USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 THR OG1 : rot 180:sc= -1.48! USER MOD Set 1.2: A 71 THR OG1 : rot 46:sc= 1.28 USER MOD Set 2.1: A 50 MET CE :methyl 169:sc= -0.402 (180deg=-0.559) USER MOD Set 2.2: A 54 SER OG : rot 170:sc= 0.00803 USER MOD Single : A 1 MET CE :methyl 159:sc= -0.195 (180deg=-1.31) USER MOD Single : A 1 MET N :NH3+ -144:sc= 0 (180deg=-0.0226) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 5 TYR OH : rot 99:sc= 1.09 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.558 F(o=-1.1,f=-0.56) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 12:sc= 0.319 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.015 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -112:sc= 1.22 (180deg=-0.261) USER MOD Single : A 23 SER OG : rot 70:sc= -1.14 USER MOD Single : A 24 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.0016) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.17 K(o=-2.2,f=-9.7!) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00606) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0844) USER MOD Single : A 64 ASN : amide:sc= -0.0458 X(o=-0.046,f=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.136 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.889 4.478 -15.166 1.00 0.00 N ATOM 2 CA MET A 1 2.132 3.378 -14.196 1.00 0.00 C ATOM 3 C MET A 1 3.357 3.664 -13.333 1.00 0.00 C ATOM 4 O MET A 1 4.487 3.384 -13.730 1.00 0.00 O ATOM 5 CB MET A 1 2.329 2.076 -14.975 1.00 0.00 C ATOM 6 CG MET A 1 1.033 1.469 -15.487 1.00 0.00 C ATOM 7 SD MET A 1 1.274 0.464 -16.964 1.00 0.00 S ATOM 8 CE MET A 1 -0.331 -0.317 -17.109 1.00 0.00 C ATOM 0 H1 MET A 1 0.865 4.614 -15.287 1.00 0.00 H new ATOM 0 H2 MET A 1 2.316 5.357 -14.809 1.00 0.00 H new ATOM 0 H3 MET A 1 2.316 4.234 -16.082 1.00 0.00 H new ATOM 0 HA MET A 1 1.273 3.293 -13.530 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.990 2.265 -15.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.831 1.351 -14.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.589 0.855 -14.703 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.324 2.267 -15.707 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.477 -0.660 -18.133 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.384 -1.168 -16.430 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.110 0.401 -16.852 1.00 0.00 H new ATOM 20 N ARG A 2 3.124 4.222 -12.150 1.00 0.00 N ATOM 21 CA ARG A 2 4.208 4.544 -11.230 1.00 0.00 C ATOM 22 C ARG A 2 4.193 3.610 -10.025 1.00 0.00 C ATOM 23 O ARG A 2 3.451 2.628 -9.999 1.00 0.00 O ATOM 24 CB ARG A 2 4.098 5.998 -10.766 1.00 0.00 C ATOM 25 CG ARG A 2 3.894 6.986 -11.903 1.00 0.00 C ATOM 26 CD ARG A 2 5.221 7.426 -12.502 1.00 0.00 C ATOM 27 NE ARG A 2 5.998 8.241 -11.571 1.00 0.00 N ATOM 28 CZ ARG A 2 7.013 9.019 -11.937 1.00 0.00 C ATOM 29 NH1 ARG A 2 7.376 9.093 -13.212 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.666 9.728 -11.026 1.00 0.00 N ATOM 0 H ARG A 2 2.194 4.461 -11.806 1.00 0.00 H new ATOM 0 HA ARG A 2 5.152 4.411 -11.759 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.267 6.085 -10.066 1.00 0.00 H new ATOM 0 HB3 ARG A 2 5.003 6.266 -10.221 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.277 6.529 -12.677 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.352 7.858 -11.536 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.800 6.547 -12.785 1.00 0.00 H new ATOM 0 HD3 ARG A 2 5.037 7.994 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 2 5.748 8.212 -10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 2 6.876 8.552 -13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 2 8.155 9.691 -13.487 1.00 0.00 H new ATOM 0 HH21 ARG A 2 7.390 9.676 -10.045 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.444 10.325 -11.306 1.00 0.00 H new ATOM 44 N ASN A 3 5.017 3.919 -9.029 1.00 0.00 N ATOM 45 CA ASN A 3 5.096 3.103 -7.823 1.00 0.00 C ATOM 46 C ASN A 3 4.760 3.927 -6.584 1.00 0.00 C ATOM 47 O ASN A 3 5.192 5.072 -6.451 1.00 0.00 O ATOM 48 CB ASN A 3 6.494 2.498 -7.683 1.00 0.00 C ATOM 49 CG ASN A 3 6.584 1.107 -8.281 1.00 0.00 C ATOM 50 OD1 ASN A 3 5.867 0.195 -7.870 1.00 0.00 O ATOM 51 ND2 ASN A 3 7.468 0.938 -9.256 1.00 0.00 N ATOM 0 H ASN A 3 5.639 4.728 -9.033 1.00 0.00 H new ATOM 0 HA ASN A 3 4.366 2.299 -7.911 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.219 3.148 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.765 2.455 -6.628 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.573 0.024 -9.696 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.042 1.722 -9.566 1.00 0.00 H new ATOM 58 N ILE A 4 3.985 3.335 -5.680 1.00 0.00 N ATOM 59 CA ILE A 4 3.590 4.011 -4.451 1.00 0.00 C ATOM 60 C ILE A 4 4.284 3.398 -3.240 1.00 0.00 C ATOM 61 O ILE A 4 4.452 2.182 -3.159 1.00 0.00 O ATOM 62 CB ILE A 4 2.064 3.948 -4.240 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.331 4.322 -5.529 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.647 4.868 -3.102 1.00 0.00 C ATOM 65 CD1 ILE A 4 -0.145 3.992 -5.502 1.00 0.00 C ATOM 0 H ILE A 4 3.618 2.388 -5.777 1.00 0.00 H new ATOM 0 HA ILE A 4 3.893 5.053 -4.552 1.00 0.00 H new ATOM 0 HB ILE A 4 1.793 2.926 -3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.453 5.390 -5.710 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.796 3.802 -6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.567 4.812 -2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.145 4.559 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.930 5.893 -3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.601 4.284 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.276 2.920 -5.352 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.624 4.533 -4.686 1.00 0.00 H new ATOM 77 N TYR A 5 4.688 4.247 -2.301 1.00 0.00 N ATOM 78 CA TYR A 5 5.365 3.789 -1.093 1.00 0.00 C ATOM 79 C TYR A 5 4.472 3.964 0.131 1.00 0.00 C ATOM 80 O TYR A 5 4.000 5.066 0.414 1.00 0.00 O ATOM 81 CB TYR A 5 6.676 4.553 -0.898 1.00 0.00 C ATOM 82 CG TYR A 5 7.571 3.965 0.171 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.205 4.006 1.511 1.00 0.00 C ATOM 84 CD2 TYR A 5 8.780 3.368 -0.161 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.021 3.469 2.490 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.601 2.829 0.811 1.00 0.00 C ATOM 87 CZ TYR A 5 9.216 2.882 2.134 1.00 0.00 C ATOM 88 OH TYR A 5 10.031 2.347 3.106 1.00 0.00 O ATOM 0 H TYR A 5 4.558 5.257 -2.353 1.00 0.00 H new ATOM 0 HA TYR A 5 5.585 2.728 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.219 4.572 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.448 5.587 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.268 4.464 1.792 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.084 3.324 -1.196 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.724 3.509 3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.539 2.369 0.536 1.00 0.00 H new ATOM 0 HH TYR A 5 9.896 1.377 3.148 1.00 0.00 H new ATOM 98 N VAL A 6 4.243 2.873 0.855 1.00 0.00 N ATOM 99 CA VAL A 6 3.405 2.910 2.049 1.00 0.00 C ATOM 100 C VAL A 6 4.111 2.262 3.236 1.00 0.00 C ATOM 101 O VAL A 6 4.748 1.218 3.099 1.00 0.00 O ATOM 102 CB VAL A 6 2.057 2.201 1.812 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.270 0.728 1.497 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.143 2.370 3.017 1.00 0.00 C ATOM 0 H VAL A 6 4.625 1.953 0.636 1.00 0.00 H new ATOM 0 HA VAL A 6 3.217 3.960 2.273 1.00 0.00 H new ATOM 0 HB VAL A 6 1.575 2.664 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.305 0.248 1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.880 0.633 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.778 0.247 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.197 1.862 2.830 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.618 1.938 3.898 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.958 3.431 3.188 1.00 0.00 H new ATOM 114 N GLY A 7 3.989 2.888 4.402 1.00 0.00 N ATOM 115 CA GLY A 7 4.617 2.358 5.599 1.00 0.00 C ATOM 116 C GLY A 7 3.604 1.909 6.634 1.00 0.00 C ATOM 117 O GLY A 7 2.404 1.867 6.360 1.00 0.00 O ATOM 0 H GLY A 7 3.466 3.753 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.254 1.516 5.329 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.264 3.120 6.034 1.00 0.00 H new ATOM 121 N ASN A 8 4.087 1.573 7.825 1.00 0.00 N ATOM 122 CA ASN A 8 3.214 1.125 8.904 1.00 0.00 C ATOM 123 C ASN A 8 2.426 -0.114 8.490 1.00 0.00 C ATOM 124 O ASN A 8 1.305 -0.331 8.949 1.00 0.00 O ATOM 125 CB ASN A 8 2.252 2.245 9.309 1.00 0.00 C ATOM 126 CG ASN A 8 1.588 1.983 10.646 1.00 0.00 C ATOM 127 OD1 ASN A 8 0.370 1.456 10.609 1.00 0.00 O flip ATOM 128 ND2 ASN A 8 2.164 2.250 11.701 1.00 0.00 N flip ATOM 0 H ASN A 8 5.077 1.602 8.068 1.00 0.00 H new ATOM 0 HA ASN A 8 3.839 0.866 9.758 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.796 3.188 9.356 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.486 2.357 8.542 1.00 0.00 H new ATOM 0 HD21 ASN A 8 3.100 2.654 11.683 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.705 2.067 12.593 1.00 0.00 H new ATOM 135 N LEU A 9 3.019 -0.922 7.618 1.00 0.00 N ATOM 136 CA LEU A 9 2.373 -2.139 7.139 1.00 0.00 C ATOM 137 C LEU A 9 2.640 -3.306 8.086 1.00 0.00 C ATOM 138 O LEU A 9 3.548 -3.249 8.917 1.00 0.00 O ATOM 139 CB LEU A 9 2.868 -2.483 5.732 1.00 0.00 C ATOM 140 CG LEU A 9 2.040 -1.887 4.590 1.00 0.00 C ATOM 141 CD1 LEU A 9 0.690 -2.580 4.493 1.00 0.00 C ATOM 142 CD2 LEU A 9 1.859 -0.390 4.785 1.00 0.00 C ATOM 0 H LEU A 9 3.947 -0.756 7.228 1.00 0.00 H new ATOM 0 HA LEU A 9 1.298 -1.962 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.898 -2.140 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.882 -3.567 5.623 1.00 0.00 H new ATOM 0 HG LEU A 9 2.578 -2.048 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.115 -2.144 3.676 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.839 -3.643 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 9 0.147 -2.451 5.429 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.268 0.015 3.963 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.344 -0.206 5.728 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.835 0.095 4.804 1.00 0.00 H new ATOM 154 N VAL A 10 1.845 -4.363 7.956 1.00 0.00 N ATOM 155 CA VAL A 10 1.995 -5.543 8.800 1.00 0.00 C ATOM 156 C VAL A 10 1.617 -6.812 8.034 1.00 0.00 C ATOM 157 O VAL A 10 1.119 -6.741 6.911 1.00 0.00 O ATOM 158 CB VAL A 10 1.138 -5.422 10.083 1.00 0.00 C ATOM 159 CG1 VAL A 10 -0.322 -5.745 9.805 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.690 -6.312 11.186 1.00 0.00 C ATOM 0 H VAL A 10 1.090 -4.427 7.274 1.00 0.00 H new ATOM 0 HA VAL A 10 3.043 -5.610 9.091 1.00 0.00 H new ATOM 0 HB VAL A 10 1.189 -4.387 10.422 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.897 -5.651 10.726 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.713 -5.051 9.061 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.404 -6.765 9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.072 -6.211 12.078 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.681 -7.350 10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.713 -6.013 11.417 1.00 0.00 H new ATOM 170 N TYR A 11 1.861 -7.970 8.646 1.00 0.00 N ATOM 171 CA TYR A 11 1.552 -9.258 8.024 1.00 0.00 C ATOM 172 C TYR A 11 0.190 -9.235 7.330 1.00 0.00 C ATOM 173 O TYR A 11 0.035 -9.765 6.230 1.00 0.00 O ATOM 174 CB TYR A 11 1.580 -10.371 9.074 1.00 0.00 C ATOM 175 CG TYR A 11 2.209 -11.656 8.583 1.00 0.00 C ATOM 176 CD1 TYR A 11 1.500 -12.533 7.772 1.00 0.00 C ATOM 177 CD2 TYR A 11 3.512 -11.992 8.931 1.00 0.00 C ATOM 178 CE1 TYR A 11 2.070 -13.709 7.323 1.00 0.00 C ATOM 179 CE2 TYR A 11 4.089 -13.166 8.486 1.00 0.00 C ATOM 180 CZ TYR A 11 3.364 -14.020 7.683 1.00 0.00 C ATOM 181 OH TYR A 11 3.936 -15.190 7.237 1.00 0.00 O ATOM 0 H TYR A 11 2.274 -8.043 9.576 1.00 0.00 H new ATOM 0 HA TYR A 11 2.313 -9.451 7.268 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.128 -10.020 9.948 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.560 -10.577 9.399 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.486 -12.292 7.488 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.083 -11.325 9.560 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.505 -14.381 6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.102 -13.413 8.766 1.00 0.00 H new ATOM 0 HH TYR A 11 4.852 -15.258 7.580 1.00 0.00 H new ATOM 191 N SER A 12 -0.792 -8.617 7.978 1.00 0.00 N ATOM 192 CA SER A 12 -2.136 -8.526 7.421 1.00 0.00 C ATOM 193 C SER A 12 -2.838 -7.256 7.894 1.00 0.00 C ATOM 194 O SER A 12 -3.818 -7.314 8.636 1.00 0.00 O ATOM 195 CB SER A 12 -2.957 -9.756 7.813 1.00 0.00 C ATOM 196 OG SER A 12 -2.583 -10.887 7.045 1.00 0.00 O ATOM 0 H SER A 12 -0.682 -8.172 8.889 1.00 0.00 H new ATOM 0 HA SER A 12 -2.051 -8.487 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.815 -9.969 8.872 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.018 -9.550 7.669 1.00 0.00 H new ATOM 0 HG SER A 12 -1.752 -10.694 6.562 1.00 0.00 H new ATOM 202 N ALA A 13 -2.323 -6.108 7.463 1.00 0.00 N ATOM 203 CA ALA A 13 -2.895 -4.823 7.846 1.00 0.00 C ATOM 204 C ALA A 13 -4.213 -4.565 7.123 1.00 0.00 C ATOM 205 O ALA A 13 -5.288 -4.710 7.704 1.00 0.00 O ATOM 206 CB ALA A 13 -1.907 -3.703 7.561 1.00 0.00 C ATOM 0 H ALA A 13 -1.511 -6.042 6.849 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.101 -4.851 8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.346 -2.748 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.993 -3.870 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.673 -3.686 6.497 1.00 0.00 H new ATOM 212 N THR A 14 -4.123 -4.179 5.854 1.00 0.00 N ATOM 213 CA THR A 14 -5.310 -3.896 5.054 1.00 0.00 C ATOM 214 C THR A 14 -4.946 -3.639 3.595 1.00 0.00 C ATOM 215 O THR A 14 -5.682 -4.020 2.687 1.00 0.00 O ATOM 216 CB THR A 14 -6.060 -2.689 5.623 1.00 0.00 C ATOM 217 OG1 THR A 14 -5.171 -1.817 6.300 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.161 -3.067 6.591 1.00 0.00 C ATOM 0 H THR A 14 -3.241 -4.055 5.358 1.00 0.00 H new ATOM 0 HA THR A 14 -5.956 -4.773 5.096 1.00 0.00 H new ATOM 0 HB THR A 14 -6.511 -2.199 4.760 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.670 -1.052 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.651 -2.164 6.956 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.892 -3.696 6.083 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.734 -3.613 7.432 1.00 0.00 H new ATOM 226 N SER A 15 -3.809 -2.984 3.376 1.00 0.00 N ATOM 227 CA SER A 15 -3.353 -2.673 2.023 1.00 0.00 C ATOM 228 C SER A 15 -3.388 -3.907 1.128 1.00 0.00 C ATOM 229 O SER A 15 -3.974 -3.883 0.046 1.00 0.00 O ATOM 230 CB SER A 15 -1.938 -2.094 2.058 1.00 0.00 C ATOM 231 OG SER A 15 -1.656 -1.359 0.880 1.00 0.00 O ATOM 0 H SER A 15 -3.187 -2.659 4.116 1.00 0.00 H new ATOM 0 HA SER A 15 -4.034 -1.931 1.606 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.828 -1.447 2.928 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.214 -2.902 2.168 1.00 0.00 H new ATOM 0 HG SER A 15 -0.746 -0.999 0.929 1.00 0.00 H new ATOM 237 N GLU A 16 -2.764 -4.984 1.588 1.00 0.00 N ATOM 238 CA GLU A 16 -2.732 -6.227 0.826 1.00 0.00 C ATOM 239 C GLU A 16 -4.129 -6.838 0.723 1.00 0.00 C ATOM 240 O GLU A 16 -4.367 -7.734 -0.088 1.00 0.00 O ATOM 241 CB GLU A 16 -1.769 -7.224 1.474 1.00 0.00 C ATOM 242 CG GLU A 16 -0.697 -7.738 0.526 1.00 0.00 C ATOM 243 CD GLU A 16 -0.082 -9.042 0.996 1.00 0.00 C ATOM 244 OE1 GLU A 16 0.186 -9.169 2.208 1.00 0.00 O ATOM 245 OE2 GLU A 16 0.130 -9.936 0.149 1.00 0.00 O ATOM 0 H GLU A 16 -2.275 -5.023 2.482 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.381 -5.999 -0.180 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.289 -6.749 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.339 -8.070 1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.130 -7.881 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.086 -6.986 0.426 1.00 0.00 H new ATOM 252 N GLN A 17 -5.050 -6.349 1.550 1.00 0.00 N ATOM 253 CA GLN A 17 -6.420 -6.846 1.552 1.00 0.00 C ATOM 254 C GLN A 17 -7.291 -6.049 0.586 1.00 0.00 C ATOM 255 O GLN A 17 -8.055 -6.620 -0.193 1.00 0.00 O ATOM 256 CB GLN A 17 -7.004 -6.775 2.966 1.00 0.00 C ATOM 257 CG GLN A 17 -8.447 -7.247 3.057 1.00 0.00 C ATOM 258 CD GLN A 17 -8.565 -8.757 3.086 1.00 0.00 C ATOM 259 OE1 GLN A 17 -8.571 -9.371 4.153 1.00 0.00 O ATOM 260 NE2 GLN A 17 -8.657 -9.367 1.909 1.00 0.00 N ATOM 0 H GLN A 17 -4.870 -5.608 2.228 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.406 -7.885 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.391 -7.380 3.634 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.944 -5.747 3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.905 -6.833 3.955 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.007 -6.859 2.206 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.648 -8.819 1.049 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.737 -10.383 1.866 1.00 0.00 H new ATOM 269 N VAL A 18 -7.174 -4.726 0.646 1.00 0.00 N ATOM 270 CA VAL A 18 -7.952 -3.846 -0.218 1.00 0.00 C ATOM 271 C VAL A 18 -7.465 -3.901 -1.666 1.00 0.00 C ATOM 272 O VAL A 18 -8.109 -3.358 -2.564 1.00 0.00 O ATOM 273 CB VAL A 18 -7.901 -2.388 0.278 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.475 -1.856 0.243 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.827 -1.507 -0.549 1.00 0.00 C ATOM 0 H VAL A 18 -6.546 -4.239 1.286 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.981 -4.203 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.245 -2.367 1.312 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.462 -0.825 0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.842 -2.468 0.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.098 -1.893 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.777 -0.482 -0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.518 -1.535 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.850 -1.873 -0.463 1.00 0.00 H new ATOM 285 N LYS A 19 -6.327 -4.556 -1.893 1.00 0.00 N ATOM 286 CA LYS A 19 -5.767 -4.671 -3.236 1.00 0.00 C ATOM 287 C LYS A 19 -6.797 -5.237 -4.211 1.00 0.00 C ATOM 288 O LYS A 19 -6.787 -4.911 -5.398 1.00 0.00 O ATOM 289 CB LYS A 19 -4.519 -5.556 -3.218 1.00 0.00 C ATOM 290 CG LYS A 19 -4.812 -7.022 -2.940 1.00 0.00 C ATOM 291 CD LYS A 19 -3.534 -7.842 -2.871 1.00 0.00 C ATOM 292 CE LYS A 19 -3.815 -9.327 -3.035 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.207 -9.964 -1.748 1.00 0.00 N ATOM 0 H LYS A 19 -5.777 -5.013 -1.166 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.489 -3.672 -3.573 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.011 -5.472 -4.179 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.831 -5.182 -2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.356 -7.114 -2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.459 -7.420 -3.722 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.847 -7.513 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.040 -7.668 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.611 -9.467 -3.766 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.928 -9.823 -3.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.460 -10.620 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.339 -9.230 -1.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.096 -10.487 -1.876 1.00 0.00 H new ATOM 307 N GLU A 20 -7.685 -6.083 -3.700 1.00 0.00 N ATOM 308 CA GLU A 20 -8.723 -6.691 -4.523 1.00 0.00 C ATOM 309 C GLU A 20 -9.755 -5.653 -4.948 1.00 0.00 C ATOM 310 O GLU A 20 -10.318 -5.731 -6.041 1.00 0.00 O ATOM 311 CB GLU A 20 -9.407 -7.826 -3.759 1.00 0.00 C ATOM 312 CG GLU A 20 -8.585 -9.104 -3.701 1.00 0.00 C ATOM 313 CD GLU A 20 -9.442 -10.340 -3.504 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.599 -10.340 -3.974 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.955 -11.306 -2.881 1.00 0.00 O ATOM 0 H GLU A 20 -7.706 -6.363 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.253 -7.097 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.618 -7.493 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.366 -8.042 -4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.013 -9.206 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.865 -9.032 -2.886 1.00 0.00 H new ATOM 322 N LEU A 21 -9.997 -4.678 -4.078 1.00 0.00 N ATOM 323 CA LEU A 21 -10.960 -3.621 -4.362 1.00 0.00 C ATOM 324 C LEU A 21 -10.285 -2.443 -5.058 1.00 0.00 C ATOM 325 O LEU A 21 -10.910 -1.733 -5.845 1.00 0.00 O ATOM 326 CB LEU A 21 -11.630 -3.151 -3.070 1.00 0.00 C ATOM 327 CG LEU A 21 -12.771 -2.148 -3.259 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.843 -2.354 -2.200 1.00 0.00 C ATOM 329 CD2 LEU A 21 -12.239 -0.723 -3.213 1.00 0.00 C ATOM 0 H LEU A 21 -9.539 -4.598 -3.170 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.721 -4.026 -5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.017 -4.022 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.872 -2.700 -2.429 1.00 0.00 H new ATOM 0 HG LEU A 21 -13.220 -2.316 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -14.646 -1.632 -2.350 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.244 -3.365 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -13.409 -2.213 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -13.063 -0.022 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -11.765 -0.543 -2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.508 -0.582 -4.009 1.00 0.00 H new ATOM 341 N PHE A 22 -9.005 -2.239 -4.761 1.00 0.00 N ATOM 342 CA PHE A 22 -8.245 -1.147 -5.357 1.00 0.00 C ATOM 343 C PHE A 22 -8.252 -1.243 -6.881 1.00 0.00 C ATOM 344 O PHE A 22 -8.105 -0.237 -7.576 1.00 0.00 O ATOM 345 CB PHE A 22 -6.805 -1.152 -4.836 1.00 0.00 C ATOM 346 CG PHE A 22 -6.395 0.143 -4.196 1.00 0.00 C ATOM 347 CD1 PHE A 22 -7.251 0.805 -3.329 1.00 0.00 C ATOM 348 CD2 PHE A 22 -5.154 0.699 -4.461 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.876 1.997 -2.740 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.774 1.890 -3.874 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.635 2.541 -3.012 1.00 0.00 C ATOM 0 H PHE A 22 -8.473 -2.817 -4.110 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.722 -0.209 -5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.692 -1.958 -4.111 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -6.129 -1.370 -5.663 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.222 0.384 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.476 0.195 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.552 2.504 -2.067 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.804 2.312 -4.089 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.339 3.472 -2.552 1.00 0.00 H new ATOM 361 N SER A 23 -8.421 -2.457 -7.393 1.00 0.00 N ATOM 362 CA SER A 23 -8.444 -2.681 -8.834 1.00 0.00 C ATOM 363 C SER A 23 -9.773 -2.239 -9.436 1.00 0.00 C ATOM 364 O SER A 23 -9.835 -1.821 -10.592 1.00 0.00 O ATOM 365 CB SER A 23 -8.197 -4.158 -9.145 1.00 0.00 C ATOM 366 OG SER A 23 -7.027 -4.628 -8.497 1.00 0.00 O ATOM 0 H SER A 23 -8.544 -3.300 -6.833 1.00 0.00 H new ATOM 0 HA SER A 23 -7.649 -2.083 -9.280 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.056 -4.749 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.100 -4.295 -10.222 1.00 0.00 H new ATOM 0 HG SER A 23 -7.186 -4.680 -7.531 1.00 0.00 H new ATOM 372 N GLN A 24 -10.835 -2.334 -8.644 1.00 0.00 N ATOM 373 CA GLN A 24 -12.165 -1.943 -9.099 1.00 0.00 C ATOM 374 C GLN A 24 -12.443 -0.470 -8.804 1.00 0.00 C ATOM 375 O GLN A 24 -13.480 0.063 -9.199 1.00 0.00 O ATOM 376 CB GLN A 24 -13.231 -2.816 -8.433 1.00 0.00 C ATOM 377 CG GLN A 24 -13.312 -4.221 -9.004 1.00 0.00 C ATOM 378 CD GLN A 24 -14.557 -4.961 -8.557 1.00 0.00 C ATOM 379 OE1 GLN A 24 -14.476 -6.043 -7.975 1.00 0.00 O ATOM 380 NE2 GLN A 24 -15.720 -4.380 -8.829 1.00 0.00 N ATOM 0 H GLN A 24 -10.802 -2.678 -7.684 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.203 -2.087 -10.179 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.022 -2.879 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.202 -2.333 -8.540 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.296 -4.168 -10.093 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.430 -4.784 -8.699 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -15.741 -3.483 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -16.592 -4.831 -8.553 1.00 0.00 H new ATOM 389 N PHE A 25 -11.517 0.185 -8.107 1.00 0.00 N ATOM 390 CA PHE A 25 -11.677 1.593 -7.765 1.00 0.00 C ATOM 391 C PHE A 25 -10.598 2.446 -8.428 1.00 0.00 C ATOM 392 O PHE A 25 -10.858 3.572 -8.849 1.00 0.00 O ATOM 393 CB PHE A 25 -11.628 1.778 -6.248 1.00 0.00 C ATOM 394 CG PHE A 25 -12.038 3.152 -5.796 1.00 0.00 C ATOM 395 CD1 PHE A 25 -13.273 3.671 -6.148 1.00 0.00 C ATOM 396 CD2 PHE A 25 -11.185 3.923 -5.022 1.00 0.00 C ATOM 397 CE1 PHE A 25 -13.652 4.934 -5.733 1.00 0.00 C ATOM 398 CE2 PHE A 25 -11.559 5.187 -4.605 1.00 0.00 C ATOM 399 CZ PHE A 25 -12.794 5.692 -4.961 1.00 0.00 C ATOM 0 H PHE A 25 -10.652 -0.237 -7.770 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.648 1.921 -8.135 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.280 1.041 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.615 1.577 -5.898 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.947 3.083 -6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.218 3.532 -4.742 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -14.618 5.327 -6.012 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.886 5.779 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 25 -13.089 6.679 -4.636 1.00 0.00 H new ATOM 409 N GLY A 26 -9.386 1.905 -8.512 1.00 0.00 N ATOM 410 CA GLY A 26 -8.293 2.642 -9.121 1.00 0.00 C ATOM 411 C GLY A 26 -7.478 1.811 -10.099 1.00 0.00 C ATOM 412 O GLY A 26 -6.524 2.312 -10.693 1.00 0.00 O ATOM 0 H GLY A 26 -9.142 0.975 -8.171 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.696 3.511 -9.641 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -7.635 3.016 -8.337 1.00 0.00 H new ATOM 416 N LYS A 27 -7.850 0.545 -10.272 1.00 0.00 N ATOM 417 CA LYS A 27 -7.139 -0.340 -11.188 1.00 0.00 C ATOM 418 C LYS A 27 -5.654 -0.412 -10.840 1.00 0.00 C ATOM 419 O LYS A 27 -4.892 0.511 -11.130 1.00 0.00 O ATOM 420 CB LYS A 27 -7.315 0.140 -12.629 1.00 0.00 C ATOM 421 CG LYS A 27 -8.759 0.442 -12.998 1.00 0.00 C ATOM 422 CD LYS A 27 -9.385 -0.702 -13.778 1.00 0.00 C ATOM 423 CE LYS A 27 -10.854 -0.881 -13.424 1.00 0.00 C ATOM 424 NZ LYS A 27 -11.407 -2.149 -13.975 1.00 0.00 N ATOM 0 H LYS A 27 -8.638 0.111 -9.791 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.562 -1.340 -11.089 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.715 1.037 -12.780 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.927 -0.621 -13.306 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.337 0.625 -12.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.801 1.355 -13.592 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.288 -0.511 -14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.844 -1.625 -13.569 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.970 -0.875 -12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.426 -0.037 -13.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.410 -2.234 -13.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.320 -2.144 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.878 -2.956 -13.587 1.00 0.00 H new ATOM 438 N VAL A 28 -5.251 -1.514 -10.217 1.00 0.00 N ATOM 439 CA VAL A 28 -3.859 -1.708 -9.828 1.00 0.00 C ATOM 440 C VAL A 28 -3.255 -2.911 -10.554 1.00 0.00 C ATOM 441 O VAL A 28 -3.972 -3.676 -11.198 1.00 0.00 O ATOM 442 CB VAL A 28 -3.732 -1.893 -8.301 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.217 -3.272 -7.873 1.00 0.00 C ATOM 444 CG2 VAL A 28 -2.300 -1.656 -7.853 1.00 0.00 C ATOM 0 H VAL A 28 -5.869 -2.287 -9.970 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.307 -0.813 -10.115 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.369 -1.154 -7.815 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.116 -3.374 -6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.264 -3.393 -8.152 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.619 -4.038 -8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.229 -1.791 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.641 -2.367 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.001 -0.640 -8.112 1.00 0.00 H new ATOM 454 N PHE A 29 -1.936 -3.067 -10.465 1.00 0.00 N ATOM 455 CA PHE A 29 -1.261 -4.174 -11.136 1.00 0.00 C ATOM 456 C PHE A 29 -0.328 -4.941 -10.199 1.00 0.00 C ATOM 457 O PHE A 29 -0.234 -6.165 -10.278 1.00 0.00 O ATOM 458 CB PHE A 29 -0.466 -3.653 -12.336 1.00 0.00 C ATOM 459 CG PHE A 29 -1.210 -2.640 -13.158 1.00 0.00 C ATOM 460 CD1 PHE A 29 -2.044 -3.042 -14.189 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.077 -1.285 -12.899 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.730 -2.112 -14.947 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.760 -0.350 -13.654 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.587 -0.764 -14.679 1.00 0.00 C ATOM 0 H PHE A 29 -1.319 -2.447 -9.940 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.034 -4.866 -11.471 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.463 -3.208 -11.980 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.192 -4.494 -12.973 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.159 -4.094 -14.403 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.432 -0.956 -12.098 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.377 -2.438 -15.748 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.647 0.703 -13.442 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.121 -0.035 -15.271 1.00 0.00 H new ATOM 474 N ASN A 30 0.380 -4.222 -9.332 1.00 0.00 N ATOM 475 CA ASN A 30 1.320 -4.861 -8.412 1.00 0.00 C ATOM 476 C ASN A 30 0.709 -5.084 -7.023 1.00 0.00 C ATOM 477 O ASN A 30 0.027 -6.084 -6.798 1.00 0.00 O ATOM 478 CB ASN A 30 2.609 -4.036 -8.320 1.00 0.00 C ATOM 479 CG ASN A 30 3.649 -4.678 -7.422 1.00 0.00 C ATOM 480 OD1 ASN A 30 3.352 -5.083 -6.298 1.00 0.00 O ATOM 481 ND2 ASN A 30 4.878 -4.773 -7.915 1.00 0.00 N ATOM 0 H ASN A 30 0.323 -3.207 -9.246 1.00 0.00 H new ATOM 0 HA ASN A 30 1.558 -5.847 -8.812 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.026 -3.908 -9.319 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.373 -3.041 -7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.620 -5.195 -7.357 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.080 -4.424 -8.852 1.00 0.00 H new ATOM 488 N VAL A 31 0.965 -4.166 -6.090 1.00 0.00 N ATOM 489 CA VAL A 31 0.448 -4.292 -4.730 1.00 0.00 C ATOM 490 C VAL A 31 1.081 -5.481 -4.016 1.00 0.00 C ATOM 491 O VAL A 31 0.555 -6.594 -4.059 1.00 0.00 O ATOM 492 CB VAL A 31 -1.084 -4.452 -4.711 1.00 0.00 C ATOM 493 CG1 VAL A 31 -1.604 -4.491 -3.281 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.746 -3.332 -5.495 1.00 0.00 C ATOM 0 H VAL A 31 1.526 -3.330 -6.252 1.00 0.00 H new ATOM 0 HA VAL A 31 0.708 -3.370 -4.209 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.336 -5.399 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.688 -4.604 -3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.156 -5.333 -2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.341 -3.563 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.828 -3.461 -5.471 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.485 -2.372 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.401 -3.358 -6.528 1.00 0.00 H new ATOM 504 N LYS A 32 2.212 -5.240 -3.360 1.00 0.00 N ATOM 505 CA LYS A 32 2.915 -6.295 -2.638 1.00 0.00 C ATOM 506 C LYS A 32 3.839 -5.706 -1.575 1.00 0.00 C ATOM 507 O LYS A 32 4.326 -4.584 -1.715 1.00 0.00 O ATOM 508 CB LYS A 32 3.720 -7.158 -3.612 1.00 0.00 C ATOM 509 CG LYS A 32 3.595 -8.650 -3.349 1.00 0.00 C ATOM 510 CD LYS A 32 4.399 -9.465 -4.351 1.00 0.00 C ATOM 511 CE LYS A 32 3.493 -10.242 -5.292 1.00 0.00 C ATOM 512 NZ LYS A 32 2.679 -9.339 -6.151 1.00 0.00 N ATOM 0 H LYS A 32 2.661 -4.325 -3.313 1.00 0.00 H new ATOM 0 HA LYS A 32 2.172 -6.918 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.389 -6.948 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.771 -6.874 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.939 -8.872 -2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.546 -8.942 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.042 -8.801 -4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.052 -10.157 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.098 -10.894 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.831 -10.884 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.113 -9.907 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.046 -8.769 -5.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.309 -8.709 -6.687 1.00 0.00 H new ATOM 526 N LEU A 33 4.076 -6.472 -0.514 1.00 0.00 N ATOM 527 CA LEU A 33 4.940 -6.027 0.573 1.00 0.00 C ATOM 528 C LEU A 33 6.322 -6.664 0.464 1.00 0.00 C ATOM 529 O LEU A 33 6.474 -7.748 -0.099 1.00 0.00 O ATOM 530 CB LEU A 33 4.313 -6.372 1.924 1.00 0.00 C ATOM 531 CG LEU A 33 2.914 -5.799 2.154 1.00 0.00 C ATOM 532 CD1 LEU A 33 2.141 -6.660 3.142 1.00 0.00 C ATOM 533 CD2 LEU A 33 3.002 -4.364 2.652 1.00 0.00 C ATOM 0 H LEU A 33 3.682 -7.404 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 33 5.050 -4.945 0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.265 -7.457 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.971 -6.012 2.715 1.00 0.00 H new ATOM 0 HG LEU A 33 2.380 -5.802 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.148 -6.237 3.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.048 -7.672 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.672 -6.688 4.093 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.997 -3.972 2.810 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.554 -4.338 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.518 -3.753 1.911 1.00 0.00 H new ATOM 545 N ILE A 34 7.327 -5.983 1.005 1.00 0.00 N ATOM 546 CA ILE A 34 8.696 -6.485 0.967 1.00 0.00 C ATOM 547 C ILE A 34 8.967 -7.431 2.133 1.00 0.00 C ATOM 548 O ILE A 34 8.083 -7.696 2.948 1.00 0.00 O ATOM 549 CB ILE A 34 9.721 -5.335 1.004 1.00 0.00 C ATOM 550 CG1 ILE A 34 9.585 -4.532 2.300 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.547 -4.430 -0.206 1.00 0.00 C ATOM 552 CD1 ILE A 34 10.486 -5.024 3.411 1.00 0.00 C ATOM 0 H ILE A 34 7.220 -5.084 1.474 1.00 0.00 H new ATOM 0 HA ILE A 34 8.806 -7.027 0.028 1.00 0.00 H new ATOM 0 HB ILE A 34 10.722 -5.765 0.973 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.812 -3.486 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.549 -4.574 2.637 1.00 0.00 H new ATOM 0 HG21 ILE A 34 10.278 -3.623 -0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.696 -5.009 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.542 -4.009 -0.204 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.337 -4.410 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.244 -6.061 3.643 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.526 -4.956 3.093 1.00 0.00 H new ATOM 564 N TYR A 35 10.193 -7.939 2.204 1.00 0.00 N ATOM 565 CA TYR A 35 10.580 -8.855 3.271 1.00 0.00 C ATOM 566 C TYR A 35 11.973 -8.521 3.795 1.00 0.00 C ATOM 567 O TYR A 35 12.557 -7.502 3.429 1.00 0.00 O ATOM 568 CB TYR A 35 10.540 -10.299 2.768 1.00 0.00 C ATOM 569 CG TYR A 35 9.288 -10.637 1.990 1.00 0.00 C ATOM 570 CD1 TYR A 35 8.137 -11.064 2.639 1.00 0.00 C ATOM 571 CD2 TYR A 35 9.257 -10.526 0.606 1.00 0.00 C ATOM 572 CE1 TYR A 35 6.991 -11.374 1.931 1.00 0.00 C ATOM 573 CE2 TYR A 35 8.116 -10.832 -0.110 1.00 0.00 C ATOM 574 CZ TYR A 35 6.985 -11.256 0.557 1.00 0.00 C ATOM 575 OH TYR A 35 5.847 -11.562 -0.151 1.00 0.00 O ATOM 0 H TYR A 35 10.935 -7.732 1.536 1.00 0.00 H new ATOM 0 HA TYR A 35 9.870 -8.744 4.090 1.00 0.00 H new ATOM 0 HB2 TYR A 35 11.410 -10.478 2.136 1.00 0.00 H new ATOM 0 HB3 TYR A 35 10.621 -10.974 3.620 1.00 0.00 H new ATOM 0 HD1 TYR A 35 8.137 -11.155 3.715 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.140 -10.195 0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.105 -11.707 2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.109 -10.740 -1.186 1.00 0.00 H new ATOM 0 HH TYR A 35 6.010 -11.425 -1.108 1.00 0.00 H new ATOM 585 N ASP A 36 12.497 -9.386 4.657 1.00 0.00 N ATOM 586 CA ASP A 36 13.822 -9.183 5.234 1.00 0.00 C ATOM 587 C ASP A 36 14.895 -9.867 4.392 1.00 0.00 C ATOM 588 O ASP A 36 14.605 -10.420 3.331 1.00 0.00 O ATOM 589 CB ASP A 36 13.865 -9.717 6.667 1.00 0.00 C ATOM 590 CG ASP A 36 14.713 -8.855 7.581 1.00 0.00 C ATOM 591 OD1 ASP A 36 14.875 -7.653 7.283 1.00 0.00 O ATOM 592 OD2 ASP A 36 15.217 -9.382 8.596 1.00 0.00 O ATOM 0 H ASP A 36 12.025 -10.234 4.972 1.00 0.00 H new ATOM 0 HA ASP A 36 14.024 -8.112 5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.851 -9.771 7.062 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.260 -10.733 6.661 1.00 0.00 H new ATOM 597 N ARG A 37 16.133 -9.825 4.873 1.00 0.00 N ATOM 598 CA ARG A 37 17.250 -10.441 4.166 1.00 0.00 C ATOM 599 C ARG A 37 17.804 -11.625 4.953 1.00 0.00 C ATOM 600 O ARG A 37 19.000 -11.915 4.899 1.00 0.00 O ATOM 601 CB ARG A 37 18.355 -9.410 3.918 1.00 0.00 C ATOM 602 CG ARG A 37 18.663 -9.193 2.445 1.00 0.00 C ATOM 603 CD ARG A 37 19.989 -9.824 2.051 1.00 0.00 C ATOM 604 NE ARG A 37 20.374 -9.479 0.685 1.00 0.00 N ATOM 605 CZ ARG A 37 21.605 -9.631 0.200 1.00 0.00 C ATOM 606 NH1 ARG A 37 22.571 -10.122 0.965 1.00 0.00 N ATOM 607 NH2 ARG A 37 21.869 -9.290 -1.054 1.00 0.00 N ATOM 0 H ARG A 37 16.388 -9.371 5.750 1.00 0.00 H new ATOM 0 HA ARG A 37 16.885 -10.807 3.206 1.00 0.00 H new ATOM 0 HB2 ARG A 37 18.061 -8.460 4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 37 19.263 -9.733 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.863 -9.618 1.839 1.00 0.00 H new ATOM 0 HG3 ARG A 37 18.691 -8.124 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 37 20.766 -9.495 2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.917 -10.908 2.145 1.00 0.00 H new ATOM 0 HE ARG A 37 19.658 -9.099 0.066 1.00 0.00 H new ATOM 0 HH11 ARG A 37 22.373 -10.385 1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 37 23.512 -10.236 0.588 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.130 -8.912 -1.646 1.00 0.00 H new ATOM 0 HH22 ARG A 37 22.811 -9.406 -1.426 1.00 0.00 H new ATOM 621 N GLU A 38 16.927 -12.304 5.685 1.00 0.00 N ATOM 622 CA GLU A 38 17.327 -13.456 6.486 1.00 0.00 C ATOM 623 C GLU A 38 16.123 -14.327 6.824 1.00 0.00 C ATOM 624 O GLU A 38 16.075 -15.506 6.468 1.00 0.00 O ATOM 625 CB GLU A 38 18.014 -12.995 7.772 1.00 0.00 C ATOM 626 CG GLU A 38 19.162 -13.893 8.204 1.00 0.00 C ATOM 627 CD GLU A 38 19.701 -13.531 9.574 1.00 0.00 C ATOM 628 OE1 GLU A 38 18.901 -13.483 10.533 1.00 0.00 O ATOM 629 OE2 GLU A 38 20.922 -13.296 9.689 1.00 0.00 O ATOM 0 H GLU A 38 15.934 -12.077 5.740 1.00 0.00 H new ATOM 0 HA GLU A 38 18.029 -14.049 5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.390 -11.982 7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.276 -12.952 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 38 18.824 -14.929 8.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 19.967 -13.826 7.472 1.00 0.00 H new ATOM 636 N THR A 39 15.149 -13.739 7.511 1.00 0.00 N ATOM 637 CA THR A 39 13.941 -14.460 7.897 1.00 0.00 C ATOM 638 C THR A 39 12.840 -14.292 6.852 1.00 0.00 C ATOM 639 O THR A 39 11.874 -15.054 6.830 1.00 0.00 O ATOM 640 CB THR A 39 13.447 -13.971 9.259 1.00 0.00 C ATOM 641 OG1 THR A 39 13.673 -12.581 9.405 1.00 0.00 O ATOM 642 CG2 THR A 39 14.115 -14.670 10.424 1.00 0.00 C ATOM 0 H THR A 39 15.173 -12.765 7.812 1.00 0.00 H new ATOM 0 HA THR A 39 14.189 -15.519 7.964 1.00 0.00 H new ATOM 0 HB THR A 39 12.382 -14.202 9.280 1.00 0.00 H new ATOM 0 HG1 THR A 39 13.349 -12.287 10.282 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.719 -14.276 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.917 -15.740 10.368 1.00 0.00 H new ATOM 0 HG23 THR A 39 15.190 -14.497 10.384 1.00 0.00 H new ATOM 650 N LYS A 40 12.990 -13.290 5.987 1.00 0.00 N ATOM 651 CA LYS A 40 12.006 -13.027 4.942 1.00 0.00 C ATOM 652 C LYS A 40 10.683 -12.562 5.545 1.00 0.00 C ATOM 653 O LYS A 40 9.614 -12.803 4.984 1.00 0.00 O ATOM 654 CB LYS A 40 11.785 -14.280 4.089 1.00 0.00 C ATOM 655 CG LYS A 40 12.318 -14.152 2.671 1.00 0.00 C ATOM 656 CD LYS A 40 13.823 -14.357 2.623 1.00 0.00 C ATOM 657 CE LYS A 40 14.343 -14.336 1.193 1.00 0.00 C ATOM 658 NZ LYS A 40 15.770 -13.917 1.127 1.00 0.00 N ATOM 0 H LYS A 40 13.783 -12.649 5.990 1.00 0.00 H new ATOM 0 HA LYS A 40 12.392 -12.231 4.306 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.266 -15.129 4.574 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.718 -14.499 4.049 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.829 -14.885 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.071 -13.167 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.316 -13.576 3.202 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.077 -15.309 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.235 -15.327 0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.737 -13.655 0.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.086 -13.916 0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.870 -12.961 1.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.353 -14.582 1.675 1.00 0.00 H new ATOM 672 N LYS A 41 10.765 -11.894 6.690 1.00 0.00 N ATOM 673 CA LYS A 41 9.575 -11.396 7.371 1.00 0.00 C ATOM 674 C LYS A 41 9.263 -9.963 6.940 1.00 0.00 C ATOM 675 O LYS A 41 10.166 -9.136 6.812 1.00 0.00 O ATOM 676 CB LYS A 41 9.769 -11.453 8.887 1.00 0.00 C ATOM 677 CG LYS A 41 10.893 -10.561 9.389 1.00 0.00 C ATOM 678 CD LYS A 41 11.054 -10.662 10.897 1.00 0.00 C ATOM 679 CE LYS A 41 12.361 -10.039 11.360 1.00 0.00 C ATOM 680 NZ LYS A 41 12.845 -10.643 12.633 1.00 0.00 N ATOM 0 H LYS A 41 11.642 -11.685 7.166 1.00 0.00 H new ATOM 0 HA LYS A 41 8.734 -12.032 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.839 -11.162 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.974 -12.482 9.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.827 -10.843 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.689 -9.527 9.112 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.218 -10.163 11.388 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.022 -11.709 11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 41 13.118 -10.167 10.587 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.223 -8.966 11.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.738 -10.191 12.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.134 -10.499 13.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.001 -11.662 12.496 1.00 0.00 H new ATOM 694 N PRO A 42 7.975 -9.646 6.711 1.00 0.00 N ATOM 695 CA PRO A 42 7.557 -8.302 6.296 1.00 0.00 C ATOM 696 C PRO A 42 8.076 -7.219 7.235 1.00 0.00 C ATOM 697 O PRO A 42 7.708 -7.175 8.410 1.00 0.00 O ATOM 698 CB PRO A 42 6.029 -8.369 6.350 1.00 0.00 C ATOM 699 CG PRO A 42 5.705 -9.813 6.184 1.00 0.00 C ATOM 700 CD PRO A 42 6.830 -10.566 6.839 1.00 0.00 C ATOM 0 HA PRO A 42 7.949 -8.040 5.313 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.650 -7.985 7.297 1.00 0.00 H new ATOM 0 HB3 PRO A 42 5.579 -7.769 5.559 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.750 -10.055 6.650 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.621 -10.076 5.129 1.00 0.00 H new ATOM 0 HD2 PRO A 42 6.609 -10.791 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.021 -11.517 6.342 1.00 0.00 H new ATOM 708 N LYS A 43 8.931 -6.347 6.711 1.00 0.00 N ATOM 709 CA LYS A 43 9.498 -5.262 7.504 1.00 0.00 C ATOM 710 C LYS A 43 8.400 -4.357 8.051 1.00 0.00 C ATOM 711 O LYS A 43 8.077 -4.405 9.238 1.00 0.00 O ATOM 712 CB LYS A 43 10.477 -4.444 6.659 1.00 0.00 C ATOM 713 CG LYS A 43 11.783 -5.167 6.368 1.00 0.00 C ATOM 714 CD LYS A 43 12.747 -5.073 7.540 1.00 0.00 C ATOM 715 CE LYS A 43 13.749 -3.946 7.348 1.00 0.00 C ATOM 716 NZ LYS A 43 14.824 -3.976 8.379 1.00 0.00 N ATOM 0 H LYS A 43 9.246 -6.370 5.741 1.00 0.00 H new ATOM 0 HA LYS A 43 10.034 -5.701 8.346 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.998 -4.182 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.696 -3.509 7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.578 -6.215 6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.247 -4.739 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.187 -4.910 8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.278 -6.018 7.652 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.195 -4.022 6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.231 -2.988 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.486 -3.192 8.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.401 -3.878 9.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.336 -4.879 8.321 1.00 0.00 H new ATOM 730 N GLY A 44 7.828 -3.534 7.178 1.00 0.00 N ATOM 731 CA GLY A 44 6.771 -2.631 7.595 1.00 0.00 C ATOM 732 C GLY A 44 6.410 -1.622 6.521 1.00 0.00 C ATOM 733 O GLY A 44 6.153 -0.456 6.818 1.00 0.00 O ATOM 0 H GLY A 44 8.077 -3.476 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.885 -3.210 7.857 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.084 -2.102 8.495 1.00 0.00 H new ATOM 737 N PHE A 45 6.388 -2.072 5.271 1.00 0.00 N ATOM 738 CA PHE A 45 6.053 -1.199 4.152 1.00 0.00 C ATOM 739 C PHE A 45 5.910 -1.999 2.860 1.00 0.00 C ATOM 740 O PHE A 45 6.614 -2.985 2.646 1.00 0.00 O ATOM 741 CB PHE A 45 7.121 -0.117 3.983 1.00 0.00 C ATOM 742 CG PHE A 45 8.502 -0.662 3.753 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.211 -1.252 4.787 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.093 -0.582 2.501 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.483 -1.753 4.578 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.364 -1.080 2.286 1.00 0.00 C ATOM 747 CZ PHE A 45 11.059 -1.666 3.326 1.00 0.00 C ATOM 0 H PHE A 45 6.598 -3.035 5.008 1.00 0.00 H new ATOM 0 HA PHE A 45 5.097 -0.723 4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.848 0.523 3.144 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.132 0.512 4.873 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.765 -1.321 5.768 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.554 -0.125 1.684 1.00 0.00 H new ATOM 0 HE1 PHE A 45 11.025 -2.211 5.392 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.813 -1.011 1.306 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.052 -2.056 3.160 1.00 0.00 H new ATOM 757 N GLY A 46 4.990 -1.565 2.002 1.00 0.00 N ATOM 758 CA GLY A 46 4.768 -2.250 0.742 1.00 0.00 C ATOM 759 C GLY A 46 4.867 -1.320 -0.450 1.00 0.00 C ATOM 760 O GLY A 46 5.358 -0.197 -0.330 1.00 0.00 O ATOM 0 H GLY A 46 4.395 -0.751 2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.498 -3.052 0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.783 -2.716 0.754 1.00 0.00 H new ATOM 764 N PHE A 47 4.402 -1.787 -1.604 1.00 0.00 N ATOM 765 CA PHE A 47 4.443 -0.985 -2.823 1.00 0.00 C ATOM 766 C PHE A 47 3.231 -1.264 -3.707 1.00 0.00 C ATOM 767 O PHE A 47 2.921 -2.417 -4.009 1.00 0.00 O ATOM 768 CB PHE A 47 5.732 -1.271 -3.599 1.00 0.00 C ATOM 769 CG PHE A 47 6.784 -0.214 -3.423 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.476 -0.099 -2.227 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.082 0.665 -4.452 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.445 0.872 -2.062 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.050 1.637 -4.293 1.00 0.00 C ATOM 774 CZ PHE A 47 8.733 1.741 -3.097 1.00 0.00 C ATOM 0 H PHE A 47 3.993 -2.714 -1.721 1.00 0.00 H new ATOM 0 HA PHE A 47 4.421 0.066 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.135 -2.231 -3.277 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.496 -1.364 -4.659 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.255 -0.776 -1.415 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.551 0.589 -5.389 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.977 0.952 -1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.273 2.315 -5.103 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.491 2.500 -2.971 1.00 0.00 H new ATOM 784 N VAL A 48 2.551 -0.199 -4.120 1.00 0.00 N ATOM 785 CA VAL A 48 1.376 -0.323 -4.975 1.00 0.00 C ATOM 786 C VAL A 48 1.632 0.300 -6.344 1.00 0.00 C ATOM 787 O VAL A 48 1.848 1.507 -6.458 1.00 0.00 O ATOM 788 CB VAL A 48 0.141 0.345 -4.335 1.00 0.00 C ATOM 789 CG1 VAL A 48 -1.090 0.160 -5.212 1.00 0.00 C ATOM 790 CG2 VAL A 48 -0.103 -0.209 -2.939 1.00 0.00 C ATOM 0 H VAL A 48 2.794 0.761 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 48 1.177 -1.388 -5.094 1.00 0.00 H new ATOM 0 HB VAL A 48 0.337 1.414 -4.250 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.948 0.639 -4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.913 0.612 -6.188 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.292 -0.904 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.978 0.274 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.274 -1.284 -2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.768 -0.015 -2.313 1.00 0.00 H new ATOM 800 N GLU A 49 1.608 -0.533 -7.380 1.00 0.00 N ATOM 801 CA GLU A 49 1.838 -0.067 -8.742 1.00 0.00 C ATOM 802 C GLU A 49 0.539 0.404 -9.383 1.00 0.00 C ATOM 803 O GLU A 49 -0.218 -0.395 -9.935 1.00 0.00 O ATOM 804 CB GLU A 49 2.463 -1.179 -9.586 1.00 0.00 C ATOM 805 CG GLU A 49 2.953 -0.710 -10.946 1.00 0.00 C ATOM 806 CD GLU A 49 3.879 -1.710 -11.608 1.00 0.00 C ATOM 807 OE1 GLU A 49 5.084 -1.713 -11.279 1.00 0.00 O ATOM 808 OE2 GLU A 49 3.399 -2.491 -12.457 1.00 0.00 O ATOM 0 H GLU A 49 1.431 -1.535 -7.301 1.00 0.00 H new ATOM 0 HA GLU A 49 2.527 0.777 -8.698 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.299 -1.613 -9.038 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.729 -1.972 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.096 -0.529 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.473 0.241 -10.833 1.00 0.00 H new ATOM 815 N MET A 50 0.285 1.706 -9.309 1.00 0.00 N ATOM 816 CA MET A 50 -0.925 2.284 -9.883 1.00 0.00 C ATOM 817 C MET A 50 -0.580 3.343 -10.926 1.00 0.00 C ATOM 818 O MET A 50 0.592 3.644 -11.155 1.00 0.00 O ATOM 819 CB MET A 50 -1.792 2.899 -8.784 1.00 0.00 C ATOM 820 CG MET A 50 -2.486 1.868 -7.910 1.00 0.00 C ATOM 821 SD MET A 50 -3.652 2.613 -6.753 1.00 0.00 S ATOM 822 CE MET A 50 -5.211 2.222 -7.544 1.00 0.00 C ATOM 0 H MET A 50 0.901 2.382 -8.857 1.00 0.00 H new ATOM 0 HA MET A 50 -1.482 1.485 -10.372 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.170 3.536 -8.156 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.545 3.540 -9.242 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.014 1.156 -8.544 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.737 1.305 -7.353 1.00 0.00 H new ATOM 0 HE1 MET A 50 -6.031 2.441 -6.860 1.00 0.00 H new ATOM 0 HE2 MET A 50 -5.322 2.822 -8.447 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.230 1.164 -7.807 1.00 0.00 H new ATOM 832 N GLN A 51 -1.608 3.904 -11.554 1.00 0.00 N ATOM 833 CA GLN A 51 -1.414 4.930 -12.571 1.00 0.00 C ATOM 834 C GLN A 51 -0.898 6.223 -11.949 1.00 0.00 C ATOM 835 O GLN A 51 -1.067 6.458 -10.752 1.00 0.00 O ATOM 836 CB GLN A 51 -2.725 5.196 -13.312 1.00 0.00 C ATOM 837 CG GLN A 51 -3.059 4.141 -14.354 1.00 0.00 C ATOM 838 CD GLN A 51 -4.553 3.953 -14.536 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.243 4.836 -15.046 1.00 0.00 O ATOM 840 NE2 GLN A 51 -5.059 2.799 -14.117 1.00 0.00 N ATOM 0 H GLN A 51 -2.584 3.665 -11.376 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.670 4.567 -13.280 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.538 5.250 -12.588 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.667 6.170 -13.798 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.613 4.424 -15.308 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.610 3.192 -14.061 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.449 2.096 -13.700 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.058 2.616 -14.212 1.00 0.00 H new ATOM 849 N GLU A 52 -0.268 7.059 -12.768 1.00 0.00 N ATOM 850 CA GLU A 52 0.274 8.329 -12.297 1.00 0.00 C ATOM 851 C GLU A 52 -0.829 9.211 -11.720 1.00 0.00 C ATOM 852 O GLU A 52 -0.592 10.001 -10.806 1.00 0.00 O ATOM 853 CB GLU A 52 0.981 9.059 -13.440 1.00 0.00 C ATOM 854 CG GLU A 52 0.158 9.135 -14.715 1.00 0.00 C ATOM 855 CD GLU A 52 0.257 10.488 -15.393 1.00 0.00 C ATOM 856 OE1 GLU A 52 0.395 11.502 -14.676 1.00 0.00 O ATOM 857 OE2 GLU A 52 0.195 10.534 -16.639 1.00 0.00 O ATOM 0 H GLU A 52 -0.120 6.880 -13.761 1.00 0.00 H new ATOM 0 HA GLU A 52 0.995 8.118 -11.508 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.228 10.070 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.923 8.554 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.493 8.361 -15.406 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.886 8.925 -14.482 1.00 0.00 H new ATOM 864 N GLU A 53 -2.035 9.072 -12.261 1.00 0.00 N ATOM 865 CA GLU A 53 -3.174 9.859 -11.802 1.00 0.00 C ATOM 866 C GLU A 53 -3.789 9.250 -10.545 1.00 0.00 C ATOM 867 O GLU A 53 -4.328 9.962 -9.698 1.00 0.00 O ATOM 868 CB GLU A 53 -4.230 9.956 -12.904 1.00 0.00 C ATOM 869 CG GLU A 53 -4.841 8.616 -13.281 1.00 0.00 C ATOM 870 CD GLU A 53 -5.409 8.609 -14.687 1.00 0.00 C ATOM 871 OE1 GLU A 53 -4.788 9.220 -15.581 1.00 0.00 O ATOM 872 OE2 GLU A 53 -6.474 7.991 -14.893 1.00 0.00 O ATOM 0 H GLU A 53 -2.249 8.422 -13.017 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.817 10.860 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.023 10.629 -12.577 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.778 10.402 -13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.082 7.838 -13.196 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.632 8.369 -12.572 1.00 0.00 H new ATOM 879 N SER A 54 -3.707 7.928 -10.432 1.00 0.00 N ATOM 880 CA SER A 54 -4.258 7.224 -9.279 1.00 0.00 C ATOM 881 C SER A 54 -3.393 7.439 -8.041 1.00 0.00 C ATOM 882 O SER A 54 -3.897 7.483 -6.920 1.00 0.00 O ATOM 883 CB SER A 54 -4.376 5.728 -9.579 1.00 0.00 C ATOM 884 OG SER A 54 -5.669 5.405 -10.061 1.00 0.00 O ATOM 0 H SER A 54 -3.265 7.323 -11.124 1.00 0.00 H new ATOM 0 HA SER A 54 -5.250 7.629 -9.079 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.627 5.442 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.168 5.155 -8.675 1.00 0.00 H new ATOM 0 HG SER A 54 -5.673 4.484 -10.396 1.00 0.00 H new ATOM 890 N VAL A 55 -2.087 7.568 -8.252 1.00 0.00 N ATOM 891 CA VAL A 55 -1.151 7.775 -7.153 1.00 0.00 C ATOM 892 C VAL A 55 -1.500 9.026 -6.353 1.00 0.00 C ATOM 893 O VAL A 55 -1.542 8.996 -5.124 1.00 0.00 O ATOM 894 CB VAL A 55 0.298 7.893 -7.665 1.00 0.00 C ATOM 895 CG1 VAL A 55 1.275 7.939 -6.500 1.00 0.00 C ATOM 896 CG2 VAL A 55 0.629 6.743 -8.607 1.00 0.00 C ATOM 0 H VAL A 55 -1.653 7.533 -9.174 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.231 6.903 -6.504 1.00 0.00 H new ATOM 0 HB VAL A 55 0.392 8.825 -8.223 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.293 8.022 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.051 8.801 -5.871 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.182 7.027 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.656 6.844 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.518 5.796 -8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.049 6.765 -9.460 1.00 0.00 H new ATOM 906 N SER A 56 -1.747 10.126 -7.059 1.00 0.00 N ATOM 907 CA SER A 56 -2.090 11.388 -6.413 1.00 0.00 C ATOM 908 C SER A 56 -3.331 11.238 -5.536 1.00 0.00 C ATOM 909 O SER A 56 -3.261 11.382 -4.316 1.00 0.00 O ATOM 910 CB SER A 56 -2.324 12.475 -7.464 1.00 0.00 C ATOM 911 OG SER A 56 -1.192 12.626 -8.302 1.00 0.00 O ATOM 0 H SER A 56 -1.716 10.168 -8.078 1.00 0.00 H new ATOM 0 HA SER A 56 -1.254 11.678 -5.777 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.195 12.220 -8.067 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.544 13.422 -6.970 1.00 0.00 H new ATOM 0 HG SER A 56 -1.367 13.325 -8.966 1.00 0.00 H new ATOM 917 N GLU A 57 -4.463 10.950 -6.167 1.00 0.00 N ATOM 918 CA GLU A 57 -5.721 10.782 -5.447 1.00 0.00 C ATOM 919 C GLU A 57 -5.613 9.676 -4.400 1.00 0.00 C ATOM 920 O GLU A 57 -6.326 9.689 -3.396 1.00 0.00 O ATOM 921 CB GLU A 57 -6.852 10.462 -6.425 1.00 0.00 C ATOM 922 CG GLU A 57 -8.214 10.334 -5.761 1.00 0.00 C ATOM 923 CD GLU A 57 -9.220 11.337 -6.290 1.00 0.00 C ATOM 924 OE1 GLU A 57 -8.794 12.406 -6.775 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.434 11.055 -6.220 1.00 0.00 O ATOM 0 H GLU A 57 -4.536 10.828 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.942 11.719 -4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.899 11.245 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.621 9.531 -6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.596 9.325 -5.917 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.103 10.470 -4.685 1.00 0.00 H new ATOM 932 N ALA A 58 -4.723 8.719 -4.641 1.00 0.00 N ATOM 933 CA ALA A 58 -4.529 7.606 -3.720 1.00 0.00 C ATOM 934 C ALA A 58 -3.904 8.071 -2.408 1.00 0.00 C ATOM 935 O ALA A 58 -4.243 7.571 -1.341 1.00 0.00 O ATOM 936 CB ALA A 58 -3.664 6.534 -4.365 1.00 0.00 C ATOM 0 H ALA A 58 -4.125 8.692 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.508 7.185 -3.493 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.527 5.708 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.152 6.168 -5.268 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.693 6.956 -4.623 1.00 0.00 H new ATOM 942 N ILE A 59 -2.992 9.029 -2.497 1.00 0.00 N ATOM 943 CA ILE A 59 -2.315 9.565 -1.319 1.00 0.00 C ATOM 944 C ILE A 59 -3.074 10.759 -0.738 1.00 0.00 C ATOM 945 O ILE A 59 -2.776 11.218 0.365 1.00 0.00 O ATOM 946 CB ILE A 59 -0.869 9.992 -1.665 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.034 8.769 -2.049 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.220 10.735 -0.503 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.840 8.992 -3.264 1.00 0.00 C ATOM 0 H ILE A 59 -2.701 9.455 -3.377 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.286 8.772 -0.571 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.912 10.672 -2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.596 8.489 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.701 7.929 -2.241 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.795 11.022 -0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.800 11.629 -0.273 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.190 10.086 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.404 8.084 -3.478 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.215 9.242 -4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.532 9.811 -3.069 1.00 0.00 H new ATOM 961 N ALA A 60 -4.043 11.264 -1.493 1.00 0.00 N ATOM 962 CA ALA A 60 -4.832 12.413 -1.063 1.00 0.00 C ATOM 963 C ALA A 60 -5.912 12.026 -0.057 1.00 0.00 C ATOM 964 O ALA A 60 -6.054 12.661 0.987 1.00 0.00 O ATOM 965 CB ALA A 60 -5.467 13.078 -2.271 1.00 0.00 C ATOM 0 H ALA A 60 -4.302 10.895 -2.408 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.157 13.109 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.056 13.936 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.687 13.411 -2.955 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.115 12.365 -2.780 1.00 0.00 H new ATOM 971 N LYS A 61 -6.683 10.996 -0.386 1.00 0.00 N ATOM 972 CA LYS A 61 -7.764 10.547 0.484 1.00 0.00 C ATOM 973 C LYS A 61 -7.294 9.484 1.467 1.00 0.00 C ATOM 974 O LYS A 61 -7.946 9.236 2.481 1.00 0.00 O ATOM 975 CB LYS A 61 -8.922 10.001 -0.354 1.00 0.00 C ATOM 976 CG LYS A 61 -9.433 10.981 -1.397 1.00 0.00 C ATOM 977 CD LYS A 61 -10.015 12.229 -0.753 1.00 0.00 C ATOM 978 CE LYS A 61 -10.237 13.332 -1.775 1.00 0.00 C ATOM 979 NZ LYS A 61 -8.955 13.951 -2.213 1.00 0.00 N ATOM 0 H LYS A 61 -6.580 10.457 -1.246 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.102 11.409 1.059 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.599 9.087 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.743 9.729 0.309 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.618 11.261 -2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.194 10.498 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.961 11.983 -0.270 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.342 12.585 0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.758 12.924 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.883 14.099 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.155 14.803 -2.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.392 14.211 -1.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.422 13.272 -2.792 1.00 0.00 H new ATOM 993 N LEU A 62 -6.171 8.844 1.163 1.00 0.00 N ATOM 994 CA LEU A 62 -5.644 7.798 2.028 1.00 0.00 C ATOM 995 C LEU A 62 -4.692 8.359 3.080 1.00 0.00 C ATOM 996 O LEU A 62 -5.047 8.465 4.255 1.00 0.00 O ATOM 997 CB LEU A 62 -4.934 6.744 1.185 1.00 0.00 C ATOM 998 CG LEU A 62 -5.822 6.033 0.163 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.036 4.959 -0.573 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.043 5.433 0.845 1.00 0.00 C ATOM 0 H LEU A 62 -5.612 9.030 0.330 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.483 7.343 2.555 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.106 7.218 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.502 5.997 1.851 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.163 6.767 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.685 4.464 -1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.195 5.416 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.664 4.226 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.664 4.931 0.103 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.722 4.712 1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -7.619 6.225 1.324 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.484 8.709 2.657 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.482 9.247 3.569 1.00 0.00 C ATOM 1014 C ASP A 63 -2.979 10.527 4.237 1.00 0.00 C ATOM 1015 O ASP A 63 -3.692 11.325 3.628 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.165 9.493 2.814 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.576 10.874 3.048 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -0.176 11.162 4.196 1.00 0.00 O ATOM 1019 OD2 ASP A 63 -0.516 11.665 2.083 1.00 0.00 O ATOM 0 H ASP A 63 -3.174 8.630 1.688 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.300 8.517 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.437 8.741 3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.338 9.357 1.746 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.591 10.714 5.496 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.988 11.893 6.256 1.00 0.00 C ATOM 1026 C ASN A 64 -2.412 11.847 7.667 1.00 0.00 C ATOM 1027 O ASN A 64 -1.996 12.870 8.212 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.513 12.003 6.319 1.00 0.00 C ATOM 1029 CG ASN A 64 -4.990 13.442 6.299 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -5.657 13.873 5.359 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.647 14.192 7.339 1.00 0.00 N ATOM 0 H ASN A 64 -2.000 10.061 6.011 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.591 12.771 5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.948 11.467 5.476 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.873 11.516 7.226 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.938 15.169 7.381 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.093 13.792 8.096 1.00 0.00 H new ATOM 1038 N THR A 65 -2.393 10.655 8.253 1.00 0.00 N ATOM 1039 CA THR A 65 -1.868 10.474 9.602 1.00 0.00 C ATOM 1040 C THR A 65 -1.407 9.036 9.816 1.00 0.00 C ATOM 1041 O THR A 65 -1.337 8.249 8.871 1.00 0.00 O ATOM 1042 CB THR A 65 -2.928 10.847 10.643 1.00 0.00 C ATOM 1043 OG1 THR A 65 -4.191 11.038 10.030 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.595 12.110 11.409 1.00 0.00 C ATOM 0 H THR A 65 -2.735 9.799 7.815 1.00 0.00 H new ATOM 0 HA THR A 65 -1.009 11.134 9.722 1.00 0.00 H new ATOM 0 HB THR A 65 -2.952 10.011 11.342 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.854 11.274 10.712 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.386 12.318 12.130 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.650 11.978 11.936 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.509 12.945 10.714 1.00 0.00 H new ATOM 1052 N ASP A 66 -1.094 8.699 11.063 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.641 7.356 11.401 1.00 0.00 C ATOM 1054 C ASP A 66 -1.685 6.622 12.236 1.00 0.00 C ATOM 1055 O ASP A 66 -1.935 6.978 13.387 1.00 0.00 O ATOM 1056 CB ASP A 66 0.683 7.421 12.165 1.00 0.00 C ATOM 1057 CG ASP A 66 0.682 8.492 13.239 1.00 0.00 C ATOM 1058 OD1 ASP A 66 0.888 9.676 12.896 1.00 0.00 O ATOM 1059 OD2 ASP A 66 0.474 8.148 14.420 1.00 0.00 O ATOM 0 H ASP A 66 -1.146 9.338 11.856 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.493 6.805 10.472 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.882 6.452 12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.494 7.615 11.464 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.291 5.595 11.649 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.307 4.812 12.341 1.00 0.00 C ATOM 1066 C PHE A 67 -3.086 3.319 12.118 1.00 0.00 C ATOM 1067 O PHE A 67 -2.070 2.908 11.559 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.705 5.214 11.864 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.583 5.744 12.961 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -5.508 7.073 13.346 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -6.483 4.913 13.609 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -6.313 7.563 14.356 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -7.291 5.397 14.619 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.206 6.724 14.994 1.00 0.00 C ATOM 0 H PHE A 67 -2.096 5.286 10.697 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.225 5.017 13.409 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.611 5.972 11.087 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.188 4.349 11.409 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.812 7.734 12.851 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -6.553 3.875 13.321 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -6.244 8.601 14.647 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -7.989 4.739 15.115 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.836 7.105 15.784 1.00 0.00 H new ATOM 1084 N MET A 68 -4.043 2.511 12.563 1.00 0.00 N ATOM 1085 CA MET A 68 -3.952 1.064 12.414 1.00 0.00 C ATOM 1086 C MET A 68 -4.695 0.594 11.167 1.00 0.00 C ATOM 1087 O MET A 68 -5.360 -0.443 11.182 1.00 0.00 O ATOM 1088 CB MET A 68 -4.519 0.369 13.653 1.00 0.00 C ATOM 1089 CG MET A 68 -3.665 0.551 14.897 1.00 0.00 C ATOM 1090 SD MET A 68 -3.735 2.231 15.551 1.00 0.00 S ATOM 1091 CE MET A 68 -3.040 1.987 17.184 1.00 0.00 C ATOM 0 H MET A 68 -4.890 2.834 13.030 1.00 0.00 H new ATOM 0 HA MET A 68 -2.900 0.801 12.305 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.519 0.754 13.850 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.623 -0.696 13.446 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.996 -0.148 15.665 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.631 0.300 14.662 1.00 0.00 H new ATOM 0 HE1 MET A 68 -3.016 2.939 17.715 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.654 1.277 17.738 1.00 0.00 H new ATOM 0 HE3 MET A 68 -2.026 1.596 17.093 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.577 1.361 10.089 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.242 1.005 8.849 1.00 0.00 C ATOM 1103 C GLY A 69 -6.401 1.927 8.525 1.00 0.00 C ATOM 1104 O GLY A 69 -7.382 1.508 7.911 1.00 0.00 O ATOM 0 H GLY A 69 -4.033 2.223 10.051 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.520 1.033 8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.606 -0.020 8.917 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.289 3.185 8.939 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.337 4.168 8.689 1.00 0.00 C ATOM 1110 C ARG A 70 -6.867 5.222 7.692 1.00 0.00 C ATOM 1111 O ARG A 70 -7.615 5.624 6.799 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.759 4.840 9.996 1.00 0.00 C ATOM 1113 CG ARG A 70 -8.773 4.035 10.795 1.00 0.00 C ATOM 1114 CD ARG A 70 -10.177 4.605 10.657 1.00 0.00 C ATOM 1115 NE ARG A 70 -11.125 3.610 10.164 1.00 0.00 N ATOM 1116 CZ ARG A 70 -12.443 3.795 10.128 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -12.971 4.935 10.556 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -13.234 2.838 9.664 1.00 0.00 N ATOM 0 H ARG A 70 -5.483 3.548 9.449 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.194 3.647 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.875 5.007 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.181 5.820 9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.765 3.000 10.455 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.485 4.027 11.846 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.513 4.978 11.624 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -10.158 5.456 9.976 1.00 0.00 H new ATOM 0 HE ARG A 70 -10.756 2.721 9.827 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.366 5.674 10.915 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.981 5.072 10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.833 1.960 9.335 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.244 2.980 9.636 1.00 0.00 H new ATOM 1132 N THR A 71 -5.624 5.666 7.849 1.00 0.00 N ATOM 1133 CA THR A 71 -5.055 6.673 6.961 1.00 0.00 C ATOM 1134 C THR A 71 -3.642 6.288 6.535 1.00 0.00 C ATOM 1135 O THR A 71 -3.312 6.322 5.349 1.00 0.00 O ATOM 1136 CB THR A 71 -5.039 8.041 7.648 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.191 8.939 6.956 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.573 7.984 9.087 1.00 0.00 C ATOM 0 H THR A 71 -4.992 5.344 8.582 1.00 0.00 H new ATOM 0 HA THR A 71 -5.681 6.730 6.070 1.00 0.00 H new ATOM 0 HB THR A 71 -6.074 8.384 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.373 8.886 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.586 8.987 9.514 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.238 7.338 9.660 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.559 7.586 9.126 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.812 5.922 7.506 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.434 5.532 7.223 1.00 0.00 C ATOM 1148 C ILE A 72 -0.679 6.668 6.542 1.00 0.00 C ATOM 1149 O ILE A 72 -1.284 7.631 6.071 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.378 4.276 6.328 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.465 3.279 6.732 1.00 0.00 C ATOM 1152 CG2 ILE A 72 -0.004 3.627 6.408 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.527 2.057 5.841 1.00 0.00 C ATOM 0 H ILE A 72 -3.067 5.887 8.493 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.961 5.304 8.178 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.557 4.580 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.291 2.961 7.760 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.432 3.781 6.714 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.018 2.743 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.753 4.335 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.202 3.337 7.438 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.320 1.394 6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.732 2.364 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.573 1.531 5.878 1.00 0.00 H new ATOM 1165 N ARG A 73 0.644 6.554 6.491 1.00 0.00 N ATOM 1166 CA ARG A 73 1.474 7.578 5.865 1.00 0.00 C ATOM 1167 C ARG A 73 1.863 7.167 4.448 1.00 0.00 C ATOM 1168 O ARG A 73 3.033 7.234 4.068 1.00 0.00 O ATOM 1169 CB ARG A 73 2.730 7.828 6.703 1.00 0.00 C ATOM 1170 CG ARG A 73 2.550 8.900 7.764 1.00 0.00 C ATOM 1171 CD ARG A 73 3.883 9.304 8.378 1.00 0.00 C ATOM 1172 NE ARG A 73 3.885 10.698 8.813 1.00 0.00 N ATOM 1173 CZ ARG A 73 4.886 11.262 9.486 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.966 10.555 9.800 1.00 0.00 N ATOM 1175 NH2 ARG A 73 4.809 12.536 9.843 1.00 0.00 N ATOM 0 H ARG A 73 1.164 5.765 6.875 1.00 0.00 H new ATOM 0 HA ARG A 73 0.895 8.500 5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.026 6.897 7.186 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.546 8.117 6.041 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.071 9.774 7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 73 1.884 8.533 8.545 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.101 8.658 9.229 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.679 9.150 7.649 1.00 0.00 H new ATOM 0 HE ARG A 73 3.073 11.273 8.588 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.032 9.575 9.525 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.730 10.992 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.983 13.084 9.602 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.576 12.968 10.359 1.00 0.00 H new ATOM 1189 N VAL A 74 0.874 6.743 3.667 1.00 0.00 N ATOM 1190 CA VAL A 74 1.113 6.323 2.292 1.00 0.00 C ATOM 1191 C VAL A 74 1.581 7.495 1.434 1.00 0.00 C ATOM 1192 O VAL A 74 0.920 8.531 1.368 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.153 5.703 1.664 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.301 6.702 1.670 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.131 5.214 0.251 1.00 0.00 C ATOM 0 H VAL A 74 -0.100 6.682 3.964 1.00 0.00 H new ATOM 0 HA VAL A 74 1.897 5.566 2.322 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.447 4.844 2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.184 6.245 1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.524 6.994 2.696 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.019 7.584 1.095 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.775 4.781 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.455 6.052 -0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.916 4.458 0.278 1.00 0.00 H new ATOM 1205 N THR A 75 2.725 7.326 0.782 1.00 0.00 N ATOM 1206 CA THR A 75 3.279 8.373 -0.069 1.00 0.00 C ATOM 1207 C THR A 75 3.713 7.809 -1.417 1.00 0.00 C ATOM 1208 O THR A 75 3.873 6.599 -1.571 1.00 0.00 O ATOM 1209 CB THR A 75 4.466 9.045 0.623 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.997 10.080 -0.185 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.594 8.086 0.941 1.00 0.00 C ATOM 0 H THR A 75 3.287 6.476 0.826 1.00 0.00 H new ATOM 0 HA THR A 75 2.500 9.115 -0.242 1.00 0.00 H new ATOM 0 HB THR A 75 4.070 9.439 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.754 10.499 0.275 1.00 0.00 H new ATOM 0 HG21 THR A 75 6.404 8.627 1.431 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.229 7.301 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.962 7.639 0.018 1.00 0.00 H new ATOM 1219 N GLU A 76 3.901 8.694 -2.389 1.00 0.00 N ATOM 1220 CA GLU A 76 4.317 8.286 -3.725 1.00 0.00 C ATOM 1221 C GLU A 76 5.823 8.048 -3.778 1.00 0.00 C ATOM 1222 O GLU A 76 6.614 8.967 -3.565 1.00 0.00 O ATOM 1223 CB GLU A 76 3.921 9.350 -4.750 1.00 0.00 C ATOM 1224 CG GLU A 76 4.338 10.758 -4.355 1.00 0.00 C ATOM 1225 CD GLU A 76 4.734 11.605 -5.549 1.00 0.00 C ATOM 1226 OE1 GLU A 76 5.258 11.038 -6.531 1.00 0.00 O ATOM 1227 OE2 GLU A 76 4.522 12.835 -5.500 1.00 0.00 O ATOM 0 H GLU A 76 3.772 9.700 -2.277 1.00 0.00 H new ATOM 0 HA GLU A 76 3.812 7.351 -3.967 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.371 9.102 -5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.840 9.325 -4.889 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.516 11.242 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.175 10.703 -3.659 1.00 0.00 H new ATOM 1234 N ALA A 77 6.212 6.809 -4.061 1.00 0.00 N ATOM 1235 CA ALA A 77 7.623 6.452 -4.142 1.00 0.00 C ATOM 1236 C ALA A 77 8.294 7.130 -5.332 1.00 0.00 C ATOM 1237 O ALA A 77 7.573 7.744 -6.145 1.00 0.00 O ATOM 1238 CB ALA A 77 7.779 4.942 -4.235 1.00 0.00 C ATOM 0 H ALA A 77 5.570 6.036 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 77 8.114 6.802 -3.234 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.837 4.689 -4.295 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.344 4.476 -3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.268 4.578 -5.126 1.00 0.00 H new TER 1244 ALA A 77