USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 456 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.791 K(o=-0.79,f=-1.3) USER MOD Single : A 17 CYS SG : rot 46:sc= -0.277 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 16:sc= 0.682 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -150:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 170:sc= -0.668 USER MOD Single : A 51 HIS : no HE2:sc= -14.9! C(o=-15!,f=-16!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= -3.25! C(o=-3.3!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.032 4.380 -3.727 1.00 0.00 N ATOM 60 CA GLY A 7 10.225 3.442 -2.969 1.00 0.00 C ATOM 61 C GLY A 7 9.809 3.994 -1.620 1.00 0.00 C ATOM 62 O GLY A 7 10.572 3.934 -0.654 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.335 3.186 -3.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.787 2.519 -2.823 1.00 0.00 H new ATOM 66 N LEU A 8 8.598 4.535 -1.551 1.00 0.00 N ATOM 67 CA LEU A 8 8.082 5.102 -0.310 1.00 0.00 C ATOM 68 C LEU A 8 7.518 4.011 0.594 1.00 0.00 C ATOM 69 O LEU A 8 7.401 2.854 0.189 1.00 0.00 O ATOM 70 CB LEU A 8 7.001 6.141 -0.611 1.00 0.00 C ATOM 71 CG LEU A 8 7.494 7.560 -0.896 1.00 0.00 C ATOM 72 CD1 LEU A 8 8.160 8.151 0.337 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.454 7.564 -2.077 1.00 0.00 C ATOM 0 H LEU A 8 7.955 4.593 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 8 8.908 5.587 0.210 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.426 5.798 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.316 6.179 0.236 1.00 0.00 H new ATOM 0 HG LEU A 8 6.634 8.179 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.505 9.161 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.443 8.184 1.157 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.010 7.532 0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.795 8.582 -2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.312 6.930 -1.851 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.944 7.182 -2.962 1.00 0.00 H new ATOM 85 N LEU A 9 7.167 4.388 1.819 1.00 0.00 N ATOM 86 CA LEU A 9 6.611 3.442 2.780 1.00 0.00 C ATOM 87 C LEU A 9 5.236 3.896 3.258 1.00 0.00 C ATOM 88 O LEU A 9 5.037 5.064 3.589 1.00 0.00 O ATOM 89 CB LEU A 9 7.553 3.287 3.975 1.00 0.00 C ATOM 90 CG LEU A 9 8.965 2.793 3.657 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.917 3.131 4.795 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.960 1.295 3.391 1.00 0.00 C ATOM 0 H LEU A 9 7.258 5.341 2.170 1.00 0.00 H new ATOM 0 HA LEU A 9 6.502 2.478 2.283 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.632 4.251 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.098 2.594 4.683 1.00 0.00 H new ATOM 0 HG LEU A 9 9.312 3.300 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.917 2.772 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.944 4.211 4.938 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.573 2.652 5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.973 0.962 3.167 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.592 0.770 4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.311 1.078 2.543 1.00 0.00 H new ATOM 104 N ALA A 10 4.290 2.963 3.293 1.00 0.00 N ATOM 105 CA ALA A 10 2.934 3.266 3.735 1.00 0.00 C ATOM 106 C ALA A 10 2.378 2.146 4.608 1.00 0.00 C ATOM 107 O ALA A 10 2.738 0.980 4.442 1.00 0.00 O ATOM 108 CB ALA A 10 2.029 3.502 2.535 1.00 0.00 C ATOM 0 H ALA A 10 4.438 1.991 3.021 1.00 0.00 H new ATOM 0 HA ALA A 10 2.968 4.175 4.335 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.020 3.727 2.879 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.409 4.341 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.009 2.607 1.913 1.00 0.00 H new ATOM 114 N ARG A 11 1.499 2.507 5.537 1.00 0.00 N ATOM 115 CA ARG A 11 0.894 1.532 6.437 1.00 0.00 C ATOM 116 C ARG A 11 -0.458 1.067 5.905 1.00 0.00 C ATOM 117 O ARG A 11 -1.040 1.698 5.024 1.00 0.00 O ATOM 118 CB ARG A 11 0.727 2.132 7.834 1.00 0.00 C ATOM 119 CG ARG A 11 0.400 1.103 8.904 1.00 0.00 C ATOM 120 CD ARG A 11 0.451 1.711 10.296 1.00 0.00 C ATOM 121 NE ARG A 11 -0.837 2.268 10.699 1.00 0.00 N ATOM 122 CZ ARG A 11 -1.006 3.028 11.775 1.00 0.00 C ATOM 123 NH1 ARG A 11 0.028 3.320 12.553 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.210 3.498 12.075 1.00 0.00 N ATOM 0 H ARG A 11 1.190 3.467 5.686 1.00 0.00 H new ATOM 0 HA ARG A 11 1.557 0.669 6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.645 2.651 8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.066 2.880 7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.592 0.690 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.106 0.275 8.842 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.756 0.949 11.013 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.208 2.494 10.322 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.653 2.062 10.122 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.955 2.961 12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.104 3.904 13.379 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.007 3.276 11.479 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.338 4.082 12.902 1.00 0.00 H new ATOM 138 N ALA A 12 -0.951 -0.042 6.448 1.00 0.00 N ATOM 139 CA ALA A 12 -2.235 -0.591 6.029 1.00 0.00 C ATOM 140 C ALA A 12 -3.278 -0.451 7.133 1.00 0.00 C ATOM 141 O ALA A 12 -3.309 -1.244 8.076 1.00 0.00 O ATOM 142 CB ALA A 12 -2.080 -2.050 5.629 1.00 0.00 C ATOM 0 H ALA A 12 -0.481 -0.577 7.178 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.580 -0.024 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.047 -2.447 5.318 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.373 -2.128 4.803 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.709 -2.623 6.479 1.00 0.00 H new ATOM 148 N LEU A 13 -4.130 0.561 7.012 1.00 0.00 N ATOM 149 CA LEU A 13 -5.174 0.805 8.001 1.00 0.00 C ATOM 150 C LEU A 13 -6.267 -0.255 7.911 1.00 0.00 C ATOM 151 O LEU A 13 -7.121 -0.357 8.792 1.00 0.00 O ATOM 152 CB LEU A 13 -5.779 2.195 7.800 1.00 0.00 C ATOM 153 CG LEU A 13 -4.783 3.347 7.660 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.508 4.642 7.328 1.00 0.00 C ATOM 155 CD2 LEU A 13 -3.966 3.503 8.934 1.00 0.00 C ATOM 0 H LEU A 13 -4.118 1.226 6.239 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.722 0.752 8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.404 2.171 6.908 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.435 2.409 8.644 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.102 3.116 6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.783 5.450 7.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.048 4.526 6.389 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.213 4.879 8.125 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.263 4.327 8.816 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.633 3.712 9.771 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.417 2.582 9.129 1.00 0.00 H new ATOM 167 N TYR A 14 -6.232 -1.044 6.843 1.00 0.00 N ATOM 168 CA TYR A 14 -7.220 -2.097 6.638 1.00 0.00 C ATOM 169 C TYR A 14 -6.714 -3.131 5.637 1.00 0.00 C ATOM 170 O TYR A 14 -6.203 -2.783 4.573 1.00 0.00 O ATOM 171 CB TYR A 14 -8.540 -1.499 6.148 1.00 0.00 C ATOM 172 CG TYR A 14 -8.903 -0.197 6.824 1.00 0.00 C ATOM 173 CD1 TYR A 14 -8.439 1.017 6.332 1.00 0.00 C ATOM 174 CD2 TYR A 14 -9.710 -0.180 7.955 1.00 0.00 C ATOM 175 CE1 TYR A 14 -8.768 2.210 6.947 1.00 0.00 C ATOM 176 CE2 TYR A 14 -10.045 1.008 8.575 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.571 2.200 8.068 1.00 0.00 C ATOM 178 OH TYR A 14 -9.902 3.386 8.683 1.00 0.00 O ATOM 0 H TYR A 14 -5.530 -0.975 6.106 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.387 -2.594 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.478 -1.335 5.072 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.340 -2.220 6.315 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -7.810 1.028 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.082 -1.111 8.356 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -8.398 3.145 6.552 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.675 1.004 9.452 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.474 3.204 9.457 1.00 0.00 H new ATOM 188 N ASP A 15 -6.861 -4.405 5.987 1.00 0.00 N ATOM 189 CA ASP A 15 -6.421 -5.491 5.120 1.00 0.00 C ATOM 190 C ASP A 15 -7.065 -5.381 3.741 1.00 0.00 C ATOM 191 O ASP A 15 -7.976 -4.581 3.533 1.00 0.00 O ATOM 192 CB ASP A 15 -6.761 -6.844 5.748 1.00 0.00 C ATOM 193 CG ASP A 15 -8.254 -7.108 5.780 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.015 -6.172 6.098 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.660 -8.253 5.487 1.00 0.00 O ATOM 0 H ASP A 15 -7.281 -4.710 6.865 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.340 -5.414 5.004 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.267 -7.637 5.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.367 -6.879 6.764 1.00 0.00 H new ATOM 200 N ASN A 16 -6.584 -6.190 2.802 1.00 0.00 N ATOM 201 CA ASN A 16 -7.112 -6.182 1.443 1.00 0.00 C ATOM 202 C ASN A 16 -7.203 -7.600 0.886 1.00 0.00 C ATOM 203 O ASN A 16 -6.226 -8.349 0.905 1.00 0.00 O ATOM 204 CB ASN A 16 -6.229 -5.322 0.536 1.00 0.00 C ATOM 205 CG ASN A 16 -6.637 -5.412 -0.922 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.818 -5.552 -1.240 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.659 -5.332 -1.816 1.00 0.00 N ATOM 0 H ASN A 16 -5.830 -6.859 2.958 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.115 -5.757 1.472 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.281 -4.283 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.191 -5.637 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.873 -5.386 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.694 -5.216 -1.507 1.00 0.00 H new ATOM 214 N CYS A 17 -8.382 -7.960 0.392 1.00 0.00 N ATOM 215 CA CYS A 17 -8.602 -9.288 -0.170 1.00 0.00 C ATOM 216 C CYS A 17 -8.718 -9.223 -1.690 1.00 0.00 C ATOM 217 O CYS A 17 -9.813 -9.217 -2.253 1.00 0.00 O ATOM 218 CB CYS A 17 -9.865 -9.913 0.424 1.00 0.00 C ATOM 219 SG CYS A 17 -11.354 -8.909 0.214 1.00 0.00 S ATOM 0 H CYS A 17 -9.200 -7.351 0.369 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.744 -9.910 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.028 -10.886 -0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.705 -10.088 1.488 1.00 0.00 H new ATOM 0 HG CYS A 17 -11.419 -8.479 -1.011 1.00 0.00 H new ATOM 225 N PRO A 18 -7.563 -9.171 -2.370 1.00 0.00 N ATOM 226 CA PRO A 18 -7.509 -9.104 -3.833 1.00 0.00 C ATOM 227 C PRO A 18 -7.951 -10.408 -4.490 1.00 0.00 C ATOM 228 O PRO A 18 -7.737 -11.491 -3.947 1.00 0.00 O ATOM 229 CB PRO A 18 -6.030 -8.835 -4.121 1.00 0.00 C ATOM 230 CG PRO A 18 -5.308 -9.382 -2.939 1.00 0.00 C ATOM 231 CD PRO A 18 -6.222 -9.175 -1.763 1.00 0.00 C ATOM 0 HA PRO A 18 -8.180 -8.343 -4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.711 -9.324 -5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.838 -7.769 -4.244 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.081 -10.439 -3.075 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.358 -8.869 -2.790 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.116 -9.972 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.010 -8.237 -1.250 1.00 0.00 H new ATOM 239 N ASP A 19 -8.568 -10.295 -5.661 1.00 0.00 N ATOM 240 CA ASP A 19 -9.038 -11.465 -6.393 1.00 0.00 C ATOM 241 C ASP A 19 -8.017 -11.899 -7.440 1.00 0.00 C ATOM 242 O ASP A 19 -7.880 -13.087 -7.733 1.00 0.00 O ATOM 243 CB ASP A 19 -10.380 -11.168 -7.064 1.00 0.00 C ATOM 244 CG ASP A 19 -11.134 -12.429 -7.435 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.397 -13.250 -6.531 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.461 -12.597 -8.629 1.00 0.00 O ATOM 0 H ASP A 19 -8.754 -9.405 -6.124 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.169 -12.279 -5.681 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.993 -10.566 -6.393 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.210 -10.573 -7.961 1.00 0.00 H new ATOM 251 N CYS A 20 -7.303 -10.929 -7.999 1.00 0.00 N ATOM 252 CA CYS A 20 -6.294 -11.210 -9.015 1.00 0.00 C ATOM 253 C CYS A 20 -4.889 -11.060 -8.442 1.00 0.00 C ATOM 254 O CYS A 20 -4.714 -10.608 -7.311 1.00 0.00 O ATOM 255 CB CYS A 20 -6.472 -10.275 -10.212 1.00 0.00 C ATOM 256 SG CYS A 20 -7.903 -10.664 -11.246 1.00 0.00 S ATOM 0 H CYS A 20 -7.404 -9.941 -7.766 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.424 -12.241 -9.345 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.567 -9.252 -9.849 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.572 -10.313 -10.826 1.00 0.00 H new ATOM 0 HG CYS A 20 -7.970 -9.817 -12.230 1.00 0.00 H new ATOM 262 N SER A 21 -3.890 -11.445 -9.230 1.00 0.00 N ATOM 263 CA SER A 21 -2.500 -11.360 -8.799 1.00 0.00 C ATOM 264 C SER A 21 -2.017 -9.912 -8.806 1.00 0.00 C ATOM 265 O SER A 21 -1.265 -9.493 -7.926 1.00 0.00 O ATOM 266 CB SER A 21 -1.609 -12.211 -9.706 1.00 0.00 C ATOM 267 OG SER A 21 -1.604 -13.565 -9.290 1.00 0.00 O ATOM 0 H SER A 21 -4.018 -11.819 -10.170 1.00 0.00 H new ATOM 0 HA SER A 21 -2.438 -11.741 -7.780 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.963 -12.145 -10.735 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.592 -11.819 -9.693 1.00 0.00 H new ATOM 0 HG SER A 21 -1.029 -14.088 -9.886 1.00 0.00 H new ATOM 273 N ASP A 22 -2.455 -9.154 -9.805 1.00 0.00 N ATOM 274 CA ASP A 22 -2.069 -7.753 -9.928 1.00 0.00 C ATOM 275 C ASP A 22 -2.116 -7.056 -8.572 1.00 0.00 C ATOM 276 O ASP A 22 -1.103 -6.555 -8.086 1.00 0.00 O ATOM 277 CB ASP A 22 -2.988 -7.034 -10.918 1.00 0.00 C ATOM 278 CG ASP A 22 -4.384 -7.626 -10.947 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.231 -7.185 -10.143 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.628 -8.530 -11.773 1.00 0.00 O ATOM 0 H ASP A 22 -3.078 -9.486 -10.542 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.045 -7.714 -10.301 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.049 -5.979 -10.652 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.554 -7.086 -11.916 1.00 0.00 H new ATOM 285 N GLU A 23 -3.300 -7.027 -7.968 1.00 0.00 N ATOM 286 CA GLU A 23 -3.479 -6.389 -6.669 1.00 0.00 C ATOM 287 C GLU A 23 -2.614 -7.064 -5.608 1.00 0.00 C ATOM 288 O GLU A 23 -2.094 -8.161 -5.820 1.00 0.00 O ATOM 289 CB GLU A 23 -4.950 -6.437 -6.250 1.00 0.00 C ATOM 290 CG GLU A 23 -5.822 -5.424 -6.974 1.00 0.00 C ATOM 291 CD GLU A 23 -7.297 -5.766 -6.899 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.962 -5.318 -5.942 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.786 -6.482 -7.798 1.00 0.00 O ATOM 0 H GLU A 23 -4.149 -7.438 -8.357 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.168 -5.348 -6.758 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.340 -7.438 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.019 -6.262 -5.176 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.659 -4.436 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.518 -5.370 -8.019 1.00 0.00 H new ATOM 300 N LEU A 24 -2.465 -6.402 -4.466 1.00 0.00 N ATOM 301 CA LEU A 24 -1.663 -6.936 -3.371 1.00 0.00 C ATOM 302 C LEU A 24 -2.552 -7.401 -2.222 1.00 0.00 C ATOM 303 O LEU A 24 -3.594 -6.806 -1.951 1.00 0.00 O ATOM 304 CB LEU A 24 -0.676 -5.879 -2.872 1.00 0.00 C ATOM 305 CG LEU A 24 0.569 -6.407 -2.159 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.694 -5.385 -2.224 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.249 -6.758 -0.714 1.00 0.00 C ATOM 0 H LEU A 24 -2.889 -5.494 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.106 -7.795 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.355 -5.279 -3.724 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.204 -5.210 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 24 0.898 -7.313 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.572 -5.778 -1.711 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.942 -5.183 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.375 -4.461 -1.741 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.147 -7.132 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.105 -5.868 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.525 -7.526 -0.689 1.00 0.00 H new ATOM 319 N ALA A 25 -2.131 -8.468 -1.550 1.00 0.00 N ATOM 320 CA ALA A 25 -2.887 -9.010 -0.428 1.00 0.00 C ATOM 321 C ALA A 25 -2.142 -8.803 0.887 1.00 0.00 C ATOM 322 O ALA A 25 -1.199 -9.530 1.199 1.00 0.00 O ATOM 323 CB ALA A 25 -3.171 -10.489 -0.648 1.00 0.00 C ATOM 0 H ALA A 25 -1.271 -8.974 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.834 -8.474 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.736 -10.881 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.751 -10.616 -1.562 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.229 -11.031 -0.737 1.00 0.00 H new ATOM 329 N PHE A 26 -2.571 -7.806 1.654 1.00 0.00 N ATOM 330 CA PHE A 26 -1.944 -7.502 2.935 1.00 0.00 C ATOM 331 C PHE A 26 -2.980 -7.473 4.055 1.00 0.00 C ATOM 332 O PHE A 26 -4.178 -7.606 3.809 1.00 0.00 O ATOM 333 CB PHE A 26 -1.214 -6.159 2.863 1.00 0.00 C ATOM 334 CG PHE A 26 -2.069 -5.040 2.341 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.912 -4.341 3.190 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.030 -4.688 1.002 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.700 -3.310 2.712 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.815 -3.658 0.519 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.652 -2.969 1.375 1.00 0.00 C ATOM 0 H PHE A 26 -3.350 -7.195 1.411 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.222 -8.289 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.853 -5.897 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.337 -6.265 2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.954 -4.604 4.237 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.379 -5.224 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.352 -2.772 3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.774 -3.392 -0.527 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.268 -2.165 0.999 1.00 0.00 H new ATOM 349 N SER A 27 -2.508 -7.298 5.285 1.00 0.00 N ATOM 350 CA SER A 27 -3.391 -7.255 6.444 1.00 0.00 C ATOM 351 C SER A 27 -3.033 -6.087 7.357 1.00 0.00 C ATOM 352 O SER A 27 -1.863 -5.733 7.500 1.00 0.00 O ATOM 353 CB SER A 27 -3.310 -8.570 7.222 1.00 0.00 C ATOM 354 OG SER A 27 -1.964 -8.913 7.504 1.00 0.00 O ATOM 0 H SER A 27 -1.518 -7.184 5.504 1.00 0.00 H new ATOM 0 HA SER A 27 -4.411 -7.114 6.088 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.869 -8.480 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.779 -9.367 6.645 1.00 0.00 H new ATOM 0 HG SER A 27 -1.392 -8.128 7.375 1.00 0.00 H new ATOM 360 N ARG A 28 -4.050 -5.493 7.973 1.00 0.00 N ATOM 361 CA ARG A 28 -3.844 -4.363 8.872 1.00 0.00 C ATOM 362 C ARG A 28 -2.595 -4.568 9.725 1.00 0.00 C ATOM 363 O ARG A 28 -2.386 -5.641 10.290 1.00 0.00 O ATOM 364 CB ARG A 28 -5.065 -4.173 9.774 1.00 0.00 C ATOM 365 CG ARG A 28 -4.819 -3.231 10.941 1.00 0.00 C ATOM 366 CD ARG A 28 -4.860 -1.776 10.502 1.00 0.00 C ATOM 367 NE ARG A 28 -5.306 -0.892 11.576 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.565 -0.594 12.637 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.349 -1.106 12.766 1.00 0.00 N ATOM 370 NH2 ARG A 28 -5.040 0.218 13.573 1.00 0.00 N ATOM 0 H ARG A 28 -5.024 -5.775 7.866 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.706 -3.468 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.892 -3.789 9.176 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.375 -5.144 10.161 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.571 -3.401 11.712 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.849 -3.450 11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.868 -1.470 10.169 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.529 -1.674 9.647 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.237 -0.481 11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.980 -1.731 12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.782 -0.875 13.582 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.975 0.614 13.478 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.470 0.446 14.387 1.00 0.00 H new ATOM 384 N GLY A 29 -1.768 -3.531 9.813 1.00 0.00 N ATOM 385 CA GLY A 29 -0.550 -3.618 10.598 1.00 0.00 C ATOM 386 C GLY A 29 0.634 -4.091 9.779 1.00 0.00 C ATOM 387 O GLY A 29 1.467 -4.857 10.265 1.00 0.00 O ATOM 0 H GLY A 29 -1.919 -2.632 9.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.326 -2.640 11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.707 -4.301 11.432 1.00 0.00 H new ATOM 391 N ASP A 30 0.711 -3.636 8.534 1.00 0.00 N ATOM 392 CA ASP A 30 1.802 -4.018 7.645 1.00 0.00 C ATOM 393 C ASP A 30 2.213 -2.849 6.755 1.00 0.00 C ATOM 394 O ASP A 30 1.434 -2.388 5.921 1.00 0.00 O ATOM 395 CB ASP A 30 1.392 -5.212 6.782 1.00 0.00 C ATOM 396 CG ASP A 30 1.323 -6.503 7.575 1.00 0.00 C ATOM 397 OD1 ASP A 30 2.246 -6.756 8.378 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.347 -7.259 7.393 1.00 0.00 O ATOM 0 H ASP A 30 0.030 -3.001 8.117 1.00 0.00 H new ATOM 0 HA ASP A 30 2.656 -4.301 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.420 -5.014 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.105 -5.328 5.965 1.00 0.00 H new ATOM 403 N ILE A 31 3.440 -2.374 6.940 1.00 0.00 N ATOM 404 CA ILE A 31 3.954 -1.260 6.154 1.00 0.00 C ATOM 405 C ILE A 31 4.331 -1.707 4.746 1.00 0.00 C ATOM 406 O ILE A 31 5.332 -2.397 4.549 1.00 0.00 O ATOM 407 CB ILE A 31 5.184 -0.619 6.823 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.767 0.149 8.079 1.00 0.00 C ATOM 409 CG2 ILE A 31 5.899 0.302 5.846 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.251 -0.740 9.188 1.00 0.00 C ATOM 0 H ILE A 31 4.097 -2.744 7.628 1.00 0.00 H new ATOM 0 HA ILE A 31 3.155 -0.521 6.096 1.00 0.00 H new ATOM 0 HB ILE A 31 5.873 -1.411 7.116 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.621 0.717 8.448 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.994 0.871 7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.766 0.747 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.225 -0.271 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.219 1.091 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.974 -0.128 10.046 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.377 -1.289 8.837 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.029 -1.445 9.481 1.00 0.00 H new ATOM 422 N LEU A 32 3.523 -1.309 3.769 1.00 0.00 N ATOM 423 CA LEU A 32 3.772 -1.668 2.377 1.00 0.00 C ATOM 424 C LEU A 32 4.705 -0.659 1.714 1.00 0.00 C ATOM 425 O LEU A 32 4.479 0.550 1.780 1.00 0.00 O ATOM 426 CB LEU A 32 2.454 -1.744 1.606 1.00 0.00 C ATOM 427 CG LEU A 32 1.701 -3.072 1.694 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.641 -4.237 1.426 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.038 -3.221 3.055 1.00 0.00 C ATOM 0 H LEU A 32 2.690 -0.738 3.915 1.00 0.00 H new ATOM 0 HA LEU A 32 4.253 -2.646 2.360 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.798 -0.953 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.658 -1.534 0.556 1.00 0.00 H new ATOM 0 HG LEU A 32 0.922 -3.077 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.088 -5.174 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.068 -4.138 0.428 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.442 -4.235 2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.507 -4.172 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.799 -3.194 3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.333 -2.404 3.207 1.00 0.00 H new ATOM 441 N THR A 33 5.753 -1.164 1.071 1.00 0.00 N ATOM 442 CA THR A 33 6.720 -0.309 0.394 1.00 0.00 C ATOM 443 C THR A 33 6.209 0.120 -0.977 1.00 0.00 C ATOM 444 O THR A 33 6.279 -0.643 -1.942 1.00 0.00 O ATOM 445 CB THR A 33 8.077 -1.018 0.225 1.00 0.00 C ATOM 446 OG1 THR A 33 8.569 -1.442 1.501 1.00 0.00 O ATOM 447 CG2 THR A 33 9.091 -0.095 -0.434 1.00 0.00 C ATOM 0 H THR A 33 5.954 -2.162 1.005 1.00 0.00 H new ATOM 0 HA THR A 33 6.855 0.572 1.021 1.00 0.00 H new ATOM 0 HB THR A 33 7.931 -1.888 -0.416 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.431 -1.893 1.386 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.042 -0.617 -0.543 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.726 0.204 -1.417 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.233 0.791 0.185 1.00 0.00 H new ATOM 455 N ILE A 34 5.697 1.343 -1.057 1.00 0.00 N ATOM 456 CA ILE A 34 5.177 1.872 -2.312 1.00 0.00 C ATOM 457 C ILE A 34 6.284 2.008 -3.352 1.00 0.00 C ATOM 458 O ILE A 34 7.043 2.978 -3.345 1.00 0.00 O ATOM 459 CB ILE A 34 4.508 3.245 -2.109 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.423 3.154 -1.034 1.00 0.00 C ATOM 461 CG2 ILE A 34 3.921 3.746 -3.420 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.964 4.501 -0.524 1.00 0.00 C ATOM 0 H ILE A 34 5.631 1.986 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 34 4.431 1.162 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 34 5.264 3.956 -1.776 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.566 2.617 -1.439 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.801 2.567 -0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.452 4.717 -3.261 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.715 3.844 -4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.175 3.037 -3.779 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.195 4.360 0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.810 5.033 -0.089 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.556 5.083 -1.350 1.00 0.00 H new ATOM 474 N LEU A 35 6.369 1.030 -4.247 1.00 0.00 N ATOM 475 CA LEU A 35 7.382 1.040 -5.297 1.00 0.00 C ATOM 476 C LEU A 35 7.160 2.204 -6.257 1.00 0.00 C ATOM 477 O LEU A 35 8.095 2.928 -6.596 1.00 0.00 O ATOM 478 CB LEU A 35 7.361 -0.282 -6.066 1.00 0.00 C ATOM 479 CG LEU A 35 7.444 -1.553 -5.220 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.176 -2.782 -6.074 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.804 -1.656 -4.546 1.00 0.00 C ATOM 0 H LEU A 35 5.749 0.220 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 35 8.357 1.163 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.445 -0.321 -6.656 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.194 -0.283 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 35 6.679 -1.501 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.239 -3.677 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.179 -2.712 -6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.917 -2.840 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.846 -2.566 -3.948 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.585 -1.685 -5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.957 -0.791 -3.901 1.00 0.00 H new ATOM 493 N GLU A 36 5.915 2.377 -6.691 1.00 0.00 N ATOM 494 CA GLU A 36 5.570 3.455 -7.611 1.00 0.00 C ATOM 495 C GLU A 36 4.223 4.071 -7.247 1.00 0.00 C ATOM 496 O GLU A 36 3.223 3.366 -7.113 1.00 0.00 O ATOM 497 CB GLU A 36 5.534 2.935 -9.049 1.00 0.00 C ATOM 498 CG GLU A 36 4.255 2.190 -9.395 1.00 0.00 C ATOM 499 CD GLU A 36 4.472 1.113 -10.441 1.00 0.00 C ATOM 500 OE1 GLU A 36 4.774 1.464 -11.601 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.340 -0.081 -10.098 1.00 0.00 O ATOM 0 H GLU A 36 5.129 1.785 -6.421 1.00 0.00 H new ATOM 0 HA GLU A 36 6.336 4.226 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.652 3.775 -9.733 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.385 2.273 -9.208 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.847 1.737 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.512 2.900 -9.759 1.00 0.00 H new ATOM 508 N GLN A 37 4.205 5.390 -7.088 1.00 0.00 N ATOM 509 CA GLN A 37 2.981 6.101 -6.738 1.00 0.00 C ATOM 510 C GLN A 37 2.132 6.366 -7.977 1.00 0.00 C ATOM 511 O GLN A 37 0.905 6.274 -7.933 1.00 0.00 O ATOM 512 CB GLN A 37 3.315 7.422 -6.042 1.00 0.00 C ATOM 513 CG GLN A 37 3.831 7.249 -4.623 1.00 0.00 C ATOM 514 CD GLN A 37 4.040 8.571 -3.913 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.294 9.596 -4.546 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.934 8.556 -2.589 1.00 0.00 N ATOM 0 H GLN A 37 5.024 5.988 -7.196 1.00 0.00 H new ATOM 0 HA GLN A 37 2.408 5.473 -6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.064 7.953 -6.630 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.423 8.048 -6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.125 6.644 -4.055 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.773 6.701 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.722 7.684 -2.104 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.064 9.417 -2.057 1.00 0.00 H new ATOM 525 N HIS A 38 2.794 6.695 -9.083 1.00 0.00 N ATOM 526 CA HIS A 38 2.099 6.972 -10.335 1.00 0.00 C ATOM 527 C HIS A 38 1.629 5.679 -10.994 1.00 0.00 C ATOM 528 O HIS A 38 2.424 4.944 -11.579 1.00 0.00 O ATOM 529 CB HIS A 38 3.013 7.742 -11.289 1.00 0.00 C ATOM 530 CG HIS A 38 2.270 8.556 -12.303 1.00 0.00 C ATOM 531 ND1 HIS A 38 1.909 9.870 -12.094 1.00 0.00 N ATOM 532 CD2 HIS A 38 1.822 8.236 -13.540 1.00 0.00 C ATOM 533 CE1 HIS A 38 1.269 10.323 -13.158 1.00 0.00 C ATOM 534 NE2 HIS A 38 1.204 9.351 -14.050 1.00 0.00 N ATOM 0 H HIS A 38 3.809 6.776 -9.137 1.00 0.00 H new ATOM 0 HA HIS A 38 1.224 7.582 -10.110 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.658 8.401 -10.708 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.662 7.036 -11.807 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.931 7.282 -14.034 1.00 0.00 H new ATOM 0 HE1 HIS A 38 0.868 11.318 -13.278 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.766 9.418 -14.969 1.00 0.00 H new ATOM 543 N VAL A 39 0.332 5.407 -10.894 1.00 0.00 N ATOM 544 CA VAL A 39 -0.245 4.203 -11.480 1.00 0.00 C ATOM 545 C VAL A 39 -1.459 4.537 -12.339 1.00 0.00 C ATOM 546 O VAL A 39 -2.587 4.625 -11.856 1.00 0.00 O ATOM 547 CB VAL A 39 -0.661 3.194 -10.393 1.00 0.00 C ATOM 548 CG1 VAL A 39 -1.064 1.868 -11.022 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.466 2.997 -9.390 1.00 0.00 C ATOM 0 H VAL A 39 -0.340 6.005 -10.412 1.00 0.00 H new ATOM 0 HA VAL A 39 0.527 3.755 -12.106 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.524 3.594 -9.861 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.355 1.167 -10.239 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.904 2.026 -11.698 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.222 1.459 -11.580 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.155 2.281 -8.629 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.349 2.619 -9.905 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.702 3.950 -8.917 1.00 0.00 H new ATOM 559 N PRO A 40 -1.224 4.728 -13.646 1.00 0.00 N ATOM 560 CA PRO A 40 -2.286 5.054 -14.602 1.00 0.00 C ATOM 561 C PRO A 40 -3.230 3.881 -14.842 1.00 0.00 C ATOM 562 O PRO A 40 -4.447 4.054 -14.897 1.00 0.00 O ATOM 563 CB PRO A 40 -1.519 5.394 -15.882 1.00 0.00 C ATOM 564 CG PRO A 40 -0.231 4.657 -15.759 1.00 0.00 C ATOM 565 CD PRO A 40 0.097 4.638 -14.292 1.00 0.00 C ATOM 0 HA PRO A 40 -2.923 5.862 -14.243 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.071 5.082 -16.769 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.354 6.468 -15.971 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.322 3.644 -16.152 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.557 5.150 -16.329 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.621 3.725 -14.009 1.00 0.00 H new ATOM 0 HD3 PRO A 40 0.739 5.474 -14.013 1.00 0.00 H new ATOM 573 N GLU A 41 -2.661 2.688 -14.984 1.00 0.00 N ATOM 574 CA GLU A 41 -3.454 1.487 -15.219 1.00 0.00 C ATOM 575 C GLU A 41 -4.573 1.364 -14.189 1.00 0.00 C ATOM 576 O GLU A 41 -5.688 0.956 -14.514 1.00 0.00 O ATOM 577 CB GLU A 41 -2.563 0.244 -15.171 1.00 0.00 C ATOM 578 CG GLU A 41 -1.709 0.155 -13.917 1.00 0.00 C ATOM 579 CD GLU A 41 -0.752 -1.021 -13.946 1.00 0.00 C ATOM 580 OE1 GLU A 41 -1.157 -2.127 -13.533 1.00 0.00 O ATOM 581 OE2 GLU A 41 0.404 -0.833 -14.381 1.00 0.00 O ATOM 0 H GLU A 41 -1.655 2.527 -14.940 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.902 1.566 -16.209 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -3.190 -0.645 -15.237 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.912 0.240 -16.045 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.141 1.078 -13.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.358 0.069 -13.045 1.00 0.00 H new ATOM 588 N SER A 42 -4.267 1.720 -12.946 1.00 0.00 N ATOM 589 CA SER A 42 -5.245 1.645 -11.867 1.00 0.00 C ATOM 590 C SER A 42 -5.413 3.003 -11.191 1.00 0.00 C ATOM 591 O SER A 42 -4.506 3.489 -10.517 1.00 0.00 O ATOM 592 CB SER A 42 -4.819 0.599 -10.835 1.00 0.00 C ATOM 593 OG SER A 42 -4.835 -0.703 -11.393 1.00 0.00 O ATOM 0 H SER A 42 -3.350 2.063 -12.661 1.00 0.00 H new ATOM 0 HA SER A 42 -6.202 1.351 -12.298 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.818 0.830 -10.471 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.488 0.638 -9.975 1.00 0.00 H new ATOM 0 HG SER A 42 -5.035 -1.357 -10.691 1.00 0.00 H new ATOM 599 N GLU A 43 -6.581 3.610 -11.379 1.00 0.00 N ATOM 600 CA GLU A 43 -6.868 4.912 -10.789 1.00 0.00 C ATOM 601 C GLU A 43 -7.163 4.780 -9.297 1.00 0.00 C ATOM 602 O GLU A 43 -8.200 4.249 -8.903 1.00 0.00 O ATOM 603 CB GLU A 43 -8.054 5.568 -11.498 1.00 0.00 C ATOM 604 CG GLU A 43 -8.277 7.017 -11.099 1.00 0.00 C ATOM 605 CD GLU A 43 -7.046 7.877 -11.311 1.00 0.00 C ATOM 606 OE1 GLU A 43 -6.089 7.750 -10.518 1.00 0.00 O ATOM 607 OE2 GLU A 43 -7.039 8.676 -12.270 1.00 0.00 O ATOM 0 H GLU A 43 -7.343 3.221 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.986 5.541 -10.914 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.896 5.517 -12.575 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.957 4.997 -11.281 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.105 7.426 -11.678 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.569 7.060 -10.050 1.00 0.00 H new ATOM 614 N GLY A 44 -6.241 5.268 -8.472 1.00 0.00 N ATOM 615 CA GLY A 44 -6.420 5.195 -7.034 1.00 0.00 C ATOM 616 C GLY A 44 -5.764 3.969 -6.430 1.00 0.00 C ATOM 617 O GLY A 44 -6.266 3.403 -5.459 1.00 0.00 O ATOM 0 H GLY A 44 -5.374 5.712 -8.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.003 6.091 -6.573 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.485 5.184 -6.804 1.00 0.00 H new ATOM 621 N TRP A 45 -4.640 3.558 -7.005 1.00 0.00 N ATOM 622 CA TRP A 45 -3.915 2.390 -6.518 1.00 0.00 C ATOM 623 C TRP A 45 -2.419 2.672 -6.436 1.00 0.00 C ATOM 624 O TRP A 45 -1.941 3.683 -6.950 1.00 0.00 O ATOM 625 CB TRP A 45 -4.171 1.189 -7.430 1.00 0.00 C ATOM 626 CG TRP A 45 -5.556 0.630 -7.302 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.693 1.119 -7.877 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.948 -0.523 -6.549 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.770 0.340 -7.528 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.339 -0.675 -6.714 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.260 -1.443 -5.753 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.052 -1.708 -6.111 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -5.969 -2.468 -5.155 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.353 -2.594 -5.337 1.00 0.00 C ATOM 0 H TRP A 45 -4.211 4.016 -7.809 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.277 2.161 -5.516 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.001 1.485 -8.465 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.448 0.406 -7.199 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.740 1.991 -8.513 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.733 0.492 -7.826 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.193 -1.355 -5.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.119 -1.806 -6.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.448 -3.184 -4.537 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -7.878 -3.406 -4.857 1.00 0.00 H new ATOM 645 N TRP A 46 -1.686 1.774 -5.789 1.00 0.00 N ATOM 646 CA TRP A 46 -0.244 1.928 -5.641 1.00 0.00 C ATOM 647 C TRP A 46 0.456 0.574 -5.689 1.00 0.00 C ATOM 648 O TRP A 46 -0.017 -0.402 -5.107 1.00 0.00 O ATOM 649 CB TRP A 46 0.082 2.637 -4.325 1.00 0.00 C ATOM 650 CG TRP A 46 -0.159 4.116 -4.372 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.102 4.921 -5.474 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.493 4.965 -3.269 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.381 6.220 -5.122 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.625 6.273 -3.775 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.696 4.748 -1.903 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -0.949 7.356 -2.962 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.017 5.824 -1.098 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.142 7.114 -1.629 1.00 0.00 C ATOM 0 H TRP A 46 -2.067 0.931 -5.358 1.00 0.00 H new ATOM 0 HA TRP A 46 0.118 2.534 -6.472 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.521 2.203 -3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.126 2.454 -4.071 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.128 4.586 -6.475 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.403 7.015 -5.760 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.604 3.757 -1.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.045 8.352 -3.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.174 5.668 -0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.396 7.934 -0.973 1.00 0.00 H new ATOM 669 N LYS A 47 1.586 0.521 -6.386 1.00 0.00 N ATOM 670 CA LYS A 47 2.353 -0.713 -6.510 1.00 0.00 C ATOM 671 C LYS A 47 3.326 -0.868 -5.345 1.00 0.00 C ATOM 672 O LYS A 47 4.360 -0.200 -5.296 1.00 0.00 O ATOM 673 CB LYS A 47 3.119 -0.731 -7.834 1.00 0.00 C ATOM 674 CG LYS A 47 3.554 -2.120 -8.267 1.00 0.00 C ATOM 675 CD LYS A 47 2.496 -2.794 -9.125 1.00 0.00 C ATOM 676 CE LYS A 47 2.696 -2.483 -10.601 1.00 0.00 C ATOM 677 NZ LYS A 47 2.133 -3.551 -11.473 1.00 0.00 N ATOM 0 H LYS A 47 1.991 1.320 -6.874 1.00 0.00 H new ATOM 0 HA LYS A 47 1.654 -1.549 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.492 -0.297 -8.613 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.000 -0.096 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.488 -2.052 -8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.753 -2.731 -7.386 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.533 -3.872 -8.971 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.506 -2.461 -8.813 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.221 -1.531 -10.839 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.760 -2.369 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.289 -3.303 -12.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.604 -4.454 -11.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.113 -3.643 -11.295 1.00 0.00 H new ATOM 691 N CYS A 48 2.989 -1.751 -4.413 1.00 0.00 N ATOM 692 CA CYS A 48 3.834 -1.994 -3.249 1.00 0.00 C ATOM 693 C CYS A 48 4.470 -3.379 -3.318 1.00 0.00 C ATOM 694 O CYS A 48 4.150 -4.177 -4.200 1.00 0.00 O ATOM 695 CB CYS A 48 3.018 -1.859 -1.963 1.00 0.00 C ATOM 696 SG CYS A 48 2.137 -0.287 -1.810 1.00 0.00 S ATOM 0 H CYS A 48 2.137 -2.311 -4.440 1.00 0.00 H new ATOM 0 HA CYS A 48 4.629 -1.248 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.296 -2.674 -1.916 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.685 -1.974 -1.108 1.00 0.00 H new ATOM 0 HG CYS A 48 1.313 -0.347 -0.807 1.00 0.00 H new ATOM 702 N LEU A 49 5.374 -3.656 -2.385 1.00 0.00 N ATOM 703 CA LEU A 49 6.057 -4.944 -2.340 1.00 0.00 C ATOM 704 C LEU A 49 6.030 -5.527 -0.931 1.00 0.00 C ATOM 705 O LEU A 49 6.394 -4.857 0.037 1.00 0.00 O ATOM 706 CB LEU A 49 7.504 -4.793 -2.814 1.00 0.00 C ATOM 707 CG LEU A 49 8.344 -6.070 -2.823 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.719 -6.474 -1.406 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.594 -7.196 -3.520 1.00 0.00 C ATOM 0 H LEU A 49 5.651 -3.006 -1.649 1.00 0.00 H new ATOM 0 HA LEU A 49 5.532 -5.629 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.493 -4.382 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.999 -4.061 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 49 9.262 -5.874 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.317 -7.385 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.296 -5.675 -0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.813 -6.652 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.207 -8.098 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.659 -7.391 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.378 -6.907 -4.549 1.00 0.00 H new ATOM 721 N LEU A 50 5.597 -6.778 -0.822 1.00 0.00 N ATOM 722 CA LEU A 50 5.524 -7.453 0.469 1.00 0.00 C ATOM 723 C LEU A 50 5.718 -8.958 0.309 1.00 0.00 C ATOM 724 O LEU A 50 5.062 -9.595 -0.516 1.00 0.00 O ATOM 725 CB LEU A 50 4.179 -7.169 1.140 1.00 0.00 C ATOM 726 CG LEU A 50 4.192 -7.099 2.667 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.900 -5.838 3.138 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.773 -7.153 3.215 1.00 0.00 C ATOM 0 H LEU A 50 5.291 -7.346 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 50 6.326 -7.067 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.797 -6.223 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.474 -7.944 0.838 1.00 0.00 H new ATOM 0 HG LEU A 50 4.740 -7.961 3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.899 -5.806 4.228 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.928 -5.841 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.381 -4.962 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.801 -7.102 4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.201 -6.310 2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.299 -8.085 2.908 1.00 0.00 H new ATOM 740 N HIS A 51 6.622 -9.521 1.104 1.00 0.00 N ATOM 741 CA HIS A 51 6.901 -10.951 1.053 1.00 0.00 C ATOM 742 C HIS A 51 6.852 -11.463 -0.384 1.00 0.00 C ATOM 743 O HIS A 51 6.223 -12.481 -0.670 1.00 0.00 O ATOM 744 CB HIS A 51 5.897 -11.719 1.914 1.00 0.00 C ATOM 745 CG HIS A 51 4.537 -11.093 1.951 1.00 0.00 C ATOM 746 ND1 HIS A 51 3.568 -11.340 1.002 1.00 0.00 N ATOM 747 CD2 HIS A 51 3.986 -10.225 2.832 1.00 0.00 C ATOM 748 CE1 HIS A 51 2.480 -10.651 1.296 1.00 0.00 C ATOM 749 NE2 HIS A 51 2.707 -9.966 2.402 1.00 0.00 N ATOM 0 H HIS A 51 7.174 -9.008 1.792 1.00 0.00 H new ATOM 0 HA HIS A 51 7.905 -11.114 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.809 -12.737 1.534 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.283 -11.790 2.931 1.00 0.00 H new ATOM 0 HD1 HIS A 51 3.675 -11.959 0.198 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.463 -9.813 3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.561 -10.648 0.728 1.00 0.00 H new ATOM 758 N GLY A 52 7.521 -10.749 -1.284 1.00 0.00 N ATOM 759 CA GLY A 52 7.540 -11.146 -2.680 1.00 0.00 C ATOM 760 C GLY A 52 6.174 -11.046 -3.330 1.00 0.00 C ATOM 761 O GLY A 52 5.840 -11.837 -4.212 1.00 0.00 O ATOM 0 H GLY A 52 8.050 -9.903 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.245 -10.517 -3.224 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.902 -12.171 -2.758 1.00 0.00 H new ATOM 765 N ARG A 53 5.382 -10.072 -2.893 1.00 0.00 N ATOM 766 CA ARG A 53 4.044 -9.874 -3.436 1.00 0.00 C ATOM 767 C ARG A 53 4.106 -9.168 -4.788 1.00 0.00 C ATOM 768 O ARG A 53 3.716 -9.731 -5.810 1.00 0.00 O ATOM 769 CB ARG A 53 3.191 -9.059 -2.462 1.00 0.00 C ATOM 770 CG ARG A 53 2.424 -9.912 -1.465 1.00 0.00 C ATOM 771 CD ARG A 53 1.148 -10.471 -2.075 1.00 0.00 C ATOM 772 NE ARG A 53 1.398 -11.677 -2.859 1.00 0.00 N ATOM 773 CZ ARG A 53 0.541 -12.168 -3.747 1.00 0.00 C ATOM 774 NH1 ARG A 53 -0.617 -11.558 -3.962 1.00 0.00 N ATOM 775 NH2 ARG A 53 0.841 -13.270 -4.422 1.00 0.00 N ATOM 0 H ARG A 53 5.644 -9.408 -2.164 1.00 0.00 H new ATOM 0 HA ARG A 53 3.587 -10.853 -3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.835 -8.369 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.484 -8.454 -3.030 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.056 -10.733 -1.125 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.178 -9.315 -0.587 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.435 -10.696 -1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.689 -9.714 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 53 2.280 -12.170 -2.717 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.851 -10.710 -3.445 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.274 -11.937 -4.644 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.731 -13.741 -4.259 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.182 -13.646 -5.104 1.00 0.00 H new ATOM 789 N GLN A 54 4.597 -7.933 -4.783 1.00 0.00 N ATOM 790 CA GLN A 54 4.708 -7.151 -6.009 1.00 0.00 C ATOM 791 C GLN A 54 3.331 -6.873 -6.603 1.00 0.00 C ATOM 792 O GLN A 54 3.126 -7.005 -7.809 1.00 0.00 O ATOM 793 CB GLN A 54 5.579 -7.884 -7.030 1.00 0.00 C ATOM 794 CG GLN A 54 7.056 -7.539 -6.929 1.00 0.00 C ATOM 795 CD GLN A 54 7.782 -7.689 -8.252 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.709 -8.735 -8.897 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.488 -6.642 -8.662 1.00 0.00 N ATOM 0 H GLN A 54 4.924 -7.453 -3.945 1.00 0.00 H new ATOM 0 HA GLN A 54 5.176 -6.198 -5.761 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.455 -8.959 -6.896 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.227 -7.646 -8.034 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.162 -6.514 -6.575 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.526 -8.183 -6.186 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.520 -5.795 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.998 -6.685 -9.544 1.00 0.00 H new ATOM 806 N GLY A 55 2.389 -6.487 -5.748 1.00 0.00 N ATOM 807 CA GLY A 55 1.043 -6.197 -6.207 1.00 0.00 C ATOM 808 C GLY A 55 0.622 -4.773 -5.906 1.00 0.00 C ATOM 809 O GLY A 55 1.297 -4.062 -5.160 1.00 0.00 O ATOM 0 H GLY A 55 2.534 -6.370 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.984 -6.371 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.344 -6.887 -5.733 1.00 0.00 H new ATOM 813 N LEU A 56 -0.495 -4.352 -6.488 1.00 0.00 N ATOM 814 CA LEU A 56 -1.006 -3.002 -6.280 1.00 0.00 C ATOM 815 C LEU A 56 -1.778 -2.908 -4.968 1.00 0.00 C ATOM 816 O LEU A 56 -2.098 -3.923 -4.351 1.00 0.00 O ATOM 817 CB LEU A 56 -1.906 -2.589 -7.446 1.00 0.00 C ATOM 818 CG LEU A 56 -1.238 -2.523 -8.819 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.263 -2.732 -9.923 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.520 -1.194 -9.000 1.00 0.00 C ATOM 0 H LEU A 56 -1.065 -4.927 -7.109 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.155 -2.323 -6.229 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.738 -3.291 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.329 -1.610 -7.223 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.500 -3.323 -8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.768 -2.682 -10.893 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.731 -3.709 -9.805 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.025 -1.955 -9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.050 -1.165 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.238 -0.378 -8.917 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.244 -1.085 -8.230 1.00 0.00 H new ATOM 832 N ALA A 57 -2.077 -1.683 -4.549 1.00 0.00 N ATOM 833 CA ALA A 57 -2.815 -1.457 -3.313 1.00 0.00 C ATOM 834 C ALA A 57 -3.599 -0.150 -3.373 1.00 0.00 C ATOM 835 O ALA A 57 -3.139 0.853 -3.919 1.00 0.00 O ATOM 836 CB ALA A 57 -1.866 -1.451 -2.124 1.00 0.00 C ATOM 0 H ALA A 57 -1.819 -0.831 -5.048 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.527 -2.273 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.432 -1.281 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.355 -2.412 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.131 -0.656 -2.249 1.00 0.00 H new ATOM 842 N PRO A 58 -4.812 -0.159 -2.800 1.00 0.00 N ATOM 843 CA PRO A 58 -5.685 1.018 -2.776 1.00 0.00 C ATOM 844 C PRO A 58 -5.154 2.115 -1.860 1.00 0.00 C ATOM 845 O PRO A 58 -5.212 1.998 -0.637 1.00 0.00 O ATOM 846 CB PRO A 58 -7.008 0.467 -2.238 1.00 0.00 C ATOM 847 CG PRO A 58 -6.623 -0.732 -1.441 1.00 0.00 C ATOM 848 CD PRO A 58 -5.424 -1.320 -2.132 1.00 0.00 C ATOM 0 HA PRO A 58 -5.769 1.483 -3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.522 1.204 -1.621 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.686 0.202 -3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.386 -0.458 -0.413 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.441 -1.451 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.738 -1.783 -1.422 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.710 -2.091 -2.848 1.00 0.00 H new ATOM 856 N ALA A 59 -4.636 3.182 -2.461 1.00 0.00 N ATOM 857 CA ALA A 59 -4.097 4.301 -1.700 1.00 0.00 C ATOM 858 C ALA A 59 -5.115 4.820 -0.690 1.00 0.00 C ATOM 859 O ALA A 59 -4.758 5.492 0.276 1.00 0.00 O ATOM 860 CB ALA A 59 -3.665 5.419 -2.638 1.00 0.00 C ATOM 0 H ALA A 59 -4.579 3.294 -3.473 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.226 3.946 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.264 6.248 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.897 5.048 -3.317 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.524 5.762 -3.215 1.00 0.00 H new ATOM 866 N ASN A 60 -6.385 4.502 -0.921 1.00 0.00 N ATOM 867 CA ASN A 60 -7.456 4.938 -0.031 1.00 0.00 C ATOM 868 C ASN A 60 -7.365 4.228 1.316 1.00 0.00 C ATOM 869 O ASN A 60 -7.800 4.759 2.339 1.00 0.00 O ATOM 870 CB ASN A 60 -8.819 4.669 -0.671 1.00 0.00 C ATOM 871 CG ASN A 60 -9.083 5.564 -1.867 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.067 5.110 -3.011 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.327 6.843 -1.607 1.00 0.00 N ATOM 0 H ASN A 60 -6.698 3.945 -1.716 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.345 6.010 0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.871 3.626 -0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.602 4.819 0.072 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.511 7.493 -2.371 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.330 7.176 -0.643 1.00 0.00 H new ATOM 880 N ARG A 61 -6.798 3.027 1.309 1.00 0.00 N ATOM 881 CA ARG A 61 -6.651 2.244 2.531 1.00 0.00 C ATOM 882 C ARG A 61 -5.214 2.298 3.041 1.00 0.00 C ATOM 883 O ARG A 61 -4.846 1.577 3.970 1.00 0.00 O ATOM 884 CB ARG A 61 -7.061 0.791 2.283 1.00 0.00 C ATOM 885 CG ARG A 61 -8.491 0.637 1.791 1.00 0.00 C ATOM 886 CD ARG A 61 -9.067 -0.718 2.169 1.00 0.00 C ATOM 887 NE ARG A 61 -10.521 -0.676 2.304 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.239 -1.661 2.833 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.640 -2.758 3.275 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.558 -1.548 2.922 1.00 0.00 N ATOM 0 H ARG A 61 -6.433 2.574 0.471 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.304 2.674 3.290 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.384 0.351 1.550 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.941 0.226 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.110 1.428 2.215 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.519 0.756 0.708 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.794 -1.452 1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.625 -1.051 3.108 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.012 0.155 1.974 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.626 -2.847 3.209 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.193 -3.513 3.681 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.022 -0.705 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.108 -2.305 3.328 1.00 0.00 H new ATOM 904 N LEU A 62 -4.406 3.157 2.429 1.00 0.00 N ATOM 905 CA LEU A 62 -3.009 3.305 2.821 1.00 0.00 C ATOM 906 C LEU A 62 -2.797 4.596 3.606 1.00 0.00 C ATOM 907 O LEU A 62 -3.567 5.547 3.473 1.00 0.00 O ATOM 908 CB LEU A 62 -2.108 3.294 1.585 1.00 0.00 C ATOM 909 CG LEU A 62 -1.732 1.915 1.041 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.108 1.062 2.134 1.00 0.00 C ATOM 911 CD2 LEU A 62 -2.953 1.222 0.454 1.00 0.00 C ATOM 0 H LEU A 62 -4.694 3.761 1.660 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.747 2.464 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.606 3.852 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.190 3.831 1.824 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.997 2.047 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.847 0.085 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.209 1.551 2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.820 0.938 2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.667 0.242 0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.711 1.102 1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.358 1.825 -0.359 1.00 0.00 H new ATOM 923 N GLN A 63 -1.749 4.621 4.422 1.00 0.00 N ATOM 924 CA GLN A 63 -1.436 5.796 5.227 1.00 0.00 C ATOM 925 C GLN A 63 0.011 6.230 5.018 1.00 0.00 C ATOM 926 O GLN A 63 0.933 5.645 5.587 1.00 0.00 O ATOM 927 CB GLN A 63 -1.685 5.507 6.708 1.00 0.00 C ATOM 928 CG GLN A 63 -1.270 6.643 7.628 1.00 0.00 C ATOM 929 CD GLN A 63 -1.830 6.494 9.029 1.00 0.00 C ATOM 930 OE1 GLN A 63 -3.012 6.197 9.209 1.00 0.00 O ATOM 931 NE2 GLN A 63 -0.984 6.701 10.031 1.00 0.00 N ATOM 0 H GLN A 63 -1.102 3.842 4.543 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.089 6.608 4.908 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.745 5.300 6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.141 4.605 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.182 6.686 7.678 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.607 7.589 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -0.013 6.945 9.836 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -1.305 6.616 10.995 1.00 0.00 H new ATOM 940 N ILE A 64 0.203 7.257 4.197 1.00 0.00 N ATOM 941 CA ILE A 64 1.538 7.769 3.914 1.00 0.00 C ATOM 942 C ILE A 64 2.183 8.348 5.169 1.00 0.00 C ATOM 943 O ILE A 64 1.740 9.371 5.693 1.00 0.00 O ATOM 944 CB ILE A 64 1.505 8.853 2.821 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.792 8.329 1.573 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.917 9.305 2.480 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.450 7.109 0.968 1.00 0.00 C ATOM 0 H ILE A 64 -0.549 7.751 3.716 1.00 0.00 H new ATOM 0 HA ILE A 64 2.131 6.925 3.560 1.00 0.00 H new ATOM 0 HB ILE A 64 0.951 9.712 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.239 8.086 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.757 9.121 0.825 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.877 10.071 1.706 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.393 9.714 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.494 8.454 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.891 6.793 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.473 7.352 0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.461 6.301 1.700 1.00 0.00 H new ATOM 959 N LEU A 65 3.232 7.688 5.646 1.00 0.00 N ATOM 960 CA LEU A 65 3.941 8.137 6.839 1.00 0.00 C ATOM 961 C LEU A 65 5.016 9.159 6.482 1.00 0.00 C ATOM 962 O LEU A 65 6.200 8.946 6.742 1.00 0.00 O ATOM 963 CB LEU A 65 4.573 6.946 7.560 1.00 0.00 C ATOM 964 CG LEU A 65 3.602 5.894 8.098 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.357 4.657 8.560 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.770 6.469 9.235 1.00 0.00 C ATOM 0 H LEU A 65 3.611 6.840 5.225 1.00 0.00 H new ATOM 0 HA LEU A 65 3.219 8.613 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.264 6.456 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.166 7.324 8.393 1.00 0.00 H new ATOM 0 HG LEU A 65 2.928 5.603 7.292 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.650 3.920 8.940 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.908 4.233 7.721 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.055 4.931 9.351 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.085 5.707 9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.429 6.788 10.043 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.200 7.324 8.872 1.00 0.00 H new