 -5.988 5.581 -8.482 1.00 0.00 N ATOM 615 CA GLY A 44 -6.099 5.598 -7.035 1.00 0.00 C ATOM 616 C GLY A 44 -5.513 4.355 -6.394 1.00 0.00 C ATOM 617 O GLY A 44 -6.046 3.847 -5.408 1.00 0.00 O ATOM 0 H GLY A 44 -5.101 5.927 -8.848 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.589 6.479 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.149 5.687 -6.755 1.00 0.00 H new ATOM 621 N TRP A 45 -4.415 3.863 -6.957 1.00 0.00 N ATOM 622 CA TRP A 45 -3.757 2.671 -6.435 1.00 0.00 C ATOM 623 C TRP A 45 -2.248 2.871 -6.358 1.00 0.00 C ATOM 624 O TRP A 45 -1.697 3.760 -7.006 1.00 0.00 O ATOM 625 CB TRP A 45 -4.079 1.460 -7.313 1.00 0.00 C ATOM 626 CG TRP A 45 -5.525 1.069 -7.278 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.575 1.762 -7.810 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.081 -0.106 -6.678 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.750 1.089 -7.576 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.474 -0.061 -6.884 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.538 -1.193 -5.988 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.327 -1.060 -6.424 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.386 -2.184 -5.531 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.768 -2.113 -5.752 1.00 0.00 C ATOM 0 H TRP A 45 -3.962 4.271 -7.775 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.132 2.491 -5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.794 1.680 -8.342 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.473 0.614 -6.989 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.494 2.701 -8.337 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.677 1.396 -7.870 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.474 -1.258 -5.815 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.393 -1.006 -6.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.977 -3.027 -4.995 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.404 -2.905 -5.385 1.00 0.00 H new ATOM 645 N TRP A 46 -1.585 2.040 -5.562 1.00 0.00 N ATOM 646 CA TRP A 46 -0.138 2.126 -5.401 1.00 0.00 C ATOM 647 C TRP A 46 0.504 0.747 -5.497 1.00 0.00 C ATOM 648 O TRP A 46 0.001 -0.224 -4.932 1.00 0.00 O ATOM 649 CB TRP A 46 0.209 2.771 -4.057 1.00 0.00 C ATOM 650 CG TRP A 46 -0.085 4.240 -4.010 1.00 0.00 C ATOM 651 CD1 TRP A 46 0.011 5.129 -5.043 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.521 4.991 -2.872 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.339 6.387 -4.615 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.670 6.328 -3.287 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.802 4.662 -1.543 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.086 7.335 -2.419 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.215 5.662 -0.683 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.354 6.985 -1.123 1.00 0.00 C ATOM 0 H TRP A 46 -2.026 1.299 -5.018 1.00 0.00 H new ATOM 0 HA TRP A 46 0.255 2.746 -6.207 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.350 2.270 -3.267 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.267 2.613 -3.848 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.317 4.880 -6.048 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.350 7.228 -5.192 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.698 3.645 -1.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.193 8.355 -2.756 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.434 5.419 0.346 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.679 7.743 -0.426 1.00 0.00 H new ATOM 669 N LYS A 47 1.618 0.667 -6.217 1.00 0.00 N ATOM 670 CA LYS A 47 2.331 -0.594 -6.386 1.00 0.00 C ATOM 671 C LYS A 47 3.331 -0.810 -5.255 1.00 0.00 C ATOM 672 O LYS A 47 4.420 -0.235 -5.258 1.00 0.00 O ATOM 673 CB LYS A 47 3.056 -0.616 -7.734 1.00 0.00 C ATOM 674 CG LYS A 47 3.295 -2.016 -8.273 1.00 0.00 C ATOM 675 CD LYS A 47 3.454 -2.011 -9.784 1.00 0.00 C ATOM 676 CE LYS A 47 4.803 -1.444 -10.201 1.00 0.00 C ATOM 677 NZ LYS A 47 5.929 -2.320 -9.773 1.00 0.00 N ATOM 0 H LYS A 47 2.047 1.461 -6.693 1.00 0.00 H new ATOM 0 HA LYS A 47 1.600 -1.402 -6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.472 -0.051 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.014 -0.107 -7.630 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.190 -2.436 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.461 -2.661 -7.996 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.352 -3.027 -10.165 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.655 -1.420 -10.233 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.827 -1.324 -11.284 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.930 -0.452 -9.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.523 -1.812 -9.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.550 -3.182 -9.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.502 -2.579 -10.602 1.00 0.00 H new ATOM 691 N CYS A 48 2.955 -1.643 -4.291 1.00 0.00 N ATOM 692 CA CYS A 48 3.820 -1.936 -3.153 1.00 0.00 C ATOM 693 C CYS A 48 4.396 -3.344 -3.256 1.00 0.00 C ATOM 694 O CYS A 48 3.971 -4.141 -4.094 1.00 0.00 O ATOM 695 CB CYS A 48 3.044 -1.783 -1.844 1.00 0.00 C ATOM 696 SG CYS A 48 2.367 -0.128 -1.576 1.00 0.00 S ATOM 0 H CYS A 48 2.057 -2.127 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 48 4.646 -1.224 -3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.227 -2.504 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.703 -2.034 -1.012 1.00 0.00 H new ATOM 0 HG CYS A 48 1.555 -0.150 -0.561 1.00 0.00 H new ATOM 702 N LEU A 49 5.366 -3.645 -2.400 1.00 0.00 N ATOM 703 CA LEU A 49 6.002 -4.958 -2.395 1.00 0.00 C ATOM 704 C LEU A 49 5.915 -5.600 -1.015 1.00 0.00 C ATOM 705 O LEU A 49 6.252 -4.978 -0.006 1.00 0.00 O ATOM 706 CB LEU A 49 7.466 -4.838 -2.824 1.00 0.00 C ATOM 707 CG LEU A 49 8.239 -6.152 -2.943 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.515 -6.736 -1.567 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.473 -7.146 -3.803 1.00 0.00 C ATOM 0 H LEU A 49 5.729 -2.998 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 49 5.473 -5.594 -3.104 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.501 -4.330 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.983 -4.199 -2.108 1.00 0.00 H new ATOM 0 HG LEU A 49 9.195 -5.946 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.066 -7.671 -1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.106 -6.030 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.571 -6.927 -1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.038 -8.075 -3.876 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.502 -7.347 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.329 -6.729 -4.800 1.00 0.00 H new ATOM 721 N LEU A 50 5.464 -6.848 -0.976 1.00 0.00 N ATOM 722 CA LEU A 50 5.335 -7.577 0.281 1.00 0.00 C ATOM 723 C LEU A 50 5.502 -9.077 0.061 1.00 0.00 C ATOM 724 O LEU A 50 4.914 -9.650 -0.856 1.00 0.00 O ATOM 725 CB LEU A 50 3.974 -7.293 0.921 1.00 0.00 C ATOM 726 CG LEU A 50 3.773 -7.832 2.338 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.278 -6.831 3.366 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.306 -8.156 2.581 1.00 0.00 C ATOM 0 H LEU A 50 5.181 -7.377 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 50 6.124 -7.237 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.822 -6.214 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.199 -7.714 0.280 1.00 0.00 H new ATOM 0 HG LEU A 50 4.350 -8.751 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.127 -7.231 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.340 -6.648 3.205 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.729 -5.895 3.263 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.181 -8.538 3.594 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.709 -7.253 2.458 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.976 -8.909 1.866 1.00 0.00 H new ATOM 740 N HIS A 51 6.308 -9.708 0.910 1.00 0.00 N ATOM 741 CA HIS A 51 6.550 -11.143 0.810 1.00 0.00 C ATOM 742 C HIS A 51 6.691 -11.570 -0.648 1.00 0.00 C ATOM 743 O HIS A 51 6.323 -12.684 -1.017 1.00 0.00 O ATOM 744 CB HIS A 51 5.414 -11.921 1.474 1.00 0.00 C ATOM 745 CG HIS A 51 5.388 -11.787 2.966 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.370 -12.304 3.785 1.00 0.00 N ATOM 747 CD2 HIS A 51 4.492 -11.189 3.785 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.078 -12.031 5.044 1.00 0.00 C ATOM 749 NE2 HIS A 51 4.943 -11.355 5.072 1.00 0.00 N ATOM 0 H HIS A 51 6.804 -9.249 1.674 1.00 0.00 H new ATOM 0 HA HIS A 51 7.483 -11.366 1.327 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.463 -11.575 1.070 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.506 -12.975 1.214 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.590 -10.677 3.483 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.667 -12.313 5.904 1.00 0.00 H new ATOM 0 HE2 HIS A 51 4.477 -11.012 5.912 1.00 0.00 H new ATOM 758 N GLY A 52 7.227 -10.675 -1.473 1.00 0.00 N ATOM 759 CA GLY A 52 7.406 -10.977 -2.881 1.00 0.00 C ATOM 760 C GLY A 52 6.093 -11.010 -3.638 1.00 0.00 C ATOM 761 O GLY A 52 5.798 -11.978 -4.339 1.00 0.00 O ATOM 0 H GLY A 52 7.540 -9.746 -1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.062 -10.230 -3.329 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.905 -11.941 -2.982 1.00 0.00 H new ATOM 765 N ARG A 53 5.303 -9.951 -3.496 1.00 0.00 N ATOM 766 CA ARG A 53 4.014 -9.864 -4.170 1.00 0.00 C ATOM 767 C ARG A 53 4.086 -8.911 -5.360 1.00 0.00 C ATOM 768 O ARG A 53 3.798 -9.296 -6.493 1.00 0.00 O ATOM 769 CB ARG A 53 2.934 -9.396 -3.193 1.00 0.00 C ATOM 770 CG ARG A 53 2.384 -10.508 -2.315 1.00 0.00 C ATOM 771 CD ARG A 53 0.955 -10.219 -1.881 1.00 0.00 C ATOM 772 NE ARG A 53 0.204 -11.445 -1.622 1.00 0.00 N ATOM 773 CZ ARG A 53 0.281 -12.128 -0.486 1.00 0.00 C ATOM 774 NH1 ARG A 53 1.071 -11.707 0.492 1.00 0.00 N ATOM 775 NH2 ARG A 53 -0.434 -13.234 -0.325 1.00 0.00 N ATOM 0 H ARG A 53 5.533 -9.141 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 53 3.756 -10.858 -4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.346 -8.613 -2.557 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.114 -8.951 -3.757 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.417 -11.452 -2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.016 -10.625 -1.435 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.967 -9.604 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.450 -9.641 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.414 -11.796 -2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.621 -10.857 0.373 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.128 -12.234 1.364 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.044 -13.561 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.374 -13.758 0.548 1.00 0.00 H new ATOM 789 N GLN A 54 4.470 -7.667 -5.094 1.00 0.00 N ATOM 790 CA GLN A 54 4.578 -6.660 -6.143 1.00 0.00 C ATOM 791 C GLN A 54 3.219 -6.387 -6.777 1.00 0.00 C ATOM 792 O GLN A 54 3.058 -6.485 -7.993 1.00 0.00 O ATOM 793 CB GLN A 54 5.572 -7.113 -7.214 1.00 0.00 C ATOM 794 CG GLN A 54 7.013 -6.740 -6.904 1.00 0.00 C ATOM 795 CD GLN A 54 7.850 -6.557 -8.155 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.743 -7.356 -8.440 1.00 0.00 O ATOM 797 NE2 GLN A 54 7.565 -5.503 -8.910 1.00 0.00 N ATOM 0 H GLN A 54 4.712 -7.332 -4.161 1.00 0.00 H new ATOM 0 HA GLN A 54 4.939 -5.737 -5.690 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.502 -8.195 -7.328 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.289 -6.672 -8.170 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.029 -5.818 -6.323 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.460 -7.516 -6.283 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.816 -4.867 -8.636 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.095 -5.329 -9.764 1.00 0.00 H new ATOM 806 N GLY A 55 2.241 -6.044 -5.944 1.00 0.00 N ATOM 807 CA GLY A 55 0.907 -5.762 -6.442 1.00 0.00 C ATOM 808 C GLY A 55 0.446 -4.359 -6.102 1.00 0.00 C ATOM 809 O GLY A 55 1.128 -3.630 -5.380 1.00 0.00 O ATOM 0 H GLY A 55 2.349 -5.956 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.891 -5.894 -7.524 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.206 -6.483 -6.022 1.00 0.00 H new ATOM 813 N LEU A 56 -0.715 -3.976 -6.623 1.00 0.00 N ATOM 814 CA LEU A 56 -1.267 -2.649 -6.372 1.00 0.00 C ATOM 815 C LEU A 56 -1.982 -2.603 -5.026 1.00 0.00 C ATOM 816 O LEU A 56 -2.241 -3.638 -4.414 1.00 0.00 O ATOM 817 CB LEU A 56 -2.234 -2.258 -7.491 1.00 0.00 C ATOM 818 CG LEU A 56 -1.661 -2.269 -8.908 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.769 -2.083 -9.933 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.601 -1.189 -9.064 1.00 0.00 C ATOM 0 H LEU A 56 -1.292 -4.566 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.442 -1.937 -6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.087 -2.936 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.614 -1.258 -7.282 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.192 -3.237 -9.082 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.342 -2.093 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.492 -2.893 -9.838 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.268 -1.129 -9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.205 -1.212 -10.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.045 -0.213 -8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.207 -1.367 -8.355 1.00 0.00 H new ATOM 832 N ALA A 57 -2.299 -1.395 -4.572 1.00 0.00 N ATOM 833 CA ALA A 57 -2.989 -1.213 -3.301 1.00 0.00 C ATOM 834 C ALA A 57 -3.799 0.079 -3.295 1.00 0.00 C ATOM 835 O ALA A 57 -3.390 1.099 -3.850 1.00 0.00 O ATOM 836 CB ALA A 57 -1.989 -1.217 -2.154 1.00 0.00 C ATOM 0 H ALA A 57 -2.089 -0.528 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.681 -2.044 -3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.517 -1.080 -1.210 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.458 -2.169 -2.138 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.275 -0.405 -2.291 1.00 0.00 H new ATOM 842 N PRO A 58 -4.977 0.037 -2.654 1.00 0.00 N ATOM 843 CA PRO A 58 -5.869 1.196 -2.562 1.00 0.00 C ATOM 844 C PRO A 58 -5.307 2.289 -1.660 1.00 0.00 C ATOM 845 O PRO A 58 -5.256 2.136 -0.440 1.00 0.00 O ATOM 846 CB PRO A 58 -7.149 0.611 -1.958 1.00 0.00 C ATOM 847 CG PRO A 58 -6.697 -0.592 -1.205 1.00 0.00 C ATOM 848 CD PRO A 58 -5.527 -1.146 -1.971 1.00 0.00 C ATOM 0 HA PRO A 58 -6.017 1.674 -3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.640 1.328 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.867 0.346 -2.734 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.408 -0.329 -0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.497 -1.328 -1.129 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.793 -1.605 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.838 -1.912 -2.681 1.00 0.00 H new ATOM 856 N ALA A 59 -4.886 3.393 -2.269 1.00 0.00 N ATOM 857 CA ALA A 59 -4.330 4.514 -1.520 1.00 0.00 C ATOM 858 C ALA A 59 -5.322 5.027 -0.482 1.00 0.00 C ATOM 859 O ALA A 59 -4.964 5.807 0.399 1.00 0.00 O ATOM 860 CB ALA A 59 -3.928 5.634 -2.468 1.00 0.00 C ATOM 0 H ALA A 59 -4.919 3.535 -3.278 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.443 4.163 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.515 6.464 -1.896 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.178 5.266 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.804 5.975 -3.021 1.00 0.00 H new ATOM 866 N ASN A 60 -6.570 4.584 -0.593 1.00 0.00 N ATOM 867 CA ASN A 60 -7.614 5.000 0.336 1.00 0.00 C ATOM 868 C ASN A 60 -7.514 4.228 1.648 1.00 0.00 C ATOM 869 O ASN A 60 -8.004 4.678 2.684 1.00 0.00 O ATOM 870 CB ASN A 60 -8.995 4.789 -0.288 1.00 0.00 C ATOM 871 CG ASN A 60 -10.118 5.001 0.708 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.954 5.703 1.706 1.00 0.00 O ATOM 873 ND2 ASN A 60 -11.268 4.392 0.442 1.00 0.00 N ATOM 0 H ASN A 60 -6.883 3.937 -1.317 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.476 6.060 0.547 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.121 5.476 -1.125 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.057 3.779 -0.692 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.059 4.497 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.360 3.819 -0.397 1.00 0.00 H new ATOM 880 N ARG A 61 -6.874 3.064 1.596 1.00 0.00 N ATOM 881 CA ARG A 61 -6.709 2.229 2.780 1.00 0.00 C ATOM 882 C ARG A 61 -5.265 2.260 3.270 1.00 0.00 C ATOM 883 O ARG A 61 -4.899 1.544 4.204 1.00 0.00 O ATOM 884 CB ARG A 61 -7.126 0.789 2.477 1.00 0.00 C ATOM 885 CG ARG A 61 -8.536 0.666 1.923 1.00 0.00 C ATOM 886 CD ARG A 61 -9.101 -0.728 2.143 1.00 0.00 C ATOM 887 NE ARG A 61 -10.558 -0.719 2.242 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.264 -1.702 2.790 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.649 -2.767 3.286 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.587 -1.620 2.843 1.00 0.00 N ATOM 0 H ARG A 61 -6.461 2.678 0.747 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.350 2.627 3.567 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.425 0.360 1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.051 0.198 3.390 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.182 1.401 2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.530 0.894 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.798 -1.376 1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.678 -1.151 3.055 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.061 0.086 1.870 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.632 -2.833 3.247 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.193 -3.520 3.706 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.063 -0.802 2.463 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.128 -2.375 3.264 1.00 0.00 H new ATOM 904 N LEU A 62 -4.447 3.092 2.634 1.00 0.00 N ATOM 905 CA LEU A 62 -3.042 3.216 3.005 1.00 0.00 C ATOM 906 C LEU A 62 -2.795 4.505 3.782 1.00 0.00 C ATOM 907 O LEU A 62 -3.592 5.441 3.718 1.00 0.00 O ATOM 908 CB LEU A 62 -2.160 3.183 1.755 1.00 0.00 C ATOM 909 CG LEU A 62 -1.783 1.796 1.236 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.090 0.988 2.323 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.016 1.063 0.729 1.00 0.00 C ATOM 0 H LEU A 62 -4.733 3.691 1.859 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.785 2.373 3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.674 3.720 0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.242 3.731 1.968 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.089 1.917 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.829 0.004 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.184 1.505 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.760 0.876 3.176 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.729 0.077 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.734 0.953 1.542 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.470 1.633 -0.082 1.00 0.00 H new ATOM 923 N GLN A 63 -1.686 4.546 4.513 1.00 0.00 N ATOM 924 CA GLN A 63 -1.334 5.721 5.301 1.00 0.00 C ATOM 925 C GLN A 63 0.104 6.149 5.029 1.00 0.00 C ATOM 926 O GLN A 63 1.050 5.512 5.494 1.00 0.00 O ATOM 927 CB GLN A 63 -1.520 5.436 6.792 1.00 0.00 C ATOM 928 CG GLN A 63 -0.933 6.509 7.695 1.00 0.00 C ATOM 929 CD GLN A 63 -0.999 6.137 9.163 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.106 4.962 9.513 1.00 0.00 O ATOM 931 NE2 GLN A 63 -0.935 7.140 10.031 1.00 0.00 N ATOM 0 H GLN A 63 -1.016 3.779 4.576 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.997 6.535 5.008 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.585 5.337 7.004 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.057 4.479 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.106 6.686 7.415 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.469 7.445 7.537 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.846 8.099 9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.974 6.951 11.033 1.00 0.00 H new ATOM 940 N ILE A 64 0.262 7.230 4.272 1.00 0.00 N ATOM 941 CA ILE A 64 1.585 7.742 3.938 1.00 0.00 C ATOM 942 C ILE A 64 2.282 8.308 5.171 1.00 0.00 C ATOM 943 O ILE A 64 1.804 9.262 5.785 1.00 0.00 O ATOM 944 CB ILE A 64 1.509 8.837 2.857 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.791 8.308 1.614 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.904 9.328 2.502 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.562 7.229 0.885 1.00 0.00 C ATOM 0 H ILE A 64 -0.510 7.768 3.879 1.00 0.00 H new ATOM 0 HA ILE A 64 2.161 6.901 3.551 1.00 0.00 H new ATOM 0 HB ILE A 64 0.939 9.678 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.182 7.914 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.607 9.137 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.834 10.101 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.382 9.739 3.391 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.497 8.496 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.994 6.901 0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.525 7.625 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.724 6.383 1.553 1.00 0.00 H new ATOM 959 N LEU A 65 3.416 7.714 5.527 1.00 0.00 N ATOM 960 CA LEU A 65 4.182 8.159 6.686 1.00 0.00 C ATOM 961 C LEU A 65 5.270 9.145 6.273 1.00 0.00 C ATOM 962 O LEU A 65 6.423 8.764 6.071 1.00 0.00 O ATOM 963 CB LEU A 65 4.808 6.960 7.399 1.00 0.00 C ATOM 964 CG LEU A 65 3.842 5.854 7.826 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.604 4.582 8.164 1.00 0.00 C ATOM 966 CD2 LEU A 65 3.003 6.306 9.012 1.00 0.00 C ATOM 0 H LEU A 65 3.825 6.923 5.030 1.00 0.00 H new ATOM 0 HA LEU A 65 3.500 8.664 7.370 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.560 6.524 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.330 7.321 8.285 1.00 0.00 H new ATOM 0 HG LEU A 65 3.172 5.642 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.901 3.806 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.160 4.247 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.298 4.780 8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.322 5.506 9.302 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.657 6.547 9.850 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.428 7.190 8.735 1.00 0.00 H new