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= 1.42 K(o=1.4,f=-0.19) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot -140:sc= 1.06 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= -0.052 K(o=-0.052,f=-1.7!) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -130:sc= -0.131 USER MOD Single : A 47 LYS NZ :NH3+ -132:sc= -1.96! (180deg=-2.55!) USER MOD Single : A 48 CYS SG : rot 170:sc= -1.36 USER MOD Single : A 51 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.161 K(o=-0.16,f=-1.9!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.121 5.049 -3.903 1.00 0.00 N ATOM 60 CA GLY A 7 10.577 4.064 -2.988 1.00 0.00 C ATOM 61 C GLY A 7 10.080 4.684 -1.697 1.00 0.00 C ATOM 62 O GLY A 7 10.871 5.165 -0.885 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.756 3.536 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.343 3.322 -2.760 1.00 0.00 H new ATOM 66 N LEU A 8 8.765 4.675 -1.506 1.00 0.00 N ATOM 67 CA LEU A 8 8.162 5.242 -0.305 1.00 0.00 C ATOM 68 C LEU A 8 7.637 4.142 0.612 1.00 0.00 C ATOM 69 O LEU A 8 7.672 2.961 0.266 1.00 0.00 O ATOM 70 CB LEU A 8 7.026 6.194 -0.681 1.00 0.00 C ATOM 71 CG LEU A 8 7.444 7.602 -1.108 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.313 8.248 -0.040 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.176 7.560 -2.441 1.00 0.00 C ATOM 0 H LEU A 8 8.096 4.281 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 8 8.932 5.799 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.455 5.744 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.353 6.279 0.172 1.00 0.00 H new ATOM 0 HG LEU A 8 6.545 8.206 -1.229 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.601 9.249 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.754 8.313 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.208 7.645 0.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.466 8.571 -2.729 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.067 6.940 -2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.520 7.140 -3.203 1.00 0.00 H new ATOM 85 N LEU A 9 7.147 4.538 1.782 1.00 0.00 N ATOM 86 CA LEU A 9 6.611 3.587 2.749 1.00 0.00 C ATOM 87 C LEU A 9 5.223 4.011 3.218 1.00 0.00 C ATOM 88 O LEU A 9 4.962 5.195 3.426 1.00 0.00 O ATOM 89 CB LEU A 9 7.552 3.464 3.948 1.00 0.00 C ATOM 90 CG LEU A 9 8.869 2.730 3.696 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.904 3.116 4.741 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.648 1.224 3.692 1.00 0.00 C ATOM 0 H LEU A 9 7.110 5.512 2.084 1.00 0.00 H new ATOM 0 HA LEU A 9 6.528 2.617 2.260 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.781 4.467 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.021 2.951 4.750 1.00 0.00 H new ATOM 0 HG LEU A 9 9.245 3.025 2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.835 2.584 4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.084 4.190 4.696 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.536 2.851 5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.596 0.718 3.511 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.248 0.912 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.941 0.962 2.905 1.00 0.00 H new ATOM 104 N ALA A 10 4.336 3.034 3.384 1.00 0.00 N ATOM 105 CA ALA A 10 2.976 3.306 3.833 1.00 0.00 C ATOM 106 C ALA A 10 2.504 2.248 4.824 1.00 0.00 C ATOM 107 O ALA A 10 3.156 1.219 5.006 1.00 0.00 O ATOM 108 CB ALA A 10 2.032 3.376 2.643 1.00 0.00 C ATOM 0 H ALA A 10 4.535 2.048 3.214 1.00 0.00 H new ATOM 0 HA ALA A 10 2.973 4.270 4.342 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.020 3.580 2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.351 4.173 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.047 2.425 2.110 1.00 0.00 H new ATOM 114 N ARG A 11 1.368 2.507 5.463 1.00 0.00 N ATOM 115 CA ARG A 11 0.809 1.577 6.437 1.00 0.00 C ATOM 116 C ARG A 11 -0.532 1.030 5.959 1.00 0.00 C ATOM 117 O ARG A 11 -1.147 1.578 5.045 1.00 0.00 O ATOM 118 CB ARG A 11 0.637 2.267 7.792 1.00 0.00 C ATOM 119 CG ARG A 11 0.290 1.312 8.922 1.00 0.00 C ATOM 120 CD ARG A 11 0.239 2.029 10.262 1.00 0.00 C ATOM 121 NE ARG A 11 -1.074 2.614 10.520 1.00 0.00 N ATOM 122 CZ ARG A 11 -1.536 2.874 11.739 1.00 0.00 C ATOM 123 NH1 ARG A 11 -0.795 2.603 12.804 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.742 3.406 11.893 1.00 0.00 N ATOM 0 H ARG A 11 0.816 3.354 5.324 1.00 0.00 H new ATOM 0 HA ARG A 11 1.503 0.744 6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.559 2.793 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.147 3.020 7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.674 0.844 8.721 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.030 0.512 8.964 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.486 1.327 11.058 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.996 2.813 10.283 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.669 2.835 9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.132 2.194 12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -1.152 2.804 13.738 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.315 3.616 11.076 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.096 3.605 12.829 1.00 0.00 H new ATOM 138 N ALA A 12 -0.979 -0.055 6.584 1.00 0.00 N ATOM 139 CA ALA A 12 -2.247 -0.676 6.224 1.00 0.00 C ATOM 140 C ALA A 12 -3.277 -0.508 7.336 1.00 0.00 C ATOM 141 O ALA A 12 -3.262 -1.241 8.326 1.00 0.00 O ATOM 142 CB ALA A 12 -2.043 -2.151 5.910 1.00 0.00 C ATOM 0 H ALA A 12 -0.481 -0.522 7.342 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.627 -0.175 5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.999 -2.602 5.643 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.348 -2.253 5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.636 -2.656 6.786 1.00 0.00 H new ATOM 148 N LEU A 13 -4.168 0.463 7.169 1.00 0.00 N ATOM 149 CA LEU A 13 -5.205 0.728 8.160 1.00 0.00 C ATOM 150 C LEU A 13 -6.205 -0.423 8.224 1.00 0.00 C ATOM 151 O LEU A 13 -6.867 -0.628 9.242 1.00 0.00 O ATOM 152 CB LEU A 13 -5.932 2.033 7.829 1.00 0.00 C ATOM 153 CG LEU A 13 -5.043 3.239 7.527 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.867 4.379 6.949 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.312 3.691 8.784 1.00 0.00 C ATOM 0 H LEU A 13 -4.193 1.080 6.357 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.726 0.823 9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.577 1.858 6.968 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.581 2.286 8.667 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.301 2.942 6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.217 5.229 6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.344 4.051 6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.632 4.675 7.667 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.684 4.551 8.550 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.039 3.969 9.547 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.690 2.877 9.156 1.00 0.00 H new ATOM 167 N TYR A 14 -6.307 -1.171 7.131 1.00 0.00 N ATOM 168 CA TYR A 14 -7.226 -2.301 7.063 1.00 0.00 C ATOM 169 C TYR A 14 -6.730 -3.348 6.070 1.00 0.00 C ATOM 170 O TYR A 14 -6.161 -3.013 5.030 1.00 0.00 O ATOM 171 CB TYR A 14 -8.624 -1.826 6.664 1.00 0.00 C ATOM 172 CG TYR A 14 -8.983 -0.467 7.221 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.589 0.698 6.574 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.718 -0.348 8.394 1.00 0.00 C ATOM 175 CE1 TYR A 14 -8.915 1.941 7.080 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.050 0.891 8.907 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.645 2.033 8.247 1.00 0.00 C ATOM 178 OH TYR A 14 -9.973 3.269 8.753 1.00 0.00 O ATOM 0 H TYR A 14 -5.765 -1.016 6.281 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.273 -2.757 8.052 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.691 -1.793 5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.358 -2.555 7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -8.018 0.630 5.660 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.035 -1.240 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.600 2.836 6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.623 0.965 9.819 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.489 3.158 9.579 1.00 0.00 H new ATOM 188 N ASP A 15 -6.949 -4.616 6.398 1.00 0.00 N ATOM 189 CA ASP A 15 -6.526 -5.713 5.535 1.00 0.00 C ATOM 190 C ASP A 15 -7.148 -5.584 4.148 1.00 0.00 C ATOM 191 O ASP A 15 -8.103 -4.834 3.952 1.00 0.00 O ATOM 192 CB ASP A 15 -6.911 -7.057 6.156 1.00 0.00 C ATOM 193 CG ASP A 15 -8.387 -7.138 6.491 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.196 -7.340 5.561 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.734 -7.001 7.683 1.00 0.00 O ATOM 0 H ASP A 15 -7.417 -4.910 7.255 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.442 -5.665 5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.654 -7.860 5.465 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.326 -7.216 7.062 1.00 0.00 H new ATOM 200 N ASN A 16 -6.598 -6.320 3.187 1.00 0.00 N ATOM 201 CA ASN A 16 -7.098 -6.287 1.818 1.00 0.00 C ATOM 202 C ASN A 16 -7.132 -7.688 1.217 1.00 0.00 C ATOM 203 O ASN A 16 -6.157 -8.436 1.302 1.00 0.00 O ATOM 204 CB ASN A 16 -6.224 -5.372 0.956 1.00 0.00 C ATOM 205 CG ASN A 16 -6.834 -5.105 -0.406 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.942 -4.577 -0.510 1.00 0.00 O ATOM 207 ND2 ASN A 16 -6.112 -5.470 -1.459 1.00 0.00 N ATOM 0 H ASN A 16 -5.806 -6.946 3.332 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.115 -5.895 1.839 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.072 -4.425 1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.242 -5.827 0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.471 -5.316 -2.401 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -5.199 -5.904 -1.325 1.00 0.00 H new ATOM 214 N CYS A 17 -8.261 -8.038 0.610 1.00 0.00 N ATOM 215 CA CYS A 17 -8.423 -9.351 -0.006 1.00 0.00 C ATOM 216 C CYS A 17 -8.508 -9.232 -1.524 1.00 0.00 C ATOM 217 O CYS A 17 -9.588 -9.118 -2.103 1.00 0.00 O ATOM 218 CB CYS A 17 -9.678 -10.038 0.535 1.00 0.00 C ATOM 219 SG CYS A 17 -9.663 -11.839 0.367 1.00 0.00 S ATOM 0 H CYS A 17 -9.077 -7.432 0.531 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.550 -9.954 0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.794 -9.783 1.588 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.550 -9.642 0.014 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.764 -12.329 0.854 1.00 0.00 H new ATOM 225 N PRO A 18 -7.341 -9.259 -2.185 1.00 0.00 N ATOM 226 CA PRO A 18 -7.256 -9.155 -3.645 1.00 0.00 C ATOM 227 C PRO A 18 -7.795 -10.397 -4.347 1.00 0.00 C ATOM 228 O PRO A 18 -7.666 -11.512 -3.841 1.00 0.00 O ATOM 229 CB PRO A 18 -5.755 -9.004 -3.903 1.00 0.00 C ATOM 230 CG PRO A 18 -5.102 -9.644 -2.727 1.00 0.00 C ATOM 231 CD PRO A 18 -6.015 -9.394 -1.559 1.00 0.00 C ATOM 0 HA PRO A 18 -7.854 -8.329 -4.030 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.462 -9.492 -4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.472 -7.955 -3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.963 -10.712 -2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.115 -9.218 -2.549 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.989 -10.218 -0.846 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.734 -8.492 -1.015 1.00 0.00 H new ATOM 239 N ASP A 19 -8.397 -10.197 -5.514 1.00 0.00 N ATOM 240 CA ASP A 19 -8.954 -11.302 -6.286 1.00 0.00 C ATOM 241 C ASP A 19 -8.048 -11.654 -7.462 1.00 0.00 C ATOM 242 O ASP A 19 -8.032 -12.795 -7.925 1.00 0.00 O ATOM 243 CB ASP A 19 -10.352 -10.944 -6.793 1.00 0.00 C ATOM 244 CG ASP A 19 -10.705 -11.667 -8.078 1.00 0.00 C ATOM 245 OD1 ASP A 19 -10.281 -11.202 -9.157 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.404 -12.699 -8.005 1.00 0.00 O ATOM 0 H ASP A 19 -8.512 -9.280 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.025 -12.171 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.087 -11.191 -6.027 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.411 -9.868 -6.957 1.00 0.00 H new ATOM 251 N CYS A 20 -7.297 -10.668 -7.939 1.00 0.00 N ATOM 252 CA CYS A 20 -6.389 -10.874 -9.062 1.00 0.00 C ATOM 253 C CYS A 20 -4.935 -10.809 -8.605 1.00 0.00 C ATOM 254 O CYS A 20 -4.642 -10.368 -7.494 1.00 0.00 O ATOM 255 CB CYS A 20 -6.642 -9.827 -10.148 1.00 0.00 C ATOM 256 SG CYS A 20 -5.947 -10.253 -11.761 1.00 0.00 S ATOM 0 H CYS A 20 -7.299 -9.719 -7.566 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.578 -11.866 -9.473 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.717 -9.682 -10.254 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.223 -8.875 -9.824 1.00 0.00 H new ATOM 0 HG CYS A 20 -5.448 -9.187 -12.314 1.00 0.00 H new ATOM 262 N SER A 21 -4.028 -11.253 -9.469 1.00 0.00 N ATOM 263 CA SER A 21 -2.605 -11.251 -9.153 1.00 0.00 C ATOM 264 C SER A 21 -2.069 -9.825 -9.071 1.00 0.00 C ATOM 265 O SER A 21 -1.360 -9.469 -8.129 1.00 0.00 O ATOM 266 CB SER A 21 -1.825 -12.041 -10.205 1.00 0.00 C ATOM 267 OG SER A 21 -0.430 -11.836 -10.067 1.00 0.00 O ATOM 0 H SER A 21 -4.254 -11.619 -10.394 1.00 0.00 H new ATOM 0 HA SER A 21 -2.474 -11.727 -8.181 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.051 -13.103 -10.108 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.143 -11.737 -11.202 1.00 0.00 H new ATOM 0 HG SER A 21 0.046 -12.353 -10.750 1.00 0.00 H new ATOM 273 N ASP A 22 -2.413 -9.013 -10.064 1.00 0.00 N ATOM 274 CA ASP A 22 -1.968 -7.625 -10.106 1.00 0.00 C ATOM 275 C ASP A 22 -2.157 -6.952 -8.750 1.00 0.00 C ATOM 276 O ASP A 22 -1.303 -6.187 -8.302 1.00 0.00 O ATOM 277 CB ASP A 22 -2.733 -6.853 -11.182 1.00 0.00 C ATOM 278 CG ASP A 22 -4.223 -7.135 -11.147 1.00 0.00 C ATOM 279 OD1 ASP A 22 -4.862 -6.817 -10.123 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.749 -7.674 -12.144 1.00 0.00 O ATOM 0 H ASP A 22 -2.999 -9.292 -10.851 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.906 -7.618 -10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.565 -5.784 -11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.339 -7.116 -12.164 1.00 0.00 H new ATOM 285 N GLU A 23 -3.281 -7.243 -8.102 1.00 0.00 N ATOM 286 CA GLU A 23 -3.581 -6.665 -6.798 1.00 0.00 C ATOM 287 C GLU A 23 -2.658 -7.233 -5.724 1.00 0.00 C ATOM 288 O GLU A 23 -2.051 -8.290 -5.907 1.00 0.00 O ATOM 289 CB GLU A 23 -5.041 -6.929 -6.422 1.00 0.00 C ATOM 290 CG GLU A 23 -5.631 -5.879 -5.496 1.00 0.00 C ATOM 291 CD GLU A 23 -7.010 -6.255 -4.991 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.850 -6.671 -5.817 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.250 -6.134 -3.772 1.00 0.00 O ATOM 0 H GLU A 23 -3.998 -7.875 -8.459 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.417 -5.589 -6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.639 -6.976 -7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.113 -7.905 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.964 -5.734 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.688 -4.926 -6.023 1.00 0.00 H new ATOM 300 N LEU A 24 -2.555 -6.525 -4.605 1.00 0.00 N ATOM 301 CA LEU A 24 -1.705 -6.958 -3.501 1.00 0.00 C ATOM 302 C LEU A 24 -2.545 -7.483 -2.341 1.00 0.00 C ATOM 303 O LEU A 24 -3.691 -7.075 -2.157 1.00 0.00 O ATOM 304 CB LEU A 24 -0.824 -5.801 -3.026 1.00 0.00 C ATOM 305 CG LEU A 24 0.533 -6.189 -2.438 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.517 -5.035 -2.560 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.382 -6.612 -0.984 1.00 0.00 C ATOM 0 H LEU A 24 -3.049 -5.649 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.069 -7.767 -3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.654 -5.130 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.375 -5.236 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 24 0.925 -7.035 -3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.477 -5.329 -2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.648 -4.778 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.132 -4.170 -2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.357 -6.885 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.031 -5.786 -0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.289 -7.469 -0.922 1.00 0.00 H new ATOM 319 N ALA A 25 -1.965 -8.388 -1.559 1.00 0.00 N ATOM 320 CA ALA A 25 -2.658 -8.965 -0.414 1.00 0.00 C ATOM 321 C ALA A 25 -1.925 -8.651 0.886 1.00 0.00 C ATOM 322 O ALA A 25 -0.887 -9.241 1.184 1.00 0.00 O ATOM 323 CB ALA A 25 -2.804 -10.469 -0.589 1.00 0.00 C ATOM 0 H ALA A 25 -1.017 -8.737 -1.698 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.651 -8.518 -0.358 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.323 -10.887 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.377 -10.676 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.817 -10.923 -0.673 1.00 0.00 H new ATOM 329 N PHE A 26 -2.473 -7.717 1.657 1.00 0.00 N ATOM 330 CA PHE A 26 -1.870 -7.323 2.926 1.00 0.00 C ATOM 331 C PHE A 26 -2.910 -7.312 4.042 1.00 0.00 C ATOM 332 O PHE A 26 -4.111 -7.217 3.786 1.00 0.00 O ATOM 333 CB PHE A 26 -1.225 -5.941 2.801 1.00 0.00 C ATOM 334 CG PHE A 26 -2.185 -4.869 2.370 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.963 -4.201 3.302 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.309 -4.529 1.033 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.846 -3.214 2.909 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.191 -3.542 0.634 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.961 -2.884 1.573 1.00 0.00 C ATOM 0 H PHE A 26 -3.333 -7.219 1.426 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.101 -8.054 3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.790 -5.664 3.761 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.406 -5.994 2.084 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.878 -4.455 4.348 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.710 -5.041 0.294 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.446 -2.701 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.278 -3.286 -0.412 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.651 -2.113 1.263 1.00 0.00 H new ATOM 349 N SER A 27 -2.441 -7.411 5.281 1.00 0.00 N ATOM 350 CA SER A 27 -3.329 -7.418 6.437 1.00 0.00 C ATOM 351 C SER A 27 -3.004 -6.262 7.379 1.00 0.00 C ATOM 352 O SER A 27 -1.868 -5.792 7.434 1.00 0.00 O ATOM 353 CB SER A 27 -3.217 -8.747 7.186 1.00 0.00 C ATOM 354 OG SER A 27 -3.958 -9.764 6.534 1.00 0.00 O ATOM 0 H SER A 27 -1.450 -7.488 5.510 1.00 0.00 H new ATOM 0 HA SER A 27 -4.351 -7.296 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.170 -9.042 7.254 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.581 -8.625 8.206 1.00 0.00 H new ATOM 0 HG SER A 27 -3.869 -10.604 7.031 1.00 0.00 H new ATOM 360 N ARG A 28 -4.011 -5.808 8.117 1.00 0.00 N ATOM 361 CA ARG A 28 -3.834 -4.706 9.056 1.00 0.00 C ATOM 362 C ARG A 28 -2.493 -4.814 9.774 1.00 0.00 C ATOM 363 O ARG A 28 -2.031 -5.910 10.087 1.00 0.00 O ATOM 364 CB ARG A 28 -4.972 -4.691 10.078 1.00 0.00 C ATOM 365 CG ARG A 28 -4.710 -3.783 11.269 1.00 0.00 C ATOM 366 CD ARG A 28 -4.853 -2.317 10.894 1.00 0.00 C ATOM 367 NE ARG A 28 -4.878 -1.451 12.070 1.00 0.00 N ATOM 368 CZ ARG A 28 -3.791 -1.105 12.751 1.00 0.00 C ATOM 369 NH1 ARG A 28 -2.600 -1.549 12.374 1.00 0.00 N ATOM 370 NH2 ARG A 28 -3.895 -0.313 13.810 1.00 0.00 N ATOM 0 H ARG A 28 -4.958 -6.186 8.083 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.850 -3.774 8.491 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.889 -4.371 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.140 -5.707 10.436 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.407 -4.024 12.072 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.706 -3.965 11.653 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.025 -2.026 10.247 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.770 -2.177 10.321 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.779 -1.092 12.386 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.517 -2.157 11.560 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.767 -1.282 12.898 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.810 0.031 14.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.060 -0.048 14.332 1.00 0.00 H new ATOM 384 N GLY A 29 -1.871 -3.667 10.032 1.00 0.00 N ATOM 385 CA GLY A 29 -0.588 -3.655 10.710 1.00 0.00 C ATOM 386 C GLY A 29 0.530 -4.201 9.846 1.00 0.00 C ATOM 387 O GLY A 29 1.358 -4.985 10.311 1.00 0.00 O ATOM 0 H GLY A 29 -2.233 -2.746 9.783 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.347 -2.634 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.658 -4.245 11.624 1.00 0.00 H new ATOM 391 N ASP A 30 0.555 -3.789 8.583 1.00 0.00 N ATOM 392 CA ASP A 30 1.580 -4.243 7.651 1.00 0.00 C ATOM 393 C ASP A 30 2.168 -3.068 6.875 1.00 0.00 C ATOM 394 O ASP A 30 1.458 -2.379 6.142 1.00 0.00 O ATOM 395 CB ASP A 30 0.998 -5.271 6.680 1.00 0.00 C ATOM 396 CG ASP A 30 0.796 -6.628 7.325 1.00 0.00 C ATOM 397 OD1 ASP A 30 1.420 -6.883 8.377 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.015 -7.434 6.779 1.00 0.00 O ATOM 0 H ASP A 30 -0.123 -3.141 8.181 1.00 0.00 H new ATOM 0 HA ASP A 30 2.378 -4.711 8.227 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.044 -4.907 6.300 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.664 -5.375 5.823 1.00 0.00 H new ATOM 403 N ILE A 31 3.467 -2.846 7.042 1.00 0.00 N ATOM 404 CA ILE A 31 4.149 -1.755 6.358 1.00 0.00 C ATOM 405 C ILE A 31 4.420 -2.105 4.898 1.00 0.00 C ATOM 406 O ILE A 31 5.209 -3.003 4.599 1.00 0.00 O ATOM 407 CB ILE A 31 5.482 -1.405 7.045 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.238 -0.991 8.498 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.195 -0.295 6.286 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.294 0.181 8.642 1.00 0.00 C ATOM 0 H ILE A 31 4.068 -3.407 7.645 1.00 0.00 H new ATOM 0 HA ILE A 31 3.487 -0.891 6.406 1.00 0.00 H new ATOM 0 HB ILE A 31 6.119 -2.289 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.834 -1.842 9.047 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.192 -0.737 8.960 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.135 -0.059 6.784 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.397 -0.623 5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.564 0.593 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.168 0.419 9.698 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.706 1.046 8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.327 -0.076 8.210 1.00 0.00 H new ATOM 422 N LEU A 32 3.762 -1.390 3.992 1.00 0.00 N ATOM 423 CA LEU A 32 3.932 -1.623 2.562 1.00 0.00 C ATOM 424 C LEU A 32 4.936 -0.642 1.966 1.00 0.00 C ATOM 425 O LEU A 32 4.980 0.528 2.349 1.00 0.00 O ATOM 426 CB LEU A 32 2.589 -1.498 1.842 1.00 0.00 C ATOM 427 CG LEU A 32 1.669 -2.717 1.919 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.387 -3.961 1.419 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.174 -2.921 3.344 1.00 0.00 C ATOM 0 H LEU A 32 3.106 -0.644 4.222 1.00 0.00 H new ATOM 0 HA LEU A 32 4.317 -2.634 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.057 -0.640 2.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.782 -1.279 0.792 1.00 0.00 H new ATOM 0 HG LEU A 32 0.806 -2.539 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.716 -4.818 1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.692 -3.813 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.268 -4.144 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.521 -3.793 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.026 -3.078 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.621 -2.039 3.667 1.00 0.00 H new ATOM 441 N THR A 33 5.740 -1.125 1.025 1.00 0.00 N ATOM 442 CA THR A 33 6.743 -0.290 0.374 1.00 0.00 C ATOM 443 C THR A 33 6.244 0.218 -0.974 1.00 0.00 C ATOM 444 O THR A 33 6.302 -0.494 -1.976 1.00 0.00 O ATOM 445 CB THR A 33 8.062 -1.057 0.165 1.00 0.00 C ATOM 446 OG1 THR A 33 8.614 -1.438 1.430 1.00 0.00 O ATOM 447 CG2 THR A 33 9.067 -0.206 -0.597 1.00 0.00 C ATOM 0 H THR A 33 5.717 -2.090 0.696 1.00 0.00 H new ATOM 0 HA THR A 33 6.925 0.558 1.034 1.00 0.00 H new ATOM 0 HB THR A 33 7.848 -1.951 -0.421 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.451 -1.927 1.288 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.991 -0.768 -0.733 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.656 0.057 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.275 0.703 -0.033 1.00 0.00 H new ATOM 455 N ILE A 34 5.757 1.454 -0.991 1.00 0.00 N ATOM 456 CA ILE A 34 5.250 2.058 -2.217 1.00 0.00 C ATOM 457 C ILE A 34 6.360 2.219 -3.250 1.00 0.00 C ATOM 458 O ILE A 34 7.132 3.178 -3.203 1.00 0.00 O ATOM 459 CB ILE A 34 4.613 3.434 -1.946 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.470 3.301 -0.937 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.112 4.051 -3.243 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.973 4.628 -0.408 1.00 0.00 C ATOM 0 H ILE A 34 5.703 2.057 -0.170 1.00 0.00 H new ATOM 0 HA ILE A 34 4.487 1.385 -2.608 1.00 0.00 H new ATOM 0 HB ILE A 34 5.372 4.092 -1.523 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.641 2.773 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.804 2.688 -0.100 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.665 5.023 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.947 4.176 -3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.365 3.397 -3.692 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.163 4.457 0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.789 5.149 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.607 5.236 -1.236 1.00 0.00 H new ATOM 474 N LEU A 35 6.434 1.277 -4.183 1.00 0.00 N ATOM 475 CA LEU A 35 7.449 1.315 -5.230 1.00 0.00 C ATOM 476 C LEU A 35 7.228 2.503 -6.160 1.00 0.00 C ATOM 477 O LEU A 35 8.134 3.305 -6.384 1.00 0.00 O ATOM 478 CB LEU A 35 7.430 0.013 -6.034 1.00 0.00 C ATOM 479 CG LEU A 35 7.632 -1.273 -5.232 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.069 -2.467 -5.988 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.107 -1.483 -4.923 1.00 0.00 C ATOM 0 H LEU A 35 5.803 0.477 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 35 8.423 1.427 -4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.476 -0.054 -6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.207 0.068 -6.796 1.00 0.00 H new ATOM 0 HG LEU A 35 7.094 -1.179 -4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.222 -3.373 -5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.002 -2.320 -6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.579 -2.564 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.232 -2.403 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.667 -1.556 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.480 -0.641 -4.340 1.00 0.00 H new ATOM 493 N GLU A 36 6.016 2.610 -6.697 1.00 0.00 N ATOM 494 CA GLU A 36 5.676 3.702 -7.602 1.00 0.00 C ATOM 495 C GLU A 36 4.304 4.279 -7.267 1.00 0.00 C ATOM 496 O GLU A 36 3.365 3.541 -6.971 1.00 0.00 O ATOM 497 CB GLU A 36 5.697 3.217 -9.053 1.00 0.00 C ATOM 498 CG GLU A 36 4.542 2.295 -9.403 1.00 0.00 C ATOM 499 CD GLU A 36 4.897 1.303 -10.494 1.00 0.00 C ATOM 500 OE1 GLU A 36 5.842 0.512 -10.291 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.230 1.318 -11.550 1.00 0.00 O ATOM 0 H GLU A 36 5.254 1.955 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 36 6.421 4.488 -7.478 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.675 4.081 -9.717 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.636 2.696 -9.240 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.232 1.752 -8.510 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.689 2.893 -9.724 1.00 0.00 H new ATOM 508 N GLN A 37 4.197 5.603 -7.316 1.00 0.00 N ATOM 509 CA GLN A 37 2.940 6.279 -7.017 1.00 0.00 C ATOM 510 C GLN A 37 2.103 6.455 -8.279 1.00 0.00 C ATOM 511 O GLN A 37 0.884 6.282 -8.257 1.00 0.00 O ATOM 512 CB GLN A 37 3.210 7.641 -6.375 1.00 0.00 C ATOM 513 CG GLN A 37 3.536 7.561 -4.893 1.00 0.00 C ATOM 514 CD GLN A 37 4.247 8.800 -4.384 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.541 9.719 -5.149 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.526 8.832 -3.086 1.00 0.00 N ATOM 0 H GLN A 37 4.965 6.228 -7.560 1.00 0.00 H new ATOM 0 HA GLN A 37 2.381 5.659 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.039 8.121 -6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.336 8.278 -6.512 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.614 7.418 -4.329 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.161 6.687 -4.709 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.264 8.048 -2.489 1.00 0.00 H new ATOM 0 HE22 GLN A 37 5.002 9.641 -2.687 1.00 0.00 H new ATOM 525 N HIS A 38 2.764 6.801 -9.379 1.00 0.00 N ATOM 526 CA HIS A 38 2.080 7.000 -10.652 1.00 0.00 C ATOM 527 C HIS A 38 1.660 5.665 -11.258 1.00 0.00 C ATOM 528 O HIS A 38 2.487 4.926 -11.793 1.00 0.00 O ATOM 529 CB HIS A 38 2.984 7.754 -11.628 1.00 0.00 C ATOM 530 CG HIS A 38 2.912 9.243 -11.482 1.00 0.00 C ATOM 531 ND1 HIS A 38 3.771 9.964 -10.680 1.00 0.00 N ATOM 532 CD2 HIS A 38 2.076 10.148 -12.044 1.00 0.00 C ATOM 533 CE1 HIS A 38 3.467 11.247 -10.753 1.00 0.00 C ATOM 534 NE2 HIS A 38 2.442 11.386 -11.574 1.00 0.00 N ATOM 0 H HIS A 38 3.773 6.949 -9.415 1.00 0.00 H new ATOM 0 HA HIS A 38 1.184 7.592 -10.466 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.015 7.432 -11.479 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.710 7.483 -12.648 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.272 9.936 -12.733 1.00 0.00 H new ATOM 0 HE1 HIS A 38 3.971 12.047 -10.230 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.995 12.269 -11.819 1.00 0.00 H new ATOM 543 N VAL A 39 0.369 5.360 -11.168 1.00 0.00 N ATOM 544 CA VAL A 39 -0.161 4.114 -11.708 1.00 0.00 C ATOM 545 C VAL A 39 -1.357 4.373 -12.618 1.00 0.00 C ATOM 546 O VAL A 39 -2.500 4.466 -12.170 1.00 0.00 O ATOM 547 CB VAL A 39 -0.586 3.151 -10.583 1.00 0.00 C ATOM 548 CG1 VAL A 39 -1.013 1.810 -11.161 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.544 2.973 -9.580 1.00 0.00 C ATOM 0 H VAL A 39 -0.329 5.959 -10.726 1.00 0.00 H new ATOM 0 HA VAL A 39 0.640 3.655 -12.287 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.440 3.583 -10.061 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.310 1.143 -10.352 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.855 1.957 -11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.181 1.368 -11.709 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.227 2.290 -8.792 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.418 2.563 -10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.798 3.939 -9.143 1.00 0.00 H new ATOM 559 N PRO A 40 -1.090 4.493 -13.926 1.00 0.00 N ATOM 560 CA PRO A 40 -2.131 4.743 -14.927 1.00 0.00 C ATOM 561 C PRO A 40 -3.046 3.539 -15.125 1.00 0.00 C ATOM 562 O PRO A 40 -4.269 3.672 -15.125 1.00 0.00 O ATOM 563 CB PRO A 40 -1.335 5.025 -16.204 1.00 0.00 C ATOM 564 CG PRO A 40 -0.037 4.322 -16.004 1.00 0.00 C ATOM 565 CD PRO A 40 0.250 4.394 -14.530 1.00 0.00 C ATOM 0 HA PRO A 40 -2.793 5.557 -14.632 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.856 4.652 -17.086 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.187 6.095 -16.350 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.098 3.287 -16.340 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.757 4.797 -16.580 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.784 3.510 -14.181 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.867 5.258 -14.282 1.00 0.00 H new ATOM 573 N GLU A 41 -2.445 2.365 -15.292 1.00 0.00 N ATOM 574 CA GLU A 41 -3.207 1.139 -15.490 1.00 0.00 C ATOM 575 C GLU A 41 -4.293 0.995 -14.427 1.00 0.00 C ATOM 576 O GLU A 41 -5.359 0.437 -14.686 1.00 0.00 O ATOM 577 CB GLU A 41 -2.279 -0.077 -15.454 1.00 0.00 C ATOM 578 CG GLU A 41 -1.829 -0.458 -14.054 1.00 0.00 C ATOM 579 CD GLU A 41 -0.721 -1.493 -14.058 1.00 0.00 C ATOM 580 OE1 GLU A 41 0.048 -1.535 -15.042 1.00 0.00 O ATOM 581 OE2 GLU A 41 -0.622 -2.262 -13.079 1.00 0.00 O ATOM 0 H GLU A 41 -1.433 2.238 -15.294 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.685 1.193 -16.468 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.790 -0.927 -15.906 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.400 0.129 -16.065 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.485 0.435 -13.532 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.681 -0.846 -13.496 1.00 0.00 H new ATOM 588 N SER A 42 -4.012 1.501 -13.231 1.00 0.00 N ATOM 589 CA SER A 42 -4.962 1.426 -12.127 1.00 0.00 C ATOM 590 C SER A 42 -5.078 2.771 -11.417 1.00 0.00 C ATOM 591 O SER A 42 -4.200 3.155 -10.645 1.00 0.00 O ATOM 592 CB SER A 42 -4.534 0.346 -11.131 1.00 0.00 C ATOM 593 OG SER A 42 -5.097 -0.910 -11.468 1.00 0.00 O ATOM 0 H SER A 42 -3.134 1.967 -13.001 1.00 0.00 H new ATOM 0 HA SER A 42 -5.938 1.166 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.447 0.269 -11.118 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.845 0.630 -10.126 1.00 0.00 H new ATOM 0 HG SER A 42 -5.521 -1.301 -10.676 1.00 0.00 H new ATOM 599 N GLU A 43 -6.168 3.483 -11.685 1.00 0.00 N ATOM 600 CA GLU A 43 -6.399 4.786 -11.073 1.00 0.00 C ATOM 601 C GLU A 43 -6.833 4.634 -9.618 1.00 0.00 C ATOM 602 O GLU A 43 -7.886 4.066 -9.329 1.00 0.00 O ATOM 603 CB GLU A 43 -7.461 5.561 -11.855 1.00 0.00 C ATOM 604 CG GLU A 43 -8.847 4.944 -11.775 1.00 0.00 C ATOM 605 CD GLU A 43 -9.642 5.447 -10.586 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.608 6.668 -10.324 1.00 0.00 O ATOM 607 OE2 GLU A 43 -10.297 4.621 -9.917 1.00 0.00 O ATOM 0 H GLU A 43 -6.905 3.179 -12.322 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.462 5.342 -11.099 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.505 6.582 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.159 5.621 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.393 5.166 -12.692 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.755 3.860 -11.713 1.00 0.00 H new ATOM 614 N GLY A 44 -6.013 5.146 -8.705 1.00 0.00 N ATOM 615 CA GLY A 44 -6.329 5.057 -7.291 1.00 0.00 C ATOM 616 C GLY A 44 -5.704 3.843 -6.633 1.00 0.00 C ATOM 617 O GLY A 44 -6.258 3.290 -5.683 1.00 0.00 O ATOM 0 H GLY A 44 -5.136 5.621 -8.919 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.982 5.959 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.411 5.018 -7.165 1.00 0.00 H new ATOM 621 N TRP A 45 -4.549 3.427 -7.139 1.00 0.00 N ATOM 622 CA TRP A 45 -3.849 2.269 -6.595 1.00 0.00 C ATOM 623 C TRP A 45 -2.352 2.537 -6.491 1.00 0.00 C ATOM 624 O TRP A 45 -1.824 3.428 -7.157 1.00 0.00 O ATOM 625 CB TRP A 45 -4.100 1.039 -7.469 1.00 0.00 C ATOM 626 CG TRP A 45 -5.521 0.563 -7.430 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.588 1.116 -8.077 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.028 -0.563 -6.705 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.729 0.403 -7.798 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.412 -0.633 -6.959 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.448 -1.520 -5.868 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.221 -1.621 -6.405 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.252 -2.499 -5.318 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.626 -2.545 -5.589 1.00 0.00 C ATOM 0 H TRP A 45 -4.077 3.874 -7.925 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.235 2.080 -5.594 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.831 1.273 -8.499 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.445 0.231 -7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.542 1.986 -8.715 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.661 0.611 -8.157 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.390 -1.494 -5.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.280 -1.657 -6.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.814 -3.242 -4.668 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.227 -3.325 -5.145 1.00 0.00 H new ATOM 645 N TRP A 46 -1.673 1.762 -5.653 1.00 0.00 N ATOM 646 CA TRP A 46 -0.235 1.917 -5.463 1.00 0.00 C ATOM 647 C TRP A 46 0.476 0.573 -5.576 1.00 0.00 C ATOM 648 O TRP A 46 0.003 -0.438 -5.056 1.00 0.00 O ATOM 649 CB TRP A 46 0.055 2.548 -4.100 1.00 0.00 C ATOM 650 CG TRP A 46 -0.144 4.034 -4.080 1.00 0.00 C ATOM 651 CD1 TRP A 46 0.021 4.897 -5.125 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.544 4.829 -2.959 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.251 6.182 -4.721 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.601 6.167 -3.397 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.861 4.542 -1.628 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.961 7.212 -2.550 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.217 5.580 -0.789 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.266 6.902 -1.253 1.00 0.00 C ATOM 0 H TRP A 46 -2.095 1.020 -5.094 1.00 0.00 H new ATOM 0 HA TRP A 46 0.142 2.574 -6.247 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.592 2.092 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.082 2.322 -3.814 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.321 4.612 -6.122 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.200 7.012 -5.311 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.828 3.526 -1.262 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -0.998 8.231 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.462 5.370 0.242 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.550 7.691 -0.573 1.00 0.00 H new ATOM 669 N LYS A 47 1.616 0.568 -6.259 1.00 0.00 N ATOM 670 CA LYS A 47 2.395 -0.652 -6.440 1.00 0.00 C ATOM 671 C LYS A 47 3.356 -0.861 -5.274 1.00 0.00 C ATOM 672 O LYS A 47 4.460 -0.314 -5.261 1.00 0.00 O ATOM 673 CB LYS A 47 3.176 -0.592 -7.754 1.00 0.00 C ATOM 674 CG LYS A 47 3.561 -1.959 -8.295 1.00 0.00 C ATOM 675 CD LYS A 47 2.487 -2.519 -9.212 1.00 0.00 C ATOM 676 CE LYS A 47 2.691 -2.068 -10.650 1.00 0.00 C ATOM 677 NZ LYS A 47 2.309 -0.642 -10.844 1.00 0.00 N ATOM 0 H LYS A 47 2.021 1.395 -6.697 1.00 0.00 H new ATOM 0 HA LYS A 47 1.704 -1.494 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.576 -0.071 -8.500 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.080 -0.002 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.502 -1.884 -8.839 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.727 -2.646 -7.465 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.499 -3.608 -9.166 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.506 -2.196 -8.864 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.736 -2.205 -10.929 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.099 -2.696 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.702 -0.556 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.792 -0.304 -10.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 3.166 -0.068 -10.977 1.00 0.00 H new ATOM 691 N CYS A 48 2.931 -1.656 -4.298 1.00 0.00 N ATOM 692 CA CYS A 48 3.755 -1.938 -3.128 1.00 0.00 C ATOM 693 C CYS A 48 4.334 -3.347 -3.198 1.00 0.00 C ATOM 694 O CYS A 48 3.940 -4.151 -4.044 1.00 0.00 O ATOM 695 CB CYS A 48 2.933 -1.774 -1.849 1.00 0.00 C ATOM 696 SG CYS A 48 2.368 -0.084 -1.545 1.00 0.00 S ATOM 0 H CYS A 48 2.021 -2.117 -4.294 1.00 0.00 H new ATOM 0 HA CYS A 48 4.580 -1.226 -3.115 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.065 -2.432 -1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.532 -2.103 -1.000 1.00 0.00 H new ATOM 0 HG CYS A 48 1.511 -0.082 -0.568 1.00 0.00 H new ATOM 702 N LEU A 49 5.274 -3.639 -2.306 1.00 0.00 N ATOM 703 CA LEU A 49 5.910 -4.951 -2.266 1.00 0.00 C ATOM 704 C LEU A 49 5.826 -5.556 -0.868 1.00 0.00 C ATOM 705 O LEU A 49 6.267 -4.949 0.109 1.00 0.00 O ATOM 706 CB LEU A 49 7.373 -4.844 -2.701 1.00 0.00 C ATOM 707 CG LEU A 49 8.169 -6.149 -2.707 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.356 -6.667 -1.290 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.475 -7.193 -3.571 1.00 0.00 C ATOM 0 H LEU A 49 5.613 -2.985 -1.601 1.00 0.00 H new ATOM 0 HA LEU A 49 5.379 -5.606 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.403 -4.419 -3.704 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.877 -4.138 -2.041 1.00 0.00 H new ATOM 0 HG LEU A 49 9.153 -5.950 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.925 -7.597 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.896 -5.926 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.381 -6.850 -0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.056 -8.116 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.478 -7.388 -3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.394 -6.824 -4.593 1.00 0.00 H new ATOM 721 N LEU A 50 5.260 -6.754 -0.781 1.00 0.00 N ATOM 722 CA LEU A 50 5.121 -7.443 0.498 1.00 0.00 C ATOM 723 C LEU A 50 5.252 -8.952 0.321 1.00 0.00 C ATOM 724 O LEU A 50 4.586 -9.549 -0.526 1.00 0.00 O ATOM 725 CB LEU A 50 3.771 -7.108 1.135 1.00 0.00 C ATOM 726 CG LEU A 50 3.536 -7.664 2.540 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.165 -6.757 3.585 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.047 -7.833 2.804 1.00 0.00 C ATOM 0 H LEU A 50 4.890 -7.269 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 50 5.921 -7.103 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.669 -6.023 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.981 -7.480 0.482 1.00 0.00 H new ATOM 0 HG LEU A 50 4.010 -8.643 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.987 -7.169 4.578 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.238 -6.687 3.408 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.721 -5.764 3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.898 -8.230 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.550 -6.867 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.624 -8.524 2.075 1.00 0.00 H new ATOM 740 N HIS A 51 6.115 -9.564 1.126 1.00 0.00 N ATOM 741 CA HIS A 51 6.331 -11.005 1.060 1.00 0.00 C ATOM 742 C HIS A 51 6.404 -11.478 -0.389 1.00 0.00 C ATOM 743 O HIS A 51 5.813 -12.495 -0.751 1.00 0.00 O ATOM 744 CB HIS A 51 5.213 -11.745 1.794 1.00 0.00 C ATOM 745 CG HIS A 51 5.395 -11.783 3.280 1.00 0.00 C ATOM 746 ND1 HIS A 51 6.156 -12.739 3.921 1.00 0.00 N ATOM 747 CD2 HIS A 51 4.912 -10.976 4.253 1.00 0.00 C ATOM 748 CE1 HIS A 51 6.131 -12.519 5.223 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.384 -11.454 5.451 1.00 0.00 N ATOM 0 H HIS A 51 6.675 -9.085 1.831 1.00 0.00 H new ATOM 0 HA HIS A 51 7.282 -11.227 1.545 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.261 -11.267 1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.156 -12.766 1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.274 -10.116 4.113 1.00 0.00 H new ATOM 0 HE1 HIS A 51 6.636 -13.109 5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.189 -11.052 6.368 1.00 0.00 H new ATOM 758 N GLY A 52 7.132 -10.732 -1.214 1.00 0.00 N ATOM 759 CA GLY A 52 7.268 -11.091 -2.614 1.00 0.00 C ATOM 760 C GLY A 52 5.938 -11.097 -3.342 1.00 0.00 C ATOM 761 O GLY A 52 5.593 -12.072 -4.010 1.00 0.00 O ATOM 0 H GLY A 52 7.630 -9.886 -0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.943 -10.388 -3.102 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.725 -12.078 -2.690 1.00 0.00 H new ATOM 765 N ARG A 53 5.189 -10.007 -3.212 1.00 0.00 N ATOM 766 CA ARG A 53 3.888 -9.892 -3.861 1.00 0.00 C ATOM 767 C ARG A 53 3.982 -9.034 -5.119 1.00 0.00 C ATOM 768 O ARG A 53 3.638 -9.481 -6.213 1.00 0.00 O ATOM 769 CB ARG A 53 2.865 -9.291 -2.896 1.00 0.00 C ATOM 770 CG ARG A 53 2.276 -10.302 -1.925 1.00 0.00 C ATOM 771 CD ARG A 53 1.136 -11.084 -2.558 1.00 0.00 C ATOM 772 NE ARG A 53 1.622 -12.174 -3.400 1.00 0.00 N ATOM 773 CZ ARG A 53 2.058 -13.334 -2.921 1.00 0.00 C ATOM 774 NH1 ARG A 53 2.069 -13.554 -1.614 1.00 0.00 N ATOM 775 NH2 ARG A 53 2.485 -14.278 -3.751 1.00 0.00 N ATOM 0 H ARG A 53 5.460 -9.191 -2.663 1.00 0.00 H new ATOM 0 HA ARG A 53 3.563 -10.892 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.340 -8.490 -2.330 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.057 -8.839 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.055 -10.992 -1.599 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.915 -9.786 -1.035 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.495 -11.489 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.522 -10.410 -3.156 1.00 0.00 H new ATOM 0 HE ARG A 53 1.627 -12.037 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 53 1.742 -12.832 -0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.404 -14.446 -1.250 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.479 -14.113 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.820 -15.168 -3.382 1.00 0.00 H new ATOM 789 N GLN A 54 4.450 -7.801 -4.954 1.00 0.00 N ATOM 790 CA GLN A 54 4.587 -6.881 -6.077 1.00 0.00 C ATOM 791 C GLN A 54 3.239 -6.630 -6.744 1.00 0.00 C ATOM 792 O GLN A 54 3.095 -6.789 -7.956 1.00 0.00 O ATOM 793 CB GLN A 54 5.580 -7.435 -7.100 1.00 0.00 C ATOM 794 CG GLN A 54 7.026 -7.068 -6.805 1.00 0.00 C ATOM 795 CD GLN A 54 7.889 -7.050 -8.051 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.120 -8.086 -8.675 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.372 -5.870 -8.420 1.00 0.00 N ATOM 0 H GLN A 54 4.740 -7.416 -4.055 1.00 0.00 H new ATOM 0 HA GLN A 54 4.963 -5.933 -5.692 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.489 -8.521 -7.132 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.314 -7.064 -8.090 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.058 -6.087 -6.331 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.439 -7.781 -6.091 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.155 -5.037 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.960 -5.797 -9.250 1.00 0.00 H new ATOM 806 N GLY A 55 2.252 -6.238 -5.944 1.00 0.00 N ATOM 807 CA GLY A 55 0.927 -5.973 -6.475 1.00 0.00 C ATOM 808 C GLY A 55 0.461 -4.559 -6.189 1.00 0.00 C ATOM 809 O GLY A 55 1.209 -3.750 -5.639 1.00 0.00 O ATOM 0 H GLY A 55 2.346 -6.099 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.930 -6.141 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.218 -6.680 -6.044 1.00 0.00 H new ATOM 813 N LEU A 56 -0.778 -4.260 -6.565 1.00 0.00 N ATOM 814 CA LEU A 56 -1.343 -2.933 -6.347 1.00 0.00 C ATOM 815 C LEU A 56 -2.051 -2.857 -4.998 1.00 0.00 C ATOM 816 O LEU A 56 -2.363 -3.881 -4.391 1.00 0.00 O ATOM 817 CB LEU A 56 -2.322 -2.583 -7.469 1.00 0.00 C ATOM 818 CG LEU A 56 -1.712 -2.401 -8.859 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.791 -2.467 -9.929 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.957 -1.082 -8.942 1.00 0.00 C ATOM 0 H LEU A 56 -1.410 -4.918 -7.022 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.525 -2.213 -6.349 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.075 -3.369 -7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.840 -1.663 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.006 -3.213 -9.033 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.338 -2.335 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.288 -3.436 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.522 -1.677 -9.758 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.530 -0.969 -9.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.642 -0.257 -8.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.158 -1.073 -8.201 1.00 0.00 H new ATOM 832 N ALA A 57 -2.303 -1.637 -4.535 1.00 0.00 N ATOM 833 CA ALA A 57 -2.978 -1.428 -3.260 1.00 0.00 C ATOM 834 C ALA A 57 -3.793 -0.139 -3.276 1.00 0.00 C ATOM 835 O ALA A 57 -3.396 0.869 -3.860 1.00 0.00 O ATOM 836 CB ALA A 57 -1.965 -1.399 -2.125 1.00 0.00 C ATOM 0 H ALA A 57 -2.050 -0.778 -5.024 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.664 -2.260 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.483 -1.242 -1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.428 -2.347 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.257 -0.587 -2.290 1.00 0.00 H new ATOM 842 N PRO A 58 -4.963 -0.171 -2.619 1.00 0.00 N ATOM 843 CA PRO A 58 -5.859 0.987 -2.544 1.00 0.00 C ATOM 844 C PRO A 58 -5.290 2.105 -1.676 1.00 0.00 C ATOM 845 O PRO A 58 -5.288 2.011 -0.449 1.00 0.00 O ATOM 846 CB PRO A 58 -7.128 0.412 -1.910 1.00 0.00 C ATOM 847 CG PRO A 58 -6.662 -0.770 -1.133 1.00 0.00 C ATOM 848 CD PRO A 58 -5.500 -1.338 -1.900 1.00 0.00 C ATOM 0 HA PRO A 58 -6.022 1.441 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.614 1.143 -1.264 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.855 0.125 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.361 -0.481 -0.126 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.458 -1.507 -1.029 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.756 -1.778 -1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.817 -2.122 -2.587 1.00 0.00 H new ATOM 856 N ALA A 59 -4.810 3.162 -2.322 1.00 0.00 N ATOM 857 CA ALA A 59 -4.241 4.299 -1.609 1.00 0.00 C ATOM 858 C ALA A 59 -5.232 4.866 -0.599 1.00 0.00 C ATOM 859 O ALA A 59 -4.853 5.600 0.312 1.00 0.00 O ATOM 860 CB ALA A 59 -3.812 5.378 -2.593 1.00 0.00 C ATOM 0 H ALA A 59 -4.804 3.255 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.364 3.951 -1.062 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.389 6.221 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.062 4.973 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.677 5.714 -3.165 1.00 0.00 H new ATOM 866 N ASN A 60 -6.505 4.520 -0.768 1.00 0.00 N ATOM 867 CA ASN A 60 -7.551 4.996 0.130 1.00 0.00 C ATOM 868 C ASN A 60 -7.464 4.300 1.485 1.00 0.00 C ATOM 869 O ASN A 60 -7.923 4.830 2.497 1.00 0.00 O ATOM 870 CB ASN A 60 -8.930 4.759 -0.490 1.00 0.00 C ATOM 871 CG ASN A 60 -9.391 5.929 -1.338 1.00 0.00 C ATOM 872 OD1 ASN A 60 -8.662 6.904 -1.519 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.608 5.836 -1.862 1.00 0.00 N ATOM 0 H ASN A 60 -6.836 3.913 -1.518 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.406 6.066 0.282 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.900 3.859 -1.104 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.656 4.580 0.303 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.973 6.592 -2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.178 5.008 -1.685 1.00 0.00 H new ATOM 880 N ARG A 61 -6.873 3.110 1.496 1.00 0.00 N ATOM 881 CA ARG A 61 -6.726 2.341 2.725 1.00 0.00 C ATOM 882 C ARG A 61 -5.281 2.371 3.216 1.00 0.00 C ATOM 883 O ARG A 61 -4.927 1.690 4.180 1.00 0.00 O ATOM 884 CB ARG A 61 -7.171 0.895 2.504 1.00 0.00 C ATOM 885 CG ARG A 61 -8.569 0.770 1.922 1.00 0.00 C ATOM 886 CD ARG A 61 -9.137 -0.625 2.129 1.00 0.00 C ATOM 887 NE ARG A 61 -10.597 -0.636 2.079 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.368 -0.068 3.000 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.821 0.551 4.037 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.689 -0.120 2.885 1.00 0.00 N ATOM 0 H ARG A 61 -6.488 2.657 0.667 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.360 2.796 3.486 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.463 0.404 1.836 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.134 0.363 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.225 1.504 2.389 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.542 0.999 0.857 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.743 -1.294 1.364 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.805 -1.012 3.092 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.049 -1.105 1.294 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.806 0.592 4.129 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.415 0.986 4.743 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.113 -0.596 2.089 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.280 0.316 3.593 1.00 0.00 H new ATOM 904 N LEU A 62 -4.451 3.162 2.546 1.00 0.00 N ATOM 905 CA LEU A 62 -3.044 3.280 2.913 1.00 0.00 C ATOM 906 C LEU A 62 -2.780 4.593 3.645 1.00 0.00 C ATOM 907 O LEU A 62 -3.492 5.577 3.448 1.00 0.00 O ATOM 908 CB LEU A 62 -2.162 3.193 1.666 1.00 0.00 C ATOM 909 CG LEU A 62 -1.816 1.782 1.187 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.170 0.982 2.307 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.060 1.074 0.672 1.00 0.00 C ATOM 0 H LEU A 62 -4.727 3.731 1.746 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.799 2.456 3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.663 3.719 0.853 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.232 3.726 1.865 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.102 1.862 0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.931 -0.019 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.256 1.480 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.860 0.911 3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.795 0.072 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.797 1.005 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.481 1.637 -0.161 1.00 0.00 H new ATOM 923 N GLN A 63 -1.752 4.598 4.487 1.00 0.00 N ATOM 924 CA GLN A 63 -1.394 5.790 5.247 1.00 0.00 C ATOM 925 C GLN A 63 0.047 6.202 4.966 1.00 0.00 C ATOM 926 O GLN A 63 0.988 5.554 5.426 1.00 0.00 O ATOM 927 CB GLN A 63 -1.584 5.543 6.744 1.00 0.00 C ATOM 928 CG GLN A 63 -1.107 6.693 7.616 1.00 0.00 C ATOM 929 CD GLN A 63 -1.602 6.587 9.045 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.518 5.527 9.666 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.123 7.687 9.575 1.00 0.00 N ATOM 0 H GLN A 63 -1.153 3.791 4.660 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.052 6.601 4.934 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.640 5.361 6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.046 4.637 7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.017 6.718 7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.448 7.635 7.187 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.173 8.544 9.024 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.473 7.675 10.533 1.00 0.00 H new ATOM 940 N ILE A 64 0.213 7.282 4.210 1.00 0.00 N ATOM 941 CA ILE A 64 1.540 7.779 3.869 1.00 0.00 C ATOM 942 C ILE A 64 2.246 8.346 5.096 1.00 0.00 C ATOM 943 O ILE A 64 1.791 9.323 5.693 1.00 0.00 O ATOM 944 CB ILE A 64 1.471 8.868 2.782 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.745 8.338 1.544 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.869 9.345 2.420 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.450 7.175 0.882 1.00 0.00 C ATOM 0 H ILE A 64 -0.555 7.830 3.822 1.00 0.00 H new ATOM 0 HA ILE A 64 2.106 6.930 3.486 1.00 0.00 H new ATOM 0 HB ILE A 64 0.910 9.716 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.261 8.029 1.827 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.638 9.147 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.803 10.114 1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.353 9.757 3.305 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.454 8.505 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.879 6.851 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.447 7.485 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.533 6.350 1.589 1.00 0.00 H new ATOM 959 N LEU A 65 3.362 7.728 5.467 1.00 0.00 N ATOM 960 CA LEU A 65 4.134 8.171 6.623 1.00 0.00 C ATOM 961 C LEU A 65 5.348 8.985 6.187 1.00 0.00 C ATOM 962 O LEU A 65 5.596 10.074 6.703 1.00 0.00 O ATOM 963 CB LEU A 65 4.583 6.968 7.453 1.00 0.00 C ATOM 964 CG LEU A 65 3.479 6.004 7.890 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.077 4.694 8.380 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.616 6.636 8.972 1.00 0.00 C ATOM 0 H LEU A 65 3.753 6.919 4.984 1.00 0.00 H new ATOM 0 HA LEU A 65 3.494 8.807 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.319 6.408 6.876 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.090 7.336 8.345 1.00 0.00 H new ATOM 0 HG LEU A 65 2.847 5.791 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.276 4.021 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.651 4.233 7.576 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.733 4.888 9.229 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.836 5.936 9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.235 6.879 9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.158 7.547 8.586 1.00 0.00 H new