USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 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= 0.859 K(o=0.86,f=-0.29) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0157 USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00668 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.81! K(o=-1.8!,f=-0.19) USER MOD Single : A 38 HIS : no HD1:sc=-0.00617 X(o=-0.0062,f=-0.29) USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 180:sc= -1.02 USER MOD Single : A 51 HIS : no HD1:sc= -0.23 X(o=-0.23,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 60 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.00027) USER MOD Single : A 63 GLN : amide:sc= -0.737 K(o=-0.74,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.337 5.319 -3.375 1.00 0.00 N ATOM 60 CA GLY A 7 10.956 4.299 -2.416 1.00 0.00 C ATOM 61 C GLY A 7 10.290 4.880 -1.184 1.00 0.00 C ATOM 62 O GLY A 7 10.952 5.481 -0.337 1.00 0.00 O ATOM 0 HA2 GLY A 7 10.277 3.592 -2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.841 3.738 -2.116 1.00 0.00 H new ATOM 66 N LEU A 8 8.978 4.703 -1.084 1.00 0.00 N ATOM 67 CA LEU A 8 8.221 5.216 0.053 1.00 0.00 C ATOM 68 C LEU A 8 7.576 4.077 0.836 1.00 0.00 C ATOM 69 O LEU A 8 7.496 2.946 0.356 1.00 0.00 O ATOM 70 CB LEU A 8 7.147 6.195 -0.424 1.00 0.00 C ATOM 71 CG LEU A 8 7.618 7.620 -0.713 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.184 8.261 0.545 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.654 7.624 -1.828 1.00 0.00 C ATOM 0 H LEU A 8 8.416 4.208 -1.776 1.00 0.00 H new ATOM 0 HA LEU A 8 8.913 5.739 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.694 5.793 -1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.363 6.239 0.332 1.00 0.00 H new ATOM 0 HG LEU A 8 6.759 8.206 -1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.514 9.275 0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.413 8.293 1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.031 7.675 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.978 8.647 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.512 7.022 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.215 7.206 -2.734 1.00 0.00 H new ATOM 85 N LEU A 9 7.115 4.384 2.044 1.00 0.00 N ATOM 86 CA LEU A 9 6.474 3.387 2.894 1.00 0.00 C ATOM 87 C LEU A 9 5.079 3.842 3.311 1.00 0.00 C ATOM 88 O LEU A 9 4.871 5.007 3.650 1.00 0.00 O ATOM 89 CB LEU A 9 7.328 3.120 4.135 1.00 0.00 C ATOM 90 CG LEU A 9 8.804 2.812 3.880 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.631 3.095 5.124 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.978 1.365 3.439 1.00 0.00 C ATOM 0 H LEU A 9 7.173 5.315 2.456 1.00 0.00 H new ATOM 0 HA LEU A 9 6.379 2.465 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.267 3.991 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.891 2.282 4.679 1.00 0.00 H new ATOM 0 HG LEU A 9 9.158 3.461 3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.679 2.870 4.924 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.531 4.146 5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.277 2.472 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.034 1.163 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.607 0.700 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.417 1.195 2.520 1.00 0.00 H new ATOM 104 N ALA A 10 4.127 2.915 3.286 1.00 0.00 N ATOM 105 CA ALA A 10 2.754 3.220 3.666 1.00 0.00 C ATOM 106 C ALA A 10 2.214 2.188 4.650 1.00 0.00 C ATOM 107 O ALA A 10 2.614 1.024 4.626 1.00 0.00 O ATOM 108 CB ALA A 10 1.867 3.288 2.431 1.00 0.00 C ATOM 0 H ALA A 10 4.282 1.946 3.006 1.00 0.00 H new ATOM 0 HA ALA A 10 2.748 4.192 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.844 3.517 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.233 4.068 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.888 2.328 1.915 1.00 0.00 H new ATOM 114 N ARG A 11 1.305 2.623 5.517 1.00 0.00 N ATOM 115 CA ARG A 11 0.712 1.737 6.511 1.00 0.00 C ATOM 116 C ARG A 11 -0.618 1.176 6.016 1.00 0.00 C ATOM 117 O ARG A 11 -1.215 1.704 5.078 1.00 0.00 O ATOM 118 CB ARG A 11 0.503 2.483 7.830 1.00 0.00 C ATOM 119 CG ARG A 11 0.077 1.583 8.978 1.00 0.00 C ATOM 120 CD ARG A 11 -0.153 2.378 10.254 1.00 0.00 C ATOM 121 NE ARG A 11 0.129 1.588 11.450 1.00 0.00 N ATOM 122 CZ ARG A 11 1.357 1.308 11.873 1.00 0.00 C ATOM 123 NH1 ARG A 11 2.410 1.751 11.201 1.00 0.00 N ATOM 124 NH2 ARG A 11 1.532 0.583 12.970 1.00 0.00 N ATOM 0 H ARG A 11 0.963 3.584 5.551 1.00 0.00 H new ATOM 0 HA ARG A 11 1.398 0.906 6.675 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.429 2.990 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.253 3.255 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.837 1.055 8.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.842 0.827 9.152 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.481 3.265 10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.186 2.725 10.284 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.660 1.232 11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.279 2.308 10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.352 1.535 11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 11 0.724 0.240 13.489 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.475 0.368 13.294 1.00 0.00 H new ATOM 138 N ALA A 12 -1.075 0.102 6.652 1.00 0.00 N ATOM 139 CA ALA A 12 -2.334 -0.530 6.277 1.00 0.00 C ATOM 140 C ALA A 12 -3.384 -0.350 7.368 1.00 0.00 C ATOM 141 O ALA A 12 -3.385 -1.068 8.369 1.00 0.00 O ATOM 142 CB ALA A 12 -2.117 -2.008 5.989 1.00 0.00 C ATOM 0 H ALA A 12 -0.592 -0.348 7.429 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.701 -0.045 5.372 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.065 -2.467 5.710 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.406 -2.119 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.724 -2.498 6.880 1.00 0.00 H new ATOM 148 N LEU A 13 -4.278 0.613 7.169 1.00 0.00 N ATOM 149 CA LEU A 13 -5.334 0.888 8.137 1.00 0.00 C ATOM 150 C LEU A 13 -6.322 -0.272 8.209 1.00 0.00 C ATOM 151 O LEU A 13 -7.061 -0.412 9.184 1.00 0.00 O ATOM 152 CB LEU A 13 -6.070 2.177 7.766 1.00 0.00 C ATOM 153 CG LEU A 13 -5.189 3.394 7.481 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.938 4.407 6.629 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.721 4.031 8.781 1.00 0.00 C ATOM 0 H LEU A 13 -4.292 1.216 6.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.872 1.009 9.117 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.682 1.982 6.885 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.752 2.429 8.578 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.312 3.061 6.927 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.296 5.266 6.436 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.222 3.947 5.683 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.834 4.735 7.157 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.095 4.895 8.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.586 4.350 9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.146 3.305 9.355 1.00 0.00 H new ATOM 167 N TYR A 14 -6.328 -1.102 7.172 1.00 0.00 N ATOM 168 CA TYR A 14 -7.225 -2.250 7.117 1.00 0.00 C ATOM 169 C TYR A 14 -6.715 -3.293 6.128 1.00 0.00 C ATOM 170 O TYR A 14 -6.133 -2.955 5.097 1.00 0.00 O ATOM 171 CB TYR A 14 -8.635 -1.804 6.724 1.00 0.00 C ATOM 172 CG TYR A 14 -8.985 -0.413 7.202 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.574 -0.213 8.445 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.729 0.700 6.411 1.00 0.00 C ATOM 175 CE1 TYR A 14 -9.896 1.056 8.886 1.00 0.00 C ATOM 176 CE2 TYR A 14 -9.047 1.972 6.844 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.631 2.145 8.082 1.00 0.00 C ATOM 178 OH TYR A 14 -9.951 3.411 8.517 1.00 0.00 O ATOM 0 H TYR A 14 -5.722 -1.001 6.358 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.257 -2.701 8.109 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.729 -1.841 5.639 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.357 -2.512 7.131 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.783 -1.064 9.077 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.273 0.568 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.353 1.195 9.855 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.840 2.827 6.217 1.00 0.00 H new ATOM 0 HH TYR A 14 -9.698 4.066 7.833 1.00 0.00 H new ATOM 188 N ASP A 15 -6.939 -4.563 6.449 1.00 0.00 N ATOM 189 CA ASP A 15 -6.504 -5.657 5.589 1.00 0.00 C ATOM 190 C ASP A 15 -7.143 -5.550 4.208 1.00 0.00 C ATOM 191 O ASP A 15 -8.211 -4.959 4.052 1.00 0.00 O ATOM 192 CB ASP A 15 -6.856 -7.004 6.224 1.00 0.00 C ATOM 193 CG ASP A 15 -6.926 -8.124 5.205 1.00 0.00 C ATOM 194 OD1 ASP A 15 -7.943 -8.208 4.486 1.00 0.00 O ATOM 195 OD2 ASP A 15 -5.963 -8.916 5.127 1.00 0.00 O ATOM 0 H ASP A 15 -7.419 -4.860 7.299 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.422 -5.589 5.475 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.111 -7.251 6.981 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.815 -6.922 6.735 1.00 0.00 H new ATOM 200 N ASN A 16 -6.481 -6.124 3.209 1.00 0.00 N ATOM 201 CA ASN A 16 -6.984 -6.091 1.840 1.00 0.00 C ATOM 202 C ASN A 16 -7.095 -7.501 1.268 1.00 0.00 C ATOM 203 O ASN A 16 -6.154 -8.292 1.351 1.00 0.00 O ATOM 204 CB ASN A 16 -6.067 -5.241 0.958 1.00 0.00 C ATOM 205 CG ASN A 16 -6.568 -5.142 -0.470 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.585 -4.503 -0.740 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.854 -5.777 -1.392 1.00 0.00 N ATOM 0 H ASN A 16 -5.595 -6.617 3.321 1.00 0.00 H new ATOM 0 HA ASN A 16 -7.978 -5.644 1.855 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.985 -4.240 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.065 -5.671 0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.142 -5.747 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.017 -6.295 -1.122 1.00 0.00 H new ATOM 214 N CYS A 17 -8.249 -7.808 0.687 1.00 0.00 N ATOM 215 CA CYS A 17 -8.484 -9.123 0.100 1.00 0.00 C ATOM 216 C CYS A 17 -8.573 -9.032 -1.420 1.00 0.00 C ATOM 217 O CYS A 17 -9.655 -8.926 -1.998 1.00 0.00 O ATOM 218 CB CYS A 17 -9.768 -9.734 0.662 1.00 0.00 C ATOM 219 SG CYS A 17 -10.203 -11.333 -0.060 1.00 0.00 S ATOM 0 H CYS A 17 -9.037 -7.165 0.610 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.642 -9.764 0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.660 -9.852 1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.591 -9.038 0.498 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.302 -11.769 0.481 1.00 0.00 H new ATOM 225 N PRO A 18 -7.409 -9.073 -2.085 1.00 0.00 N ATOM 226 CA PRO A 18 -7.328 -8.996 -3.546 1.00 0.00 C ATOM 227 C PRO A 18 -7.872 -10.249 -4.224 1.00 0.00 C ATOM 228 O PRO A 18 -8.012 -11.296 -3.592 1.00 0.00 O ATOM 229 CB PRO A 18 -5.827 -8.852 -3.812 1.00 0.00 C ATOM 230 CG PRO A 18 -5.172 -9.472 -2.627 1.00 0.00 C ATOM 231 CD PRO A 18 -6.081 -9.199 -1.460 1.00 0.00 C ATOM 0 HA PRO A 18 -7.925 -8.176 -3.944 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.538 -9.357 -4.734 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.542 -7.805 -3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.036 -10.544 -2.773 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.183 -9.045 -2.460 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.055 -10.010 -0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.797 -8.288 -0.933 1.00 0.00 H new ATOM 239 N ASP A 19 -8.175 -10.135 -5.512 1.00 0.00 N ATOM 240 CA ASP A 19 -8.702 -11.260 -6.276 1.00 0.00 C ATOM 241 C ASP A 19 -7.843 -11.530 -7.507 1.00 0.00 C ATOM 242 O ASP A 19 -7.826 -12.645 -8.032 1.00 0.00 O ATOM 243 CB ASP A 19 -10.147 -10.985 -6.698 1.00 0.00 C ATOM 244 CG ASP A 19 -10.876 -10.089 -5.717 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.400 -10.611 -4.711 1.00 0.00 O ATOM 246 OD2 ASP A 19 -10.921 -8.864 -5.954 1.00 0.00 O ATOM 0 H ASP A 19 -8.065 -9.275 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.679 -12.143 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.152 -10.520 -7.684 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.682 -11.930 -6.789 1.00 0.00 H new ATOM 251 N CYS A 20 -7.131 -10.505 -7.963 1.00 0.00 N ATOM 252 CA CYS A 20 -6.271 -10.632 -9.133 1.00 0.00 C ATOM 253 C CYS A 20 -4.801 -10.514 -8.743 1.00 0.00 C ATOM 254 O CYS A 20 -4.452 -9.790 -7.811 1.00 0.00 O ATOM 255 CB CYS A 20 -6.623 -9.564 -10.170 1.00 0.00 C ATOM 256 SG CYS A 20 -8.315 -9.675 -10.798 1.00 0.00 S ATOM 0 H CYS A 20 -7.133 -9.577 -7.540 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.435 -11.618 -9.568 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.475 -8.579 -9.726 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.930 -9.644 -11.008 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.518 -8.730 -11.667 1.00 0.00 H new ATOM 262 N SER A 21 -3.943 -11.231 -9.462 1.00 0.00 N ATOM 263 CA SER A 21 -2.511 -11.211 -9.187 1.00 0.00 C ATOM 264 C SER A 21 -1.998 -9.778 -9.087 1.00 0.00 C ATOM 265 O SER A 21 -1.258 -9.435 -8.164 1.00 0.00 O ATOM 266 CB SER A 21 -1.750 -11.962 -10.282 1.00 0.00 C ATOM 267 OG SER A 21 -0.381 -12.102 -9.946 1.00 0.00 O ATOM 0 H SER A 21 -4.215 -11.833 -10.239 1.00 0.00 H new ATOM 0 HA SER A 21 -2.342 -11.707 -8.231 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.194 -12.946 -10.428 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.843 -11.426 -11.227 1.00 0.00 H new ATOM 0 HG SER A 21 0.083 -12.586 -10.660 1.00 0.00 H new ATOM 273 N ASP A 22 -2.395 -8.946 -10.043 1.00 0.00 N ATOM 274 CA ASP A 22 -1.977 -7.549 -10.063 1.00 0.00 C ATOM 275 C ASP A 22 -2.127 -6.917 -8.683 1.00 0.00 C ATOM 276 O ASP A 22 -1.206 -6.273 -8.182 1.00 0.00 O ATOM 277 CB ASP A 22 -2.796 -6.764 -11.089 1.00 0.00 C ATOM 278 CG ASP A 22 -4.208 -7.296 -11.232 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.098 -6.823 -10.495 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.424 -8.187 -12.081 1.00 0.00 O ATOM 0 H ASP A 22 -3.006 -9.214 -10.815 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.925 -7.514 -10.346 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.834 -5.715 -10.794 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.296 -6.805 -12.057 1.00 0.00 H new ATOM 285 N GLU A 23 -3.294 -7.105 -8.074 1.00 0.00 N ATOM 286 CA GLU A 23 -3.564 -6.551 -6.753 1.00 0.00 C ATOM 287 C GLU A 23 -2.600 -7.122 -5.716 1.00 0.00 C ATOM 288 O GLU A 23 -1.913 -8.112 -5.970 1.00 0.00 O ATOM 289 CB GLU A 23 -5.007 -6.843 -6.338 1.00 0.00 C ATOM 290 CG GLU A 23 -5.602 -5.789 -5.420 1.00 0.00 C ATOM 291 CD GLU A 23 -7.050 -6.071 -5.068 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.726 -6.768 -5.854 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.507 -5.596 -4.007 1.00 0.00 O ATOM 0 H GLU A 23 -4.067 -7.637 -8.475 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.419 -5.472 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.624 -6.923 -7.233 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.043 -7.811 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.013 -5.736 -4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.532 -4.813 -5.900 1.00 0.00 H new ATOM 300 N LEU A 24 -2.555 -6.491 -4.548 1.00 0.00 N ATOM 301 CA LEU A 24 -1.675 -6.935 -3.472 1.00 0.00 C ATOM 302 C LEU A 24 -2.484 -7.436 -2.280 1.00 0.00 C ATOM 303 O LEU A 24 -3.517 -6.864 -1.933 1.00 0.00 O ATOM 304 CB LEU A 24 -0.755 -5.793 -3.036 1.00 0.00 C ATOM 305 CG LEU A 24 0.615 -6.205 -2.497 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.621 -5.079 -2.680 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.515 -6.599 -1.030 1.00 0.00 C ATOM 0 H LEU A 24 -3.117 -5.671 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.068 -7.759 -3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.604 -5.129 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.267 -5.214 -2.267 1.00 0.00 H new ATOM 0 HG LEU A 24 0.961 -7.070 -3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.590 -5.390 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.714 -4.843 -3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.280 -4.195 -2.141 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.500 -6.889 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.147 -5.753 -0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.173 -7.438 -0.925 1.00 0.00 H new ATOM 319 N ALA A 25 -2.006 -8.507 -1.656 1.00 0.00 N ATOM 320 CA ALA A 25 -2.681 -9.083 -0.500 1.00 0.00 C ATOM 321 C ALA A 25 -1.932 -8.764 0.789 1.00 0.00 C ATOM 322 O ALA A 25 -0.874 -9.332 1.061 1.00 0.00 O ATOM 323 CB ALA A 25 -2.828 -10.588 -0.669 1.00 0.00 C ATOM 0 H ALA A 25 -1.153 -8.994 -1.932 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.674 -8.638 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.334 -11.004 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.414 -10.798 -1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.842 -11.041 -0.767 1.00 0.00 H new ATOM 329 N PHE A 26 -2.487 -7.852 1.581 1.00 0.00 N ATOM 330 CA PHE A 26 -1.869 -7.456 2.841 1.00 0.00 C ATOM 331 C PHE A 26 -2.894 -7.453 3.971 1.00 0.00 C ATOM 332 O PHE A 26 -4.101 -7.460 3.729 1.00 0.00 O ATOM 333 CB PHE A 26 -1.234 -6.070 2.709 1.00 0.00 C ATOM 334 CG PHE A 26 -2.203 -5.005 2.284 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.994 -4.356 3.218 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.323 -4.652 0.949 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.887 -3.375 2.829 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.213 -3.671 0.555 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.997 -3.033 1.496 1.00 0.00 C ATOM 0 H PHE A 26 -3.363 -7.374 1.372 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.092 -8.182 3.080 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.793 -5.788 3.665 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.420 -6.119 1.985 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.912 -4.620 4.262 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.714 -5.149 0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.498 -2.877 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.295 -3.403 -0.488 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.695 -2.268 1.190 1.00 0.00 H new ATOM 349 N SER A 27 -2.404 -7.442 5.207 1.00 0.00 N ATOM 350 CA SER A 27 -3.276 -7.442 6.375 1.00 0.00 C ATOM 351 C SER A 27 -3.035 -6.204 7.233 1.00 0.00 C ATOM 352 O SER A 27 -2.027 -5.515 7.079 1.00 0.00 O ATOM 353 CB SER A 27 -3.049 -8.706 7.208 1.00 0.00 C ATOM 354 OG SER A 27 -4.053 -8.852 8.197 1.00 0.00 O ATOM 0 H SER A 27 -1.408 -7.433 5.425 1.00 0.00 H new ATOM 0 HA SER A 27 -4.309 -7.426 6.026 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.047 -9.579 6.556 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.069 -8.661 7.684 1.00 0.00 H new ATOM 0 HG SER A 27 -3.886 -9.668 8.714 1.00 0.00 H new ATOM 360 N ARG A 28 -3.969 -5.928 8.139 1.00 0.00 N ATOM 361 CA ARG A 28 -3.859 -4.773 9.021 1.00 0.00 C ATOM 362 C ARG A 28 -2.485 -4.722 9.682 1.00 0.00 C ATOM 363 O ARG A 28 -1.869 -5.756 9.937 1.00 0.00 O ATOM 364 CB ARG A 28 -4.951 -4.817 10.092 1.00 0.00 C ATOM 365 CG ARG A 28 -4.750 -3.806 11.209 1.00 0.00 C ATOM 366 CD ARG A 28 -5.162 -2.408 10.776 1.00 0.00 C ATOM 367 NE ARG A 28 -5.358 -1.517 11.917 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.360 -0.944 12.581 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.104 -1.168 12.220 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.618 -0.146 13.609 1.00 0.00 N ATOM 0 H ARG A 28 -4.809 -6.489 8.281 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.986 -3.874 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.917 -4.638 9.621 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.987 -5.818 10.522 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.333 -4.105 12.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.703 -3.800 11.512 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.398 -1.992 10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.084 -2.465 10.198 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.313 -1.324 12.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.902 -1.782 11.431 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.340 -0.727 12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.583 0.028 13.890 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.851 0.294 14.118 1.00 0.00 H new ATOM 384 N GLY A 29 -2.011 -3.511 9.958 1.00 0.00 N ATOM 385 CA GLY A 29 -0.713 -3.347 10.587 1.00 0.00 C ATOM 386 C GLY A 29 0.411 -3.931 9.755 1.00 0.00 C ATOM 387 O GLY A 29 1.251 -4.673 10.267 1.00 0.00 O ATOM 0 H GLY A 29 -2.503 -2.640 9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.525 -2.286 10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.724 -3.826 11.566 1.00 0.00 H new ATOM 391 N ASP A 30 0.428 -3.599 8.469 1.00 0.00 N ATOM 392 CA ASP A 30 1.458 -4.096 7.564 1.00 0.00 C ATOM 393 C ASP A 30 2.101 -2.949 6.790 1.00 0.00 C ATOM 394 O ASP A 30 1.427 -2.234 6.048 1.00 0.00 O ATOM 395 CB ASP A 30 0.863 -5.114 6.591 1.00 0.00 C ATOM 396 CG ASP A 30 0.590 -6.453 7.248 1.00 0.00 C ATOM 397 OD1 ASP A 30 -0.102 -6.473 8.287 1.00 0.00 O ATOM 398 OD2 ASP A 30 1.070 -7.480 6.725 1.00 0.00 O ATOM 0 H ASP A 30 -0.260 -2.988 8.029 1.00 0.00 H new ATOM 0 HA ASP A 30 2.228 -4.583 8.162 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.066 -4.719 6.179 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.548 -5.256 5.755 1.00 0.00 H new ATOM 403 N ILE A 31 3.406 -2.779 6.969 1.00 0.00 N ATOM 404 CA ILE A 31 4.139 -1.720 6.288 1.00 0.00 C ATOM 405 C ILE A 31 4.459 -2.110 4.849 1.00 0.00 C ATOM 406 O ILE A 31 5.281 -2.994 4.602 1.00 0.00 O ATOM 407 CB ILE A 31 5.451 -1.381 7.020 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.167 -1.020 8.480 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.172 -0.241 6.317 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.344 0.239 8.641 1.00 0.00 C ATOM 0 H ILE A 31 3.978 -3.362 7.580 1.00 0.00 H new ATOM 0 HA ILE A 31 3.495 -0.841 6.289 1.00 0.00 H new ATOM 0 HB ILE A 31 6.097 -2.259 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.644 -1.850 8.956 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.114 -0.896 9.006 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.097 -0.014 6.847 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.403 -0.533 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.533 0.642 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.181 0.434 9.701 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.874 1.080 8.194 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.382 0.111 8.144 1.00 0.00 H new ATOM 422 N LEU A 32 3.807 -1.445 3.902 1.00 0.00 N ATOM 423 CA LEU A 32 4.024 -1.721 2.486 1.00 0.00 C ATOM 424 C LEU A 32 5.060 -0.769 1.898 1.00 0.00 C ATOM 425 O LEU A 32 5.110 0.409 2.254 1.00 0.00 O ATOM 426 CB LEU A 32 2.708 -1.600 1.716 1.00 0.00 C ATOM 427 CG LEU A 32 1.746 -2.782 1.840 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.396 -4.055 1.320 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.302 -2.959 3.285 1.00 0.00 C ATOM 0 H LEU A 32 3.124 -0.711 4.089 1.00 0.00 H new ATOM 0 HA LEU A 32 4.400 -2.740 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.193 -0.701 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.940 -1.455 0.661 1.00 0.00 H new ATOM 0 HG LEU A 32 0.865 -2.574 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.697 -4.886 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.663 -3.925 0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.294 -4.268 1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.618 -3.805 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.173 -3.145 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.797 -2.055 3.624 1.00 0.00 H new ATOM 441 N THR A 33 5.886 -1.286 0.993 1.00 0.00 N ATOM 442 CA THR A 33 6.920 -0.482 0.355 1.00 0.00 C ATOM 443 C THR A 33 6.457 0.030 -1.005 1.00 0.00 C ATOM 444 O THR A 33 6.467 -0.707 -1.992 1.00 0.00 O ATOM 445 CB THR A 33 8.222 -1.284 0.172 1.00 0.00 C ATOM 446 OG1 THR A 33 8.710 -1.722 1.446 1.00 0.00 O ATOM 447 CG2 THR A 33 9.283 -0.443 -0.521 1.00 0.00 C ATOM 0 H THR A 33 5.858 -2.258 0.686 1.00 0.00 H new ATOM 0 HA THR A 33 7.113 0.365 1.013 1.00 0.00 H new ATOM 0 HB THR A 33 8.004 -2.151 -0.452 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.537 -2.233 1.322 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.193 -1.031 -0.639 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.920 -0.135 -1.502 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.497 0.441 0.080 1.00 0.00 H new ATOM 455 N ILE A 34 6.053 1.295 -1.049 1.00 0.00 N ATOM 456 CA ILE A 34 5.589 1.905 -2.289 1.00 0.00 C ATOM 457 C ILE A 34 6.718 2.005 -3.309 1.00 0.00 C ATOM 458 O ILE A 34 7.645 2.800 -3.149 1.00 0.00 O ATOM 459 CB ILE A 34 5.009 3.310 -2.042 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.892 3.248 -0.998 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.492 3.906 -3.343 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.479 4.605 -0.474 1.00 0.00 C ATOM 0 H ILE A 34 6.038 1.917 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 34 4.803 1.260 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 34 5.803 3.953 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 34 3.023 2.757 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.220 2.629 -0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.085 4.899 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.310 3.981 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.710 3.266 -3.751 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.684 4.484 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.335 5.090 -0.006 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.120 5.220 -1.299 1.00 0.00 H new ATOM 474 N LEU A 35 6.634 1.196 -4.359 1.00 0.00 N ATOM 475 CA LEU A 35 7.648 1.194 -5.407 1.00 0.00 C ATOM 476 C LEU A 35 7.481 2.399 -6.328 1.00 0.00 C ATOM 477 O LEU A 35 8.445 3.103 -6.626 1.00 0.00 O ATOM 478 CB LEU A 35 7.567 -0.099 -6.221 1.00 0.00 C ATOM 479 CG LEU A 35 7.663 -1.400 -5.424 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.928 -2.521 -6.141 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.119 -1.777 -5.193 1.00 0.00 C ATOM 0 H LEU A 35 5.874 0.533 -4.507 1.00 0.00 H new ATOM 0 HA LEU A 35 8.627 1.256 -4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.625 -0.101 -6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.367 -0.090 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 35 7.190 -1.245 -4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.007 -3.439 -5.559 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.878 -2.253 -6.255 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.371 -2.676 -7.125 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.169 -2.705 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.616 -1.913 -6.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.616 -0.983 -4.636 1.00 0.00 H new ATOM 493 N GLU A 36 6.250 2.631 -6.773 1.00 0.00 N ATOM 494 CA GLU A 36 5.957 3.752 -7.659 1.00 0.00 C ATOM 495 C GLU A 36 4.499 4.183 -7.528 1.00 0.00 C ATOM 496 O GLU A 36 3.587 3.366 -7.651 1.00 0.00 O ATOM 497 CB GLU A 36 6.260 3.376 -9.111 1.00 0.00 C ATOM 498 CG GLU A 36 5.529 2.131 -9.583 1.00 0.00 C ATOM 499 CD GLU A 36 6.299 1.369 -10.644 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.357 1.848 -11.795 1.00 0.00 O ATOM 501 OE2 GLU A 36 6.845 0.292 -10.322 1.00 0.00 O ATOM 0 H GLU A 36 5.440 2.058 -6.535 1.00 0.00 H new ATOM 0 HA GLU A 36 6.593 4.588 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.991 4.212 -9.757 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.333 3.220 -9.221 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.347 1.476 -8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.555 2.415 -9.980 1.00 0.00 H new ATOM 508 N GLN A 37 4.289 5.471 -7.276 1.00 0.00 N ATOM 509 CA GLN A 37 2.943 6.010 -7.126 1.00 0.00 C ATOM 510 C GLN A 37 2.384 6.460 -8.472 1.00 0.00 C ATOM 511 O GLN A 37 1.403 7.201 -8.532 1.00 0.00 O ATOM 512 CB GLN A 37 2.947 7.183 -6.145 1.00 0.00 C ATOM 513 CG GLN A 37 2.885 6.757 -4.687 1.00 0.00 C ATOM 514 CD GLN A 37 3.335 7.852 -3.740 1.00 0.00 C ATOM 515 OE1 GLN A 37 3.116 9.037 -3.992 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.969 7.460 -2.640 1.00 0.00 N ATOM 0 H GLN A 37 5.034 6.160 -7.171 1.00 0.00 H new ATOM 0 HA GLN A 37 2.304 5.219 -6.733 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.848 7.776 -6.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.097 7.830 -6.362 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.864 6.466 -4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.511 5.877 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.130 6.467 -2.470 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.295 8.152 -1.965 1.00 0.00 H new ATOM 525 N HIS A 38 3.015 6.006 -9.551 1.00 0.00 N ATOM 526 CA HIS A 38 2.580 6.362 -10.897 1.00 0.00 C ATOM 527 C HIS A 38 1.995 5.150 -11.617 1.00 0.00 C ATOM 528 O HIS A 38 2.667 4.513 -12.428 1.00 0.00 O ATOM 529 CB HIS A 38 3.750 6.931 -11.700 1.00 0.00 C ATOM 530 CG HIS A 38 4.179 8.293 -11.249 1.00 0.00 C ATOM 531 ND1 HIS A 38 4.693 8.544 -9.995 1.00 0.00 N ATOM 532 CD2 HIS A 38 4.169 9.483 -11.895 1.00 0.00 C ATOM 533 CE1 HIS A 38 4.980 9.829 -9.887 1.00 0.00 C ATOM 534 NE2 HIS A 38 4.672 10.421 -11.027 1.00 0.00 N ATOM 0 H HIS A 38 3.828 5.391 -9.519 1.00 0.00 H new ATOM 0 HA HIS A 38 1.804 7.122 -10.812 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.597 6.249 -11.625 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.470 6.977 -12.752 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.829 9.661 -12.904 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.396 10.313 -9.015 1.00 0.00 H new ATOM 0 HE2 HIS A 38 4.789 11.414 -11.230 1.00 0.00 H new ATOM 543 N VAL A 39 0.739 4.837 -11.314 1.00 0.00 N ATOM 544 CA VAL A 39 0.064 3.702 -11.932 1.00 0.00 C ATOM 545 C VAL A 39 -1.306 4.103 -12.467 1.00 0.00 C ATOM 546 O VAL A 39 -2.304 4.109 -11.746 1.00 0.00 O ATOM 547 CB VAL A 39 -0.106 2.539 -10.936 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.769 1.349 -11.612 1.00 0.00 C ATOM 549 CG2 VAL A 39 1.238 2.146 -10.343 1.00 0.00 C ATOM 0 H VAL A 39 0.169 5.353 -10.644 1.00 0.00 H new ATOM 0 HA VAL A 39 0.692 3.372 -12.760 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.753 2.870 -10.124 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.881 0.538 -10.893 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.751 1.642 -11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.151 1.013 -12.445 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.100 1.323 -9.642 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.910 1.833 -11.142 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.669 3.000 -9.820 1.00 0.00 H new ATOM 559 N PRO A 40 -1.358 4.446 -13.763 1.00 0.00 N ATOM 560 CA PRO A 40 -2.601 4.853 -14.424 1.00 0.00 C ATOM 561 C PRO A 40 -3.577 3.693 -14.591 1.00 0.00 C ATOM 562 O PRO A 40 -4.776 3.841 -14.359 1.00 0.00 O ATOM 563 CB PRO A 40 -2.128 5.354 -15.791 1.00 0.00 C ATOM 564 CG PRO A 40 -0.844 4.639 -16.033 1.00 0.00 C ATOM 565 CD PRO A 40 -0.208 4.461 -14.682 1.00 0.00 C ATOM 0 HA PRO A 40 -3.144 5.600 -13.845 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.858 5.131 -16.569 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.985 6.435 -15.789 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.018 3.676 -16.512 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.197 5.213 -16.696 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.363 3.534 -14.626 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.480 5.274 -14.451 1.00 0.00 H new ATOM 573 N GLU A 41 -3.054 2.539 -14.994 1.00 0.00 N ATOM 574 CA GLU A 41 -3.880 1.354 -15.191 1.00 0.00 C ATOM 575 C GLU A 41 -4.906 1.213 -14.071 1.00 0.00 C ATOM 576 O GLU A 41 -6.057 0.846 -14.311 1.00 0.00 O ATOM 577 CB GLU A 41 -3.005 0.100 -15.257 1.00 0.00 C ATOM 578 CG GLU A 41 -2.023 0.103 -16.416 1.00 0.00 C ATOM 579 CD GLU A 41 -2.709 -0.024 -17.762 1.00 0.00 C ATOM 580 OE1 GLU A 41 -3.058 -1.159 -18.147 1.00 0.00 O ATOM 581 OE2 GLU A 41 -2.898 1.014 -18.431 1.00 0.00 O ATOM 0 H GLU A 41 -2.063 2.400 -15.190 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.412 1.467 -16.135 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.451 0.004 -14.323 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -3.647 -0.777 -15.338 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.443 1.026 -16.394 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.318 -0.719 -16.292 1.00 0.00 H new ATOM 588 N SER A 42 -4.481 1.508 -12.846 1.00 0.00 N ATOM 589 CA SER A 42 -5.361 1.410 -11.688 1.00 0.00 C ATOM 590 C SER A 42 -5.519 2.768 -11.010 1.00 0.00 C ATOM 591 O SER A 42 -4.651 3.199 -10.251 1.00 0.00 O ATOM 592 CB SER A 42 -4.812 0.390 -10.689 1.00 0.00 C ATOM 593 OG SER A 42 -5.157 -0.932 -11.069 1.00 0.00 O ATOM 0 H SER A 42 -3.533 1.817 -12.631 1.00 0.00 H new ATOM 0 HA SER A 42 -6.340 1.079 -12.033 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.728 0.483 -10.628 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.206 0.601 -9.695 1.00 0.00 H new ATOM 0 HG SER A 42 -5.086 -1.525 -10.292 1.00 0.00 H new ATOM 599 N GLU A 43 -6.633 3.436 -11.290 1.00 0.00 N ATOM 600 CA GLU A 43 -6.905 4.745 -10.708 1.00 0.00 C ATOM 601 C GLU A 43 -7.093 4.641 -9.197 1.00 0.00 C ATOM 602 O GLU A 43 -8.040 4.017 -8.720 1.00 0.00 O ATOM 603 CB GLU A 43 -8.150 5.364 -11.346 1.00 0.00 C ATOM 604 CG GLU A 43 -7.904 5.935 -12.732 1.00 0.00 C ATOM 605 CD GLU A 43 -9.120 6.645 -13.296 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.945 5.977 -13.953 1.00 0.00 O ATOM 607 OE2 GLU A 43 -9.246 7.868 -13.078 1.00 0.00 O ATOM 0 H GLU A 43 -7.362 3.093 -11.916 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.047 5.387 -10.907 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.931 4.606 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.525 6.156 -10.697 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.068 6.633 -12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.613 5.129 -13.406 1.00 0.00 H new ATOM 614 N GLY A 44 -6.183 5.257 -8.449 1.00 0.00 N ATOM 615 CA GLY A 44 -6.265 5.221 -7.000 1.00 0.00 C ATOM 616 C GLY A 44 -5.622 3.981 -6.414 1.00 0.00 C ATOM 617 O GLY A 44 -6.148 3.386 -5.473 1.00 0.00 O ATOM 0 H GLY A 44 -5.390 5.780 -8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.780 6.107 -6.590 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.311 5.262 -6.697 1.00 0.00 H new ATOM 621 N TRP A 45 -4.482 3.588 -6.971 1.00 0.00 N ATOM 622 CA TRP A 45 -3.767 2.408 -6.497 1.00 0.00 C ATOM 623 C TRP A 45 -2.266 2.669 -6.436 1.00 0.00 C ATOM 624 O TRP A 45 -1.762 3.593 -7.074 1.00 0.00 O ATOM 625 CB TRP A 45 -4.053 1.213 -7.409 1.00 0.00 C ATOM 626 CG TRP A 45 -5.467 0.722 -7.319 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.567 1.280 -7.905 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.931 -0.424 -6.599 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.687 0.549 -7.593 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.324 -0.502 -6.793 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.306 -1.394 -5.810 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.100 -1.510 -6.227 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.077 -2.394 -5.248 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.462 -2.447 -5.459 1.00 0.00 C ATOM 0 H TRP A 45 -4.033 4.069 -7.751 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.118 2.181 -5.491 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.838 1.493 -8.440 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.376 0.398 -7.152 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.558 2.166 -8.523 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.636 0.755 -7.906 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.240 -1.363 -5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.167 -1.551 -6.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.604 -3.148 -4.636 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.037 -3.242 -5.007 1.00 0.00 H new ATOM 645 N TRP A 46 -1.559 1.849 -5.667 1.00 0.00 N ATOM 646 CA TRP A 46 -0.114 1.993 -5.524 1.00 0.00 C ATOM 647 C TRP A 46 0.580 0.639 -5.624 1.00 0.00 C ATOM 648 O TRP A 46 0.102 -0.357 -5.079 1.00 0.00 O ATOM 649 CB TRP A 46 0.223 2.655 -4.187 1.00 0.00 C ATOM 650 CG TRP A 46 -0.138 4.109 -4.136 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.129 4.992 -5.177 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.560 4.847 -2.984 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.520 6.236 -4.742 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.791 6.173 -3.401 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.768 4.517 -1.642 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.216 7.165 -2.522 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.190 5.503 -0.772 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.412 6.814 -1.214 1.00 0.00 C ATOM 0 H TRP A 46 -1.962 1.078 -5.133 1.00 0.00 H new ATOM 0 HA TRP A 46 0.246 2.626 -6.336 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.300 2.130 -3.388 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.290 2.546 -3.995 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.145 4.749 -6.193 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.596 7.071 -5.324 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.602 3.509 -1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.385 8.177 -2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.352 5.259 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.744 7.562 -0.509 1.00 0.00 H new ATOM 669 N LYS A 47 1.709 0.608 -6.324 1.00 0.00 N ATOM 670 CA LYS A 47 2.470 -0.624 -6.494 1.00 0.00 C ATOM 671 C LYS A 47 3.447 -0.824 -5.340 1.00 0.00 C ATOM 672 O LYS A 47 4.520 -0.219 -5.311 1.00 0.00 O ATOM 673 CB LYS A 47 3.231 -0.597 -7.822 1.00 0.00 C ATOM 674 CG LYS A 47 3.645 -1.974 -8.313 1.00 0.00 C ATOM 675 CD LYS A 47 2.571 -2.600 -9.186 1.00 0.00 C ATOM 676 CE LYS A 47 2.753 -2.225 -10.649 1.00 0.00 C ATOM 677 NZ LYS A 47 2.042 -3.168 -11.556 1.00 0.00 N ATOM 0 H LYS A 47 2.117 1.422 -6.783 1.00 0.00 H new ATOM 0 HA LYS A 47 1.768 -1.458 -6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.607 -0.123 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.121 0.022 -7.709 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.574 -1.896 -8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.844 -2.621 -7.459 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.602 -3.684 -9.081 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.588 -2.274 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.382 -1.213 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.815 -2.218 -10.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.191 -2.878 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.414 -4.129 -11.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.025 -3.156 -11.341 1.00 0.00 H new ATOM 691 N CYS A 48 3.071 -1.676 -4.393 1.00 0.00 N ATOM 692 CA CYS A 48 3.914 -1.956 -3.237 1.00 0.00 C ATOM 693 C CYS A 48 4.473 -3.374 -3.302 1.00 0.00 C ATOM 694 O CYS A 48 4.101 -4.159 -4.175 1.00 0.00 O ATOM 695 CB CYS A 48 3.122 -1.766 -1.943 1.00 0.00 C ATOM 696 SG CYS A 48 2.577 -0.066 -1.654 1.00 0.00 S ATOM 0 H CYS A 48 2.187 -2.185 -4.403 1.00 0.00 H new ATOM 0 HA CYS A 48 4.749 -1.255 -3.249 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.248 -2.417 -1.965 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.737 -2.087 -1.102 1.00 0.00 H new ATOM 0 HG CYS A 48 1.914 -0.007 -0.537 1.00 0.00 H new ATOM 702 N LEU A 49 5.368 -3.694 -2.375 1.00 0.00 N ATOM 703 CA LEU A 49 5.980 -5.018 -2.327 1.00 0.00 C ATOM 704 C LEU A 49 5.867 -5.620 -0.931 1.00 0.00 C ATOM 705 O LEU A 49 6.232 -4.988 0.061 1.00 0.00 O ATOM 706 CB LEU A 49 7.450 -4.937 -2.743 1.00 0.00 C ATOM 707 CG LEU A 49 8.188 -6.271 -2.865 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.333 -6.927 -1.501 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.460 -7.196 -3.830 1.00 0.00 C ATOM 0 H LEU A 49 5.687 -3.056 -1.646 1.00 0.00 H new ATOM 0 HA LEU A 49 5.446 -5.663 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.507 -4.424 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.978 -4.317 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 49 9.185 -6.079 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.860 -7.875 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.897 -6.270 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.345 -7.107 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.999 -8.141 -3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.450 -7.382 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.409 -6.729 -4.813 1.00 0.00 H new ATOM 721 N LEU A 50 5.361 -6.847 -0.861 1.00 0.00 N ATOM 722 CA LEU A 50 5.202 -7.537 0.415 1.00 0.00 C ATOM 723 C LEU A 50 5.324 -9.046 0.236 1.00 0.00 C ATOM 724 O LEU A 50 4.701 -9.630 -0.651 1.00 0.00 O ATOM 725 CB LEU A 50 3.847 -7.194 1.037 1.00 0.00 C ATOM 726 CG LEU A 50 3.574 -7.786 2.420 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.053 -6.840 3.510 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.092 -8.089 2.587 1.00 0.00 C ATOM 0 H LEU A 50 5.054 -7.384 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 50 5.996 -7.203 1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.765 -6.109 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.063 -7.530 0.359 1.00 0.00 H new ATOM 0 HG LEU A 50 4.128 -8.720 2.510 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.850 -7.278 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.125 -6.674 3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.528 -5.889 3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.916 -8.510 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.518 -7.169 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.779 -8.806 1.827 1.00 0.00 H new ATOM 740 N HIS A 51 6.131 -9.674 1.086 1.00 0.00 N ATOM 741 CA HIS A 51 6.333 -11.117 1.024 1.00 0.00 C ATOM 742 C HIS A 51 6.392 -11.596 -0.424 1.00 0.00 C ATOM 743 O HIS A 51 5.810 -12.622 -0.772 1.00 0.00 O ATOM 744 CB HIS A 51 5.212 -11.843 1.768 1.00 0.00 C ATOM 745 CG HIS A 51 5.367 -11.817 3.258 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.610 -12.947 4.009 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.315 -10.787 4.135 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.698 -12.615 5.285 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.523 -11.309 5.388 1.00 0.00 N ATOM 0 H HIS A 51 6.655 -9.206 1.825 1.00 0.00 H new ATOM 0 HA HIS A 51 7.285 -11.346 1.503 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.257 -11.389 1.502 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.176 -12.880 1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.142 -9.748 3.894 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.882 -13.295 6.104 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.540 -10.775 6.257 1.00 0.00 H new ATOM 758 N GLY A 52 7.098 -10.844 -1.263 1.00 0.00 N ATOM 759 CA GLY A 52 7.218 -11.207 -2.662 1.00 0.00 C ATOM 760 C GLY A 52 5.893 -11.143 -3.394 1.00 0.00 C ATOM 761 O GLY A 52 5.519 -12.080 -4.100 1.00 0.00 O ATOM 0 H GLY A 52 7.589 -9.990 -0.998 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.930 -10.540 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.623 -12.216 -2.739 1.00 0.00 H new ATOM 765 N ARG A 53 5.178 -10.035 -3.225 1.00 0.00 N ATOM 766 CA ARG A 53 3.885 -9.853 -3.873 1.00 0.00 C ATOM 767 C ARG A 53 4.031 -9.056 -5.166 1.00 0.00 C ATOM 768 O ARG A 53 3.697 -9.541 -6.246 1.00 0.00 O ATOM 769 CB ARG A 53 2.913 -9.141 -2.929 1.00 0.00 C ATOM 770 CG ARG A 53 2.120 -10.089 -2.044 1.00 0.00 C ATOM 771 CD ARG A 53 0.986 -10.750 -2.812 1.00 0.00 C ATOM 772 NE ARG A 53 1.409 -11.996 -3.447 1.00 0.00 N ATOM 773 CZ ARG A 53 0.691 -12.634 -4.364 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.480 -12.147 -4.752 1.00 0.00 N ATOM 775 NH2 ARG A 53 1.143 -13.762 -4.896 1.00 0.00 N ATOM 0 H ARG A 53 5.473 -9.250 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 53 3.488 -10.838 -4.117 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.473 -8.451 -2.298 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.219 -8.542 -3.519 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.784 -10.855 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.714 -9.541 -1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.158 -10.952 -2.133 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.614 -10.063 -3.573 1.00 0.00 H new ATOM 0 HE ARG A 53 2.305 -12.398 -3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.832 -11.280 -4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.029 -12.640 -5.457 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.043 -14.140 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.590 -14.251 -5.600 1.00 0.00 H new ATOM 789 N GLN A 54 4.532 -7.831 -5.045 1.00 0.00 N ATOM 790 CA GLN A 54 4.721 -6.966 -6.204 1.00 0.00 C ATOM 791 C GLN A 54 3.386 -6.646 -6.868 1.00 0.00 C ATOM 792 O GLN A 54 3.251 -6.731 -8.088 1.00 0.00 O ATOM 793 CB GLN A 54 5.660 -7.630 -7.214 1.00 0.00 C ATOM 794 CG GLN A 54 7.128 -7.314 -6.979 1.00 0.00 C ATOM 795 CD GLN A 54 7.971 -7.492 -8.226 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.765 -8.428 -9.000 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.926 -6.593 -8.429 1.00 0.00 N ATOM 0 H GLN A 54 4.814 -7.415 -4.157 1.00 0.00 H new ATOM 0 HA GLN A 54 5.168 -6.033 -5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.518 -8.710 -7.174 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.384 -7.310 -8.219 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.222 -6.287 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.513 -7.960 -6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.062 -5.834 -7.762 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.524 -6.662 -9.252 1.00 0.00 H new ATOM 806 N GLY A 55 2.401 -6.276 -6.056 1.00 0.00 N ATOM 807 CA GLY A 55 1.089 -5.949 -6.582 1.00 0.00 C ATOM 808 C GLY A 55 0.669 -4.530 -6.252 1.00 0.00 C ATOM 809 O GLY A 55 1.433 -3.772 -5.653 1.00 0.00 O ATOM 0 H GLY A 55 2.488 -6.197 -5.043 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.091 -6.082 -7.664 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.355 -6.645 -6.177 1.00 0.00 H new ATOM 813 N LEU A 56 -0.548 -4.169 -6.643 1.00 0.00 N ATOM 814 CA LEU A 56 -1.069 -2.830 -6.386 1.00 0.00 C ATOM 815 C LEU A 56 -1.856 -2.793 -5.080 1.00 0.00 C ATOM 816 O LEU A 56 -2.240 -3.833 -4.546 1.00 0.00 O ATOM 817 CB LEU A 56 -1.959 -2.377 -7.545 1.00 0.00 C ATOM 818 CG LEU A 56 -1.252 -2.136 -8.879 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.267 -2.008 -10.005 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.377 -0.894 -8.803 1.00 0.00 C ATOM 0 H LEU A 56 -1.193 -4.784 -7.139 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.223 -2.148 -6.298 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.733 -3.129 -7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.462 -1.456 -7.252 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.612 -2.993 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.746 -1.837 -10.947 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.851 -2.926 -10.075 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.933 -1.169 -9.801 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.118 -0.739 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.995 -0.027 -8.569 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.374 -1.025 -8.024 1.00 0.00 H new ATOM 832 N ALA A 57 -2.095 -1.588 -4.573 1.00 0.00 N ATOM 833 CA ALA A 57 -2.841 -1.416 -3.333 1.00 0.00 C ATOM 834 C ALA A 57 -3.677 -0.141 -3.368 1.00 0.00 C ATOM 835 O ALA A 57 -3.265 0.886 -3.908 1.00 0.00 O ATOM 836 CB ALA A 57 -1.890 -1.393 -2.145 1.00 0.00 C ATOM 0 H ALA A 57 -1.783 -0.717 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.520 -2.262 -3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.460 -1.264 -1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.339 -2.333 -2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.189 -0.566 -2.256 1.00 0.00 H new ATOM 842 N PRO A 58 -4.880 -0.206 -2.778 1.00 0.00 N ATOM 843 CA PRO A 58 -5.800 0.935 -2.729 1.00 0.00 C ATOM 844 C PRO A 58 -5.300 2.043 -1.809 1.00 0.00 C ATOM 845 O PRO A 58 -5.275 1.886 -0.589 1.00 0.00 O ATOM 846 CB PRO A 58 -7.092 0.326 -2.179 1.00 0.00 C ATOM 847 CG PRO A 58 -6.648 -0.865 -1.402 1.00 0.00 C ATOM 848 CD PRO A 58 -5.436 -1.397 -2.114 1.00 0.00 C ATOM 0 HA PRO A 58 -5.917 1.407 -3.705 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.626 1.035 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.770 0.043 -2.984 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.408 -0.593 -0.374 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.436 -1.617 -1.357 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.723 -1.839 -1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.701 -2.172 -2.834 1.00 0.00 H new ATOM 856 N ALA A 59 -4.903 3.165 -2.402 1.00 0.00 N ATOM 857 CA ALA A 59 -4.406 4.300 -1.635 1.00 0.00 C ATOM 858 C ALA A 59 -5.425 4.746 -0.592 1.00 0.00 C ATOM 859 O ALA A 59 -5.073 5.378 0.403 1.00 0.00 O ATOM 860 CB ALA A 59 -4.060 5.454 -2.565 1.00 0.00 C ATOM 0 H ALA A 59 -4.916 3.311 -3.411 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.503 3.986 -1.111 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.690 6.295 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.291 5.136 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.951 5.758 -3.114 1.00 0.00 H new ATOM 866 N ASN A 60 -6.690 4.413 -0.827 1.00 0.00 N ATOM 867 CA ASN A 60 -7.761 4.780 0.093 1.00 0.00 C ATOM 868 C ASN A 60 -7.641 4.008 1.403 1.00 0.00 C ATOM 869 O ASN A 60 -8.326 4.313 2.380 1.00 0.00 O ATOM 870 CB ASN A 60 -9.125 4.513 -0.547 1.00 0.00 C ATOM 871 CG ASN A 60 -9.458 5.514 -1.636 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.730 5.139 -2.777 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.439 6.796 -1.288 1.00 0.00 N ATOM 0 H ASN A 60 -6.999 3.890 -1.646 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.671 5.844 0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.136 3.507 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.897 4.546 0.222 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.655 7.515 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.208 7.061 -0.331 1.00 0.00 H new ATOM 880 N ARG A 61 -6.766 3.008 1.417 1.00 0.00 N ATOM 881 CA ARG A 61 -6.557 2.191 2.606 1.00 0.00 C ATOM 882 C ARG A 61 -5.119 2.311 3.102 1.00 0.00 C ATOM 883 O ARG A 61 -4.756 1.741 4.132 1.00 0.00 O ATOM 884 CB ARG A 61 -6.886 0.727 2.310 1.00 0.00 C ATOM 885 CG ARG A 61 -8.300 0.512 1.796 1.00 0.00 C ATOM 886 CD ARG A 61 -8.788 -0.899 2.083 1.00 0.00 C ATOM 887 NE ARG A 61 -10.081 -1.168 1.459 1.00 0.00 N ATOM 888 CZ ARG A 61 -10.899 -2.139 1.852 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.560 -2.928 2.862 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.059 -2.321 1.235 1.00 0.00 N ATOM 0 H ARG A 61 -6.190 2.744 0.618 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.224 2.554 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.179 0.346 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.746 0.141 3.218 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.972 1.232 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.330 0.697 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.053 -1.618 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.868 -1.043 3.160 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.372 -0.578 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.669 -2.791 3.340 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.190 -3.672 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.324 -1.715 0.458 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.686 -3.067 1.537 1.00 0.00 H new ATOM 904 N LEU A 62 -4.304 3.054 2.362 1.00 0.00 N ATOM 905 CA LEU A 62 -2.904 3.249 2.725 1.00 0.00 C ATOM 906 C LEU A 62 -2.675 4.651 3.280 1.00 0.00 C ATOM 907 O LEU A 62 -3.074 5.643 2.670 1.00 0.00 O ATOM 908 CB LEU A 62 -2.004 3.016 1.510 1.00 0.00 C ATOM 909 CG LEU A 62 -1.725 1.556 1.152 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.222 0.794 2.368 1.00 0.00 C ATOM 911 CD2 LEU A 62 -2.975 0.897 0.587 1.00 0.00 C ATOM 0 H LEU A 62 -4.588 3.532 1.507 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.652 2.526 3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.460 3.500 0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.051 3.514 1.688 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.948 1.532 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.029 -0.243 2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.301 1.251 2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.975 0.827 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.758 -0.142 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.772 0.933 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.291 1.427 -0.311 1.00 0.00 H new ATOM 923 N GLN A 63 -2.030 4.725 4.439 1.00 0.00 N ATOM 924 CA GLN A 63 -1.747 6.006 5.075 1.00 0.00 C ATOM 925 C GLN A 63 -0.286 6.400 4.880 1.00 0.00 C ATOM 926 O GLN A 63 0.597 5.917 5.590 1.00 0.00 O ATOM 927 CB GLN A 63 -2.075 5.942 6.568 1.00 0.00 C ATOM 928 CG GLN A 63 -1.635 7.174 7.341 1.00 0.00 C ATOM 929 CD GLN A 63 -1.780 7.005 8.841 1.00 0.00 C ATOM 930 OE1 GLN A 63 -2.230 5.964 9.319 1.00 0.00 O ATOM 931 NE2 GLN A 63 -1.399 8.032 9.592 1.00 0.00 N ATOM 0 H GLN A 63 -1.693 3.913 4.957 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.375 6.763 4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.150 5.812 6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.596 5.063 6.999 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.594 7.395 7.103 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.225 8.031 7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.031 8.876 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.474 7.977 10.608 1.00 0.00 H new ATOM 940 N ILE A 64 -0.039 7.278 3.915 1.00 0.00 N ATOM 941 CA ILE A 64 1.314 7.737 3.627 1.00 0.00 C ATOM 942 C ILE A 64 1.972 8.323 4.872 1.00 0.00 C ATOM 943 O ILE A 64 1.588 9.395 5.343 1.00 0.00 O ATOM 944 CB ILE A 64 1.324 8.795 2.508 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.643 8.247 1.252 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.750 9.225 2.198 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.472 7.220 0.514 1.00 0.00 C ATOM 0 H ILE A 64 -0.759 7.686 3.319 1.00 0.00 H new ATOM 0 HA ILE A 64 1.879 6.866 3.296 1.00 0.00 H new ATOM 0 HB ILE A 64 0.768 9.668 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.311 7.799 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.421 9.075 0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.740 9.973 1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.204 9.651 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.328 8.360 1.874 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.927 6.876 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.415 7.669 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.672 6.374 1.171 1.00 0.00 H new ATOM 959 N LEU A 65 2.965 7.616 5.399 1.00 0.00 N ATOM 960 CA LEU A 65 3.678 8.067 6.588 1.00 0.00 C ATOM 961 C LEU A 65 4.888 8.915 6.209 1.00 0.00 C ATOM 962 O LEU A 65 5.565 8.641 5.218 1.00 0.00 O ATOM 963 CB LEU A 65 4.125 6.866 7.425 1.00 0.00 C ATOM 964 CG LEU A 65 3.021 5.901 7.857 1.00 0.00 C ATOM 965 CD1 LEU A 65 3.574 4.494 8.018 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.376 6.374 9.152 1.00 0.00 C ATOM 0 H LEU A 65 3.295 6.728 5.021 1.00 0.00 H new ATOM 0 HA LEU A 65 2.998 8.681 7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.866 6.306 6.854 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.625 7.238 8.319 1.00 0.00 H new ATOM 0 HG LEU A 65 2.257 5.882 7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.773 3.821 8.326 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.988 4.155 7.068 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.358 4.496 8.775 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.592 5.675 9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.130 6.423 9.937 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.943 7.363 9.003 1.00 0.00 H new