USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 486 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 54 GLN : amide:sc= -0.603 K(o=-0.82,f=-1.9!) USER MOD Set 1.2: A 58 MET CE :methyl -113:sc= -0.216 (180deg=-1.5!) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.118 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.00715 X(o=-0.0072,f=-0.29) USER MOD Single : A 19 ASN : amide:sc= -0.379 K(o=-0.38,f=-2.7!) USER MOD Single : A 20 GLN :FLIP amide:sc= -0.33 F(o=-2.2!,f=-0.33) USER MOD Single : A 22 MET CE :methyl 178:sc= -3.32! (180deg=-3.34!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -137:sc= -0.187 (180deg=-3.62!) USER MOD Single : A 31 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.046) USER MOD Single : A 32 MET CE :methyl 167:sc= -0.208 (180deg=-0.4) USER MOD Single : A 34 TYR OH : rot -79:sc= 0.183 USER MOD Single : A 39 CYS SG : rot 79:sc= -0.118 USER MOD Single : A 44 ASN :FLIP amide:sc= -0.827 F(o=-1.7,f=-0.83) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 79:sc= -0.0297 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 59 ASN : amide:sc= -0.0199 X(o=-0.02,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.703 13.522 -17.002 1.00 0.00 N ATOM 2 CA GLY A 1 -20.085 14.922 -17.085 1.00 0.00 C ATOM 3 C GLY A 1 -21.263 15.225 -16.157 1.00 0.00 C ATOM 4 O GLY A 1 -21.644 14.389 -15.339 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.701 13.451 -16.733 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.288 13.044 -16.287 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.847 13.068 -17.926 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.236 15.551 -16.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.354 15.169 -18.112 1.00 0.00 H new ATOM 8 N SER A 2 -21.808 16.422 -16.315 1.00 0.00 N ATOM 9 CA SER A 2 -22.935 16.846 -15.502 1.00 0.00 C ATOM 10 C SER A 2 -22.679 16.501 -14.033 1.00 0.00 C ATOM 11 O SER A 2 -23.050 15.423 -13.571 1.00 0.00 O ATOM 12 CB SER A 2 -24.234 16.196 -15.981 1.00 0.00 C ATOM 13 OG SER A 2 -24.578 16.601 -17.303 1.00 0.00 O ATOM 0 H SER A 2 -21.490 17.112 -16.995 1.00 0.00 H new ATOM 0 HA SER A 2 -23.042 17.926 -15.602 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.130 15.111 -15.950 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.043 16.458 -15.299 1.00 0.00 H new ATOM 0 HG SER A 2 -25.412 16.163 -17.573 1.00 0.00 H new ATOM 19 N SER A 3 -22.047 17.437 -13.341 1.00 0.00 N ATOM 20 CA SER A 3 -21.737 17.246 -11.934 1.00 0.00 C ATOM 21 C SER A 3 -20.923 15.964 -11.747 1.00 0.00 C ATOM 22 O SER A 3 -20.801 15.161 -12.671 1.00 0.00 O ATOM 23 CB SER A 3 -23.013 17.192 -11.091 1.00 0.00 C ATOM 24 OG SER A 3 -23.407 18.484 -10.636 1.00 0.00 O ATOM 0 H SER A 3 -21.741 18.330 -13.728 1.00 0.00 H new ATOM 0 HA SER A 3 -21.146 18.097 -11.596 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.819 16.754 -11.680 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.854 16.539 -10.233 1.00 0.00 H new ATOM 0 HG SER A 3 -24.226 18.408 -10.103 1.00 0.00 H new ATOM 30 N GLY A 4 -20.386 15.812 -10.545 1.00 0.00 N ATOM 31 CA GLY A 4 -19.587 14.642 -10.225 1.00 0.00 C ATOM 32 C GLY A 4 -20.192 13.869 -9.050 1.00 0.00 C ATOM 33 O GLY A 4 -20.166 14.339 -7.914 1.00 0.00 O ATOM 0 H GLY A 4 -20.489 16.480 -9.781 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.522 13.992 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.570 14.948 -9.979 1.00 0.00 H new ATOM 37 N SER A 5 -20.724 12.697 -9.365 1.00 0.00 N ATOM 38 CA SER A 5 -21.334 11.855 -8.351 1.00 0.00 C ATOM 39 C SER A 5 -20.703 10.462 -8.378 1.00 0.00 C ATOM 40 O SER A 5 -21.057 9.633 -9.215 1.00 0.00 O ATOM 41 CB SER A 5 -22.847 11.757 -8.554 1.00 0.00 C ATOM 42 OG SER A 5 -23.511 11.261 -7.394 1.00 0.00 O ATOM 0 H SER A 5 -20.745 12.311 -10.309 1.00 0.00 H new ATOM 0 HA SER A 5 -21.154 12.309 -7.376 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.243 12.741 -8.806 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.058 11.103 -9.400 1.00 0.00 H new ATOM 0 HG SER A 5 -24.475 11.215 -7.564 1.00 0.00 H new ATOM 48 N SER A 6 -19.780 10.247 -7.452 1.00 0.00 N ATOM 49 CA SER A 6 -19.096 8.968 -7.360 1.00 0.00 C ATOM 50 C SER A 6 -18.195 8.767 -8.580 1.00 0.00 C ATOM 51 O SER A 6 -18.550 9.161 -9.690 1.00 0.00 O ATOM 52 CB SER A 6 -20.096 7.816 -7.242 1.00 0.00 C ATOM 53 OG SER A 6 -19.532 6.684 -6.587 1.00 0.00 O ATOM 0 H SER A 6 -19.490 10.937 -6.759 1.00 0.00 H new ATOM 0 HA SER A 6 -18.481 8.973 -6.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.974 8.153 -6.691 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.435 7.527 -8.237 1.00 0.00 H new ATOM 0 HG SER A 6 -20.202 5.971 -6.530 1.00 0.00 H new ATOM 59 N GLY A 7 -17.047 8.154 -8.333 1.00 0.00 N ATOM 60 CA GLY A 7 -16.092 7.895 -9.397 1.00 0.00 C ATOM 61 C GLY A 7 -14.748 8.564 -9.103 1.00 0.00 C ATOM 62 O GLY A 7 -14.296 9.419 -9.863 1.00 0.00 O ATOM 0 H GLY A 7 -16.756 7.829 -7.411 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.950 6.820 -9.509 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.487 8.265 -10.343 1.00 0.00 H new ATOM 66 N ARG A 8 -14.147 8.149 -7.997 1.00 0.00 N ATOM 67 CA ARG A 8 -12.863 8.698 -7.593 1.00 0.00 C ATOM 68 C ARG A 8 -11.852 7.571 -7.368 1.00 0.00 C ATOM 69 O ARG A 8 -12.234 6.437 -7.084 1.00 0.00 O ATOM 70 CB ARG A 8 -12.995 9.519 -6.309 1.00 0.00 C ATOM 71 CG ARG A 8 -13.904 10.731 -6.525 1.00 0.00 C ATOM 72 CD ARG A 8 -13.080 12.004 -6.731 1.00 0.00 C ATOM 73 NE ARG A 8 -13.876 13.007 -7.475 1.00 0.00 N ATOM 74 CZ ARG A 8 -14.127 12.941 -8.789 1.00 0.00 C ATOM 75 NH1 ARG A 8 -13.648 11.921 -9.513 1.00 0.00 N ATOM 76 NH2 ARG A 8 -14.859 13.896 -9.379 1.00 0.00 N ATOM 0 H ARG A 8 -14.525 7.440 -7.369 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.514 9.350 -8.393 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.399 8.894 -5.513 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.010 9.852 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.542 10.562 -7.393 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.562 10.855 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.777 12.411 -5.766 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.167 11.772 -7.280 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.257 13.797 -6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.092 11.194 -9.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.840 11.872 -10.514 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.224 14.672 -8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.051 13.847 -10.380 1.00 0.00 H new ATOM 90 N PRO A 9 -10.549 7.933 -7.506 1.00 0.00 N ATOM 91 CA PRO A 9 -9.480 6.966 -7.321 1.00 0.00 C ATOM 92 C PRO A 9 -9.272 6.656 -5.838 1.00 0.00 C ATOM 93 O PRO A 9 -9.817 7.342 -4.974 1.00 0.00 O ATOM 94 CB PRO A 9 -8.261 7.598 -7.973 1.00 0.00 C ATOM 95 CG PRO A 9 -8.571 9.082 -8.086 1.00 0.00 C ATOM 96 CD PRO A 9 -10.059 9.267 -7.842 1.00 0.00 C ATOM 0 HA PRO A 9 -9.702 6.001 -7.775 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.366 7.430 -7.373 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -8.073 7.162 -8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.991 9.650 -7.358 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.297 9.455 -9.073 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.243 9.972 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.559 9.661 -8.727 1.00 0.00 H new ATOM 104 N ALA A 10 -8.483 5.622 -5.587 1.00 0.00 N ATOM 105 CA ALA A 10 -8.196 5.213 -4.223 1.00 0.00 C ATOM 106 C ALA A 10 -6.978 4.286 -4.218 1.00 0.00 C ATOM 107 O ALA A 10 -7.059 3.151 -3.751 1.00 0.00 O ATOM 108 CB ALA A 10 -9.435 4.550 -3.617 1.00 0.00 C ATOM 0 H ALA A 10 -8.033 5.055 -6.306 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.954 6.079 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.220 4.243 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.263 5.258 -3.617 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.706 3.675 -4.209 1.00 0.00 H new ATOM 114 N ARG A 11 -5.878 4.806 -4.743 1.00 0.00 N ATOM 115 CA ARG A 11 -4.645 4.039 -4.805 1.00 0.00 C ATOM 116 C ARG A 11 -3.436 4.976 -4.763 1.00 0.00 C ATOM 117 O ARG A 11 -3.539 6.146 -5.127 1.00 0.00 O ATOM 118 CB ARG A 11 -4.584 3.196 -6.080 1.00 0.00 C ATOM 119 CG ARG A 11 -5.394 1.907 -5.924 1.00 0.00 C ATOM 120 CD ARG A 11 -5.450 1.132 -7.243 1.00 0.00 C ATOM 121 NE ARG A 11 -5.774 -0.288 -6.981 1.00 0.00 N ATOM 122 CZ ARG A 11 -5.618 -1.271 -7.878 1.00 0.00 C ATOM 123 NH1 ARG A 11 -5.142 -0.995 -9.100 1.00 0.00 N ATOM 124 NH2 ARG A 11 -5.938 -2.531 -7.554 1.00 0.00 N ATOM 0 H ARG A 11 -5.815 5.748 -5.129 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.624 3.373 -3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.970 3.773 -6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.547 2.952 -6.310 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.946 1.283 -5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.405 2.146 -5.595 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.201 1.570 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.493 1.206 -7.759 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.139 -0.534 -6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.898 -0.036 -9.348 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.024 -1.744 -9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.301 -2.742 -6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.819 -3.279 -8.237 1.00 0.00 H new ATOM 138 N GLN A 12 -2.317 4.425 -4.314 1.00 0.00 N ATOM 139 CA GLN A 12 -1.089 5.197 -4.220 1.00 0.00 C ATOM 140 C GLN A 12 -1.388 6.612 -3.721 1.00 0.00 C ATOM 141 O GLN A 12 -0.850 7.586 -4.244 1.00 0.00 O ATOM 142 CB GLN A 12 -0.359 5.233 -5.564 1.00 0.00 C ATOM 143 CG GLN A 12 -1.169 6.004 -6.608 1.00 0.00 C ATOM 144 CD GLN A 12 -0.263 6.546 -7.714 1.00 0.00 C ATOM 145 OE1 GLN A 12 0.753 7.175 -7.468 1.00 0.00 O ATOM 146 NE2 GLN A 12 -0.686 6.269 -8.945 1.00 0.00 N ATOM 0 H GLN A 12 -2.235 3.454 -4.012 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.432 4.710 -3.500 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.618 5.700 -5.439 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.183 4.216 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.926 5.351 -7.041 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.696 6.829 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.546 5.738 -9.081 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.150 6.588 -9.752 1.00 0.00 H new ATOM 155 N VAL A 13 -2.247 6.680 -2.713 1.00 0.00 N ATOM 156 CA VAL A 13 -2.624 7.960 -2.138 1.00 0.00 C ATOM 157 C VAL A 13 -1.392 8.616 -1.511 1.00 0.00 C ATOM 158 O VAL A 13 -0.448 7.928 -1.123 1.00 0.00 O ATOM 159 CB VAL A 13 -3.770 7.768 -1.143 1.00 0.00 C ATOM 160 CG1 VAL A 13 -5.006 7.189 -1.834 1.00 0.00 C ATOM 161 CG2 VAL A 13 -3.336 6.889 0.031 1.00 0.00 C ATOM 0 H VAL A 13 -2.692 5.870 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.992 8.633 -2.912 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.036 8.748 -0.747 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.805 7.063 -1.104 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.336 7.869 -2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.759 6.222 -2.272 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.169 6.769 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.029 5.911 -0.341 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.500 7.360 0.548 1.00 0.00 H new ATOM 171 N ARG A 14 -1.440 9.937 -1.432 1.00 0.00 N ATOM 172 CA ARG A 14 -0.339 10.693 -0.859 1.00 0.00 C ATOM 173 C ARG A 14 -0.870 11.754 0.108 1.00 0.00 C ATOM 174 O ARG A 14 -1.872 12.409 -0.173 1.00 0.00 O ATOM 175 CB ARG A 14 0.486 11.377 -1.951 1.00 0.00 C ATOM 176 CG ARG A 14 1.911 11.655 -1.468 1.00 0.00 C ATOM 177 CD ARG A 14 2.921 10.766 -2.196 1.00 0.00 C ATOM 178 NE ARG A 14 3.416 9.710 -1.284 1.00 0.00 N ATOM 179 CZ ARG A 14 4.210 9.941 -0.230 1.00 0.00 C ATOM 180 NH1 ARG A 14 4.605 11.190 0.052 1.00 0.00 N ATOM 181 NH2 ARG A 14 4.611 8.922 0.543 1.00 0.00 N ATOM 0 H ARG A 14 -2.224 10.504 -1.755 1.00 0.00 H new ATOM 0 HA ARG A 14 0.300 9.992 -0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.516 10.745 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.008 12.312 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.157 12.704 -1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.975 11.480 -0.394 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.455 10.313 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.755 11.368 -2.555 1.00 0.00 H new ATOM 0 HE ARG A 14 3.135 8.747 -1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.301 11.966 -0.536 1.00 0.00 H new ATOM 0 HH12 ARG A 14 5.210 11.365 0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.312 7.971 0.329 1.00 0.00 H new ATOM 0 HH22 ARG A 14 5.216 9.098 1.345 1.00 0.00 H new ATOM 195 N ARG A 15 -0.175 11.889 1.227 1.00 0.00 N ATOM 196 CA ARG A 15 -0.563 12.858 2.238 1.00 0.00 C ATOM 197 C ARG A 15 -1.713 12.309 3.085 1.00 0.00 C ATOM 198 O ARG A 15 -2.498 11.487 2.615 1.00 0.00 O ATOM 199 CB ARG A 15 -0.997 14.178 1.597 1.00 0.00 C ATOM 200 CG ARG A 15 -0.613 15.368 2.479 1.00 0.00 C ATOM 201 CD ARG A 15 0.581 16.123 1.892 1.00 0.00 C ATOM 202 NE ARG A 15 0.174 16.833 0.658 1.00 0.00 N ATOM 203 CZ ARG A 15 -0.490 17.996 0.646 1.00 0.00 C ATOM 204 NH1 ARG A 15 -0.825 18.589 1.800 1.00 0.00 N ATOM 205 NH2 ARG A 15 -0.818 18.568 -0.521 1.00 0.00 N ATOM 0 H ARG A 15 0.655 11.343 1.456 1.00 0.00 H new ATOM 0 HA ARG A 15 0.305 13.042 2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.531 14.281 0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.075 14.172 1.438 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.463 16.043 2.575 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -0.369 15.018 3.482 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.965 16.836 2.622 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.389 15.426 1.671 1.00 0.00 H new ATOM 0 HE ARG A 15 0.414 16.410 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.574 18.155 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.331 19.475 1.790 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.562 18.117 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.324 19.454 -0.530 1.00 0.00 H new ATOM 219 N LEU A 16 -1.775 12.785 4.320 1.00 0.00 N ATOM 220 CA LEU A 16 -2.815 12.352 5.238 1.00 0.00 C ATOM 221 C LEU A 16 -2.573 10.892 5.625 1.00 0.00 C ATOM 222 O LEU A 16 -1.769 10.205 4.996 1.00 0.00 O ATOM 223 CB LEU A 16 -4.199 12.607 4.637 1.00 0.00 C ATOM 224 CG LEU A 16 -5.007 13.742 5.271 1.00 0.00 C ATOM 225 CD1 LEU A 16 -5.406 13.395 6.707 1.00 0.00 C ATOM 226 CD2 LEU A 16 -4.245 15.067 5.193 1.00 0.00 C ATOM 0 H LEU A 16 -1.122 13.466 4.706 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.779 12.936 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.078 12.823 3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.781 11.688 4.711 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.928 13.865 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.979 14.218 7.134 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.014 12.491 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.509 13.229 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.841 15.857 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.298 14.974 5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.053 15.315 4.149 1.00 0.00 H new ATOM 238 N GLU A 17 -3.282 10.461 6.658 1.00 0.00 N ATOM 239 CA GLU A 17 -3.153 9.096 7.136 1.00 0.00 C ATOM 240 C GLU A 17 -3.557 8.109 6.039 1.00 0.00 C ATOM 241 O GLU A 17 -4.076 8.510 4.999 1.00 0.00 O ATOM 242 CB GLU A 17 -3.984 8.878 8.402 1.00 0.00 C ATOM 243 CG GLU A 17 -5.480 9.005 8.105 1.00 0.00 C ATOM 244 CD GLU A 17 -6.160 9.940 9.108 1.00 0.00 C ATOM 245 OE1 GLU A 17 -5.709 11.102 9.197 1.00 0.00 O ATOM 246 OE2 GLU A 17 -7.116 9.471 9.762 1.00 0.00 O ATOM 0 H GLU A 17 -3.948 11.034 7.177 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.108 8.918 7.391 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -3.774 7.891 8.814 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.697 9.607 9.160 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.623 9.385 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.947 8.021 8.145 1.00 0.00 H new ATOM 253 N PHE A 18 -3.303 6.837 6.309 1.00 0.00 N ATOM 254 CA PHE A 18 -3.633 5.789 5.358 1.00 0.00 C ATOM 255 C PHE A 18 -4.608 4.781 5.969 1.00 0.00 C ATOM 256 O PHE A 18 -4.346 3.579 5.967 1.00 0.00 O ATOM 257 CB PHE A 18 -2.327 5.072 5.010 1.00 0.00 C ATOM 258 CG PHE A 18 -1.663 4.378 6.201 1.00 0.00 C ATOM 259 CD1 PHE A 18 -0.945 5.105 7.098 1.00 0.00 C ATOM 260 CD2 PHE A 18 -1.790 3.034 6.362 1.00 0.00 C ATOM 261 CE1 PHE A 18 -0.328 4.461 8.203 1.00 0.00 C ATOM 262 CE2 PHE A 18 -1.174 2.389 7.467 1.00 0.00 C ATOM 263 CZ PHE A 18 -0.456 3.116 8.364 1.00 0.00 C ATOM 0 H PHE A 18 -2.872 6.508 7.173 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.106 6.222 4.477 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.526 4.331 4.236 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.629 5.795 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.844 6.173 6.970 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.360 2.457 5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.243 5.039 8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -1.276 1.321 7.595 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.013 2.626 9.204 1.00 0.00 H new ATOM 273 N ASN A 19 -5.712 5.307 6.478 1.00 0.00 N ATOM 274 CA ASN A 19 -6.727 4.467 7.091 1.00 0.00 C ATOM 275 C ASN A 19 -7.481 3.706 5.999 1.00 0.00 C ATOM 276 O ASN A 19 -7.593 2.482 6.054 1.00 0.00 O ATOM 277 CB ASN A 19 -7.742 5.309 7.867 1.00 0.00 C ATOM 278 CG ASN A 19 -7.777 4.903 9.342 1.00 0.00 C ATOM 279 OD1 ASN A 19 -7.235 3.887 9.746 1.00 0.00 O ATOM 280 ND2 ASN A 19 -8.443 5.751 10.121 1.00 0.00 N ATOM 0 H ASN A 19 -5.926 6.304 6.479 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.229 3.780 7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.484 6.365 7.783 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.732 5.187 7.429 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.523 5.569 11.121 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -8.873 6.583 9.718 1.00 0.00 H new ATOM 287 N GLN A 20 -7.980 4.462 5.032 1.00 0.00 N ATOM 288 CA GLN A 20 -8.720 3.873 3.928 1.00 0.00 C ATOM 289 C GLN A 20 -7.985 2.643 3.393 1.00 0.00 C ATOM 290 O GLN A 20 -8.535 1.542 3.385 1.00 0.00 O ATOM 291 CB GLN A 20 -8.955 4.898 2.817 1.00 0.00 C ATOM 292 CG GLN A 20 -9.887 4.337 1.741 1.00 0.00 C ATOM 293 CD GLN A 20 -9.255 4.454 0.353 1.00 0.00 C ATOM 294 OE1 GLN A 20 -9.316 3.336 -0.365 1.00 0.00 O flip ATOM 295 NE2 GLN A 20 -8.745 5.490 -0.040 1.00 0.00 N flip ATOM 0 H GLN A 20 -7.887 5.477 4.990 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.695 3.557 4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.387 5.805 3.240 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.002 5.178 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.109 3.292 1.956 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.835 4.875 1.759 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.732 6.313 0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.332 5.534 -0.971 1.00 0.00 H new ATOM 304 N ALA A 21 -6.755 2.871 2.958 1.00 0.00 N ATOM 305 CA ALA A 21 -5.939 1.794 2.421 1.00 0.00 C ATOM 306 C ALA A 21 -6.067 0.565 3.324 1.00 0.00 C ATOM 307 O ALA A 21 -6.466 -0.505 2.868 1.00 0.00 O ATOM 308 CB ALA A 21 -4.491 2.269 2.286 1.00 0.00 C ATOM 0 H ALA A 21 -6.303 3.785 2.966 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.283 1.511 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.879 1.462 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.450 3.125 1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.110 2.559 3.265 1.00 0.00 H new ATOM 314 N MET A 22 -5.722 0.760 4.588 1.00 0.00 N ATOM 315 CA MET A 22 -5.793 -0.319 5.558 1.00 0.00 C ATOM 316 C MET A 22 -7.172 -0.981 5.541 1.00 0.00 C ATOM 317 O MET A 22 -7.304 -2.158 5.874 1.00 0.00 O ATOM 318 CB MET A 22 -5.508 0.232 6.957 1.00 0.00 C ATOM 319 CG MET A 22 -4.025 0.095 7.308 1.00 0.00 C ATOM 320 SD MET A 22 -3.846 -0.640 8.925 1.00 0.00 S ATOM 321 CE MET A 22 -3.717 -2.361 8.470 1.00 0.00 C ATOM 0 H MET A 22 -5.392 1.650 4.963 1.00 0.00 H new ATOM 0 HA MET A 22 -5.047 -1.069 5.295 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.802 1.281 7.006 1.00 0.00 H new ATOM 0 HB3 MET A 22 -6.110 -0.302 7.692 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.522 -0.520 6.562 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.546 1.074 7.289 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.564 -2.964 9.365 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.635 -2.676 7.974 1.00 0.00 H new ATOM 0 HE3 MET A 22 -2.874 -2.496 7.793 1.00 0.00 H new ATOM 331 N ASP A 23 -8.166 -0.196 5.151 1.00 0.00 N ATOM 332 CA ASP A 23 -9.530 -0.692 5.086 1.00 0.00 C ATOM 333 C ASP A 23 -9.659 -1.668 3.915 1.00 0.00 C ATOM 334 O ASP A 23 -10.388 -2.654 4.001 1.00 0.00 O ATOM 335 CB ASP A 23 -10.521 0.451 4.860 1.00 0.00 C ATOM 336 CG ASP A 23 -11.819 0.350 5.664 1.00 0.00 C ATOM 337 OD1 ASP A 23 -11.861 -0.511 6.569 1.00 0.00 O ATOM 338 OD2 ASP A 23 -12.740 1.137 5.355 1.00 0.00 O ATOM 0 H ASP A 23 -8.054 0.780 4.877 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.755 -1.183 6.033 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.030 1.392 5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -10.770 0.491 3.800 1.00 0.00 H new ATOM 343 N ASP A 24 -8.938 -1.359 2.847 1.00 0.00 N ATOM 344 CA ASP A 24 -8.963 -2.196 1.659 1.00 0.00 C ATOM 345 C ASP A 24 -8.340 -3.555 1.986 1.00 0.00 C ATOM 346 O ASP A 24 -8.935 -4.596 1.714 1.00 0.00 O ATOM 347 CB ASP A 24 -8.154 -1.566 0.524 1.00 0.00 C ATOM 348 CG ASP A 24 -8.285 -2.266 -0.830 1.00 0.00 C ATOM 349 OD1 ASP A 24 -9.443 -2.435 -1.271 1.00 0.00 O ATOM 350 OD2 ASP A 24 -7.226 -2.616 -1.393 1.00 0.00 O ATOM 0 H ASP A 24 -8.333 -0.541 2.779 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.001 -2.305 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.464 -0.527 0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.102 -1.555 0.810 1.00 0.00 H new ATOM 355 N PHE A 25 -7.149 -3.500 2.565 1.00 0.00 N ATOM 356 CA PHE A 25 -6.439 -4.714 2.931 1.00 0.00 C ATOM 357 C PHE A 25 -7.295 -5.596 3.842 1.00 0.00 C ATOM 358 O PHE A 25 -7.412 -6.799 3.616 1.00 0.00 O ATOM 359 CB PHE A 25 -5.182 -4.285 3.691 1.00 0.00 C ATOM 360 CG PHE A 25 -4.070 -3.736 2.795 1.00 0.00 C ATOM 361 CD1 PHE A 25 -3.648 -4.454 1.719 1.00 0.00 C ATOM 362 CD2 PHE A 25 -3.504 -2.532 3.073 1.00 0.00 C ATOM 363 CE1 PHE A 25 -2.616 -3.945 0.887 1.00 0.00 C ATOM 364 CE2 PHE A 25 -2.472 -2.023 2.241 1.00 0.00 C ATOM 365 CZ PHE A 25 -2.049 -2.740 1.166 1.00 0.00 C ATOM 0 H PHE A 25 -6.658 -2.634 2.789 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.198 -5.288 2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.454 -3.524 4.422 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.797 -5.139 4.248 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.098 -5.411 1.498 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.839 -1.962 3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.281 -4.514 0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.023 -1.066 2.462 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.263 -2.353 0.534 1.00 0.00 H new ATOM 375 N LYS A 26 -7.872 -4.963 4.853 1.00 0.00 N ATOM 376 CA LYS A 26 -8.714 -5.675 5.800 1.00 0.00 C ATOM 377 C LYS A 26 -9.727 -6.528 5.033 1.00 0.00 C ATOM 378 O LYS A 26 -9.859 -7.723 5.292 1.00 0.00 O ATOM 379 CB LYS A 26 -9.355 -4.699 6.788 1.00 0.00 C ATOM 380 CG LYS A 26 -8.484 -4.529 8.034 1.00 0.00 C ATOM 381 CD LYS A 26 -8.275 -5.868 8.744 1.00 0.00 C ATOM 382 CE LYS A 26 -8.145 -5.673 10.256 1.00 0.00 C ATOM 383 NZ LYS A 26 -9.056 -6.590 10.976 1.00 0.00 N ATOM 0 H LYS A 26 -7.773 -3.965 5.037 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.115 -6.356 6.405 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.500 -3.732 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.341 -5.063 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.519 -4.108 7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.954 -3.821 8.717 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.113 -6.532 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.378 -6.352 8.358 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.116 -5.856 10.565 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.377 -4.641 10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.956 -6.445 12.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.038 -6.396 10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.816 -7.574 10.740 1.00 0.00 H new ATOM 397 N THR A 27 -10.416 -5.880 4.105 1.00 0.00 N ATOM 398 CA THR A 27 -11.413 -6.564 3.299 1.00 0.00 C ATOM 399 C THR A 27 -10.743 -7.575 2.366 1.00 0.00 C ATOM 400 O THR A 27 -11.282 -8.653 2.124 1.00 0.00 O ATOM 401 CB THR A 27 -12.231 -5.504 2.559 1.00 0.00 C ATOM 402 OG1 THR A 27 -13.492 -5.513 3.223 1.00 0.00 O ATOM 403 CG2 THR A 27 -12.563 -5.916 1.124 1.00 0.00 C ATOM 0 H THR A 27 -10.303 -4.889 3.893 1.00 0.00 H new ATOM 0 HA THR A 27 -12.094 -7.145 3.921 1.00 0.00 H new ATOM 0 HB THR A 27 -11.680 -4.563 2.548 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.085 -4.852 2.808 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.144 -5.128 0.645 1.00 0.00 H new ATOM 0 HG22 THR A 27 -11.639 -6.075 0.568 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.143 -6.839 1.135 1.00 0.00 H new ATOM 411 N MET A 28 -9.577 -7.190 1.869 1.00 0.00 N ATOM 412 CA MET A 28 -8.827 -8.049 0.968 1.00 0.00 C ATOM 413 C MET A 28 -8.382 -9.330 1.676 1.00 0.00 C ATOM 414 O MET A 28 -8.563 -10.428 1.152 1.00 0.00 O ATOM 415 CB MET A 28 -7.599 -7.298 0.450 1.00 0.00 C ATOM 416 CG MET A 28 -8.010 -6.106 -0.416 1.00 0.00 C ATOM 417 SD MET A 28 -7.689 -6.462 -2.136 1.00 0.00 S ATOM 418 CE MET A 28 -5.912 -6.626 -2.093 1.00 0.00 C ATOM 0 H MET A 28 -9.133 -6.295 2.073 1.00 0.00 H new ATOM 0 HA MET A 28 -9.474 -8.323 0.135 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.999 -6.951 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.972 -7.975 -0.131 1.00 0.00 H new ATOM 0 HG2 MET A 28 -9.069 -5.889 -0.272 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.458 -5.217 -0.111 1.00 0.00 H new ATOM 0 HE1 MET A 28 -5.478 -6.114 -2.952 1.00 0.00 H new ATOM 0 HE2 MET A 28 -5.528 -6.183 -1.174 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.643 -7.682 -2.126 1.00 0.00 H new ATOM 428 N PHE A 29 -7.808 -9.148 2.856 1.00 0.00 N ATOM 429 CA PHE A 29 -7.336 -10.275 3.641 1.00 0.00 C ATOM 430 C PHE A 29 -7.838 -10.187 5.084 1.00 0.00 C ATOM 431 O PHE A 29 -7.287 -9.441 5.892 1.00 0.00 O ATOM 432 CB PHE A 29 -5.807 -10.211 3.641 1.00 0.00 C ATOM 433 CG PHE A 29 -5.188 -10.133 2.244 1.00 0.00 C ATOM 434 CD1 PHE A 29 -5.126 -8.940 1.593 1.00 0.00 C ATOM 435 CD2 PHE A 29 -4.701 -11.257 1.652 1.00 0.00 C ATOM 436 CE1 PHE A 29 -4.552 -8.868 0.297 1.00 0.00 C ATOM 437 CE2 PHE A 29 -4.126 -11.184 0.356 1.00 0.00 C ATOM 438 CZ PHE A 29 -4.064 -9.991 -0.295 1.00 0.00 C ATOM 0 H PHE A 29 -7.659 -8.236 3.288 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.705 -11.207 3.213 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.490 -9.342 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.417 -11.091 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.514 -8.048 2.062 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.752 -12.205 2.168 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -4.503 -7.921 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.738 -12.076 -0.113 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.628 -9.936 -1.281 1.00 0.00 H new ATOM 448 N PRO A 30 -8.905 -10.981 5.371 1.00 0.00 N ATOM 449 CA PRO A 30 -9.487 -11.000 6.702 1.00 0.00 C ATOM 450 C PRO A 30 -8.601 -11.779 7.677 1.00 0.00 C ATOM 451 O PRO A 30 -8.496 -11.420 8.848 1.00 0.00 O ATOM 452 CB PRO A 30 -10.862 -11.622 6.521 1.00 0.00 C ATOM 453 CG PRO A 30 -10.818 -12.350 5.188 1.00 0.00 C ATOM 454 CD PRO A 30 -9.582 -11.877 4.439 1.00 0.00 C ATOM 0 HA PRO A 30 -9.569 -10.005 7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.089 -12.311 7.335 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.640 -10.858 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.781 -13.428 5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.718 -12.142 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.943 -12.715 4.160 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.851 -11.361 3.517 1.00 0.00 H new ATOM 462 N ASN A 31 -7.987 -12.831 7.156 1.00 0.00 N ATOM 463 CA ASN A 31 -7.114 -13.664 7.966 1.00 0.00 C ATOM 464 C ASN A 31 -5.874 -12.861 8.363 1.00 0.00 C ATOM 465 O ASN A 31 -5.303 -13.081 9.430 1.00 0.00 O ATOM 466 CB ASN A 31 -6.650 -14.896 7.186 1.00 0.00 C ATOM 467 CG ASN A 31 -7.731 -15.979 7.177 1.00 0.00 C ATOM 468 OD1 ASN A 31 -8.834 -15.788 6.692 1.00 0.00 O ATOM 469 ND2 ASN A 31 -7.354 -17.124 7.740 1.00 0.00 N ATOM 0 H ASN A 31 -8.077 -13.126 6.184 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.673 -13.983 8.846 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.406 -14.612 6.162 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.738 -15.291 7.633 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.004 -17.909 7.784 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -6.415 -17.217 8.127 1.00 0.00 H new ATOM 476 N MET A 32 -5.494 -11.946 7.483 1.00 0.00 N ATOM 477 CA MET A 32 -4.332 -11.109 7.728 1.00 0.00 C ATOM 478 C MET A 32 -4.468 -10.357 9.053 1.00 0.00 C ATOM 479 O MET A 32 -5.580 -10.111 9.521 1.00 0.00 O ATOM 480 CB MET A 32 -4.175 -10.105 6.585 1.00 0.00 C ATOM 481 CG MET A 32 -3.287 -10.673 5.475 1.00 0.00 C ATOM 482 SD MET A 32 -1.651 -10.998 6.109 1.00 0.00 S ATOM 483 CE MET A 32 -1.045 -12.107 4.848 1.00 0.00 C ATOM 0 H MET A 32 -5.970 -11.766 6.599 1.00 0.00 H new ATOM 0 HA MET A 32 -3.452 -11.750 7.784 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.155 -9.854 6.179 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.741 -9.180 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.723 -11.592 5.083 1.00 0.00 H new ATOM 0 HG3 MET A 32 -3.231 -9.968 4.646 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.033 -12.228 4.958 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.532 -13.077 4.952 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.265 -11.694 3.864 1.00 0.00 H new ATOM 493 N ASP A 33 -3.323 -10.011 9.622 1.00 0.00 N ATOM 494 CA ASP A 33 -3.300 -9.291 10.884 1.00 0.00 C ATOM 495 C ASP A 33 -2.979 -7.819 10.621 1.00 0.00 C ATOM 496 O ASP A 33 -2.042 -7.505 9.888 1.00 0.00 O ATOM 497 CB ASP A 33 -2.225 -9.850 11.817 1.00 0.00 C ATOM 498 CG ASP A 33 -2.752 -10.471 13.113 1.00 0.00 C ATOM 499 OD1 ASP A 33 -3.526 -9.773 13.803 1.00 0.00 O ATOM 500 OD2 ASP A 33 -2.368 -11.629 13.384 1.00 0.00 O ATOM 0 H ASP A 33 -2.403 -10.216 9.232 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.278 -9.402 11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.653 -10.604 11.277 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.533 -9.047 12.072 1.00 0.00 H new ATOM 505 N TYR A 34 -3.775 -6.954 11.232 1.00 0.00 N ATOM 506 CA TYR A 34 -3.588 -5.522 11.073 1.00 0.00 C ATOM 507 C TYR A 34 -2.110 -5.146 11.198 1.00 0.00 C ATOM 508 O TYR A 34 -1.659 -4.176 10.590 1.00 0.00 O ATOM 509 CB TYR A 34 -4.367 -4.865 12.214 1.00 0.00 C ATOM 510 CG TYR A 34 -4.728 -3.400 11.959 1.00 0.00 C ATOM 511 CD1 TYR A 34 -5.732 -3.082 11.068 1.00 0.00 C ATOM 512 CD2 TYR A 34 -4.048 -2.398 12.620 1.00 0.00 C ATOM 513 CE1 TYR A 34 -6.071 -1.703 10.828 1.00 0.00 C ATOM 514 CE2 TYR A 34 -4.387 -1.019 12.380 1.00 0.00 C ATOM 515 CZ TYR A 34 -5.382 -0.740 11.496 1.00 0.00 C ATOM 516 OH TYR A 34 -5.702 0.563 11.269 1.00 0.00 O ATOM 0 H TYR A 34 -4.552 -7.218 11.839 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.932 -5.197 10.091 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.283 -5.429 12.387 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -3.776 -4.929 13.128 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.264 -3.867 10.551 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.262 -2.648 13.317 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.855 -1.440 10.133 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -3.863 -0.225 12.890 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.292 0.859 10.429 1.00 0.00 H new ATOM 526 N ASP A 35 -1.397 -5.933 11.990 1.00 0.00 N ATOM 527 CA ASP A 35 0.021 -5.694 12.202 1.00 0.00 C ATOM 528 C ASP A 35 0.797 -6.112 10.952 1.00 0.00 C ATOM 529 O ASP A 35 1.723 -5.421 10.531 1.00 0.00 O ATOM 530 CB ASP A 35 0.547 -6.514 13.381 1.00 0.00 C ATOM 531 CG ASP A 35 1.176 -5.694 14.510 1.00 0.00 C ATOM 532 OD1 ASP A 35 1.106 -4.450 14.414 1.00 0.00 O ATOM 533 OD2 ASP A 35 1.712 -6.331 15.443 1.00 0.00 O ATOM 0 H ASP A 35 -1.774 -6.736 12.493 1.00 0.00 H new ATOM 0 HA ASP A 35 0.156 -4.633 12.411 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.275 -7.100 13.792 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.288 -7.222 13.010 1.00 0.00 H new ATOM 538 N ILE A 36 0.390 -7.242 10.392 1.00 0.00 N ATOM 539 CA ILE A 36 1.036 -7.761 9.198 1.00 0.00 C ATOM 540 C ILE A 36 0.749 -6.826 8.022 1.00 0.00 C ATOM 541 O ILE A 36 1.672 -6.366 7.351 1.00 0.00 O ATOM 542 CB ILE A 36 0.615 -9.211 8.949 1.00 0.00 C ATOM 543 CG1 ILE A 36 0.933 -10.090 10.160 1.00 0.00 C ATOM 544 CG2 ILE A 36 1.248 -9.752 7.665 1.00 0.00 C ATOM 545 CD1 ILE A 36 2.268 -9.692 10.792 1.00 0.00 C ATOM 0 H ILE A 36 -0.379 -7.813 10.743 1.00 0.00 H new ATOM 0 HA ILE A 36 2.118 -7.786 9.329 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.466 -9.234 8.810 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.136 -10.000 10.898 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.969 -11.136 9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.933 -10.784 7.511 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.929 -9.145 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.334 -9.713 7.750 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.469 -10.333 11.651 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.066 -9.806 10.059 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.221 -8.653 11.118 1.00 0.00 H new ATOM 557 N ILE A 37 -0.533 -6.573 7.807 1.00 0.00 N ATOM 558 CA ILE A 37 -0.953 -5.701 6.723 1.00 0.00 C ATOM 559 C ILE A 37 -0.083 -4.442 6.721 1.00 0.00 C ATOM 560 O ILE A 37 0.468 -4.066 5.687 1.00 0.00 O ATOM 561 CB ILE A 37 -2.452 -5.412 6.818 1.00 0.00 C ATOM 562 CG1 ILE A 37 -3.273 -6.669 6.523 1.00 0.00 C ATOM 563 CG2 ILE A 37 -2.844 -4.246 5.909 1.00 0.00 C ATOM 564 CD1 ILE A 37 -4.462 -6.785 7.479 1.00 0.00 C ATOM 0 H ILE A 37 -1.296 -6.957 8.365 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.807 -6.192 5.761 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.678 -5.113 7.842 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.631 -6.641 5.494 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.640 -7.551 6.616 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.915 -4.061 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.296 -3.352 6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -2.601 -4.493 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.028 -7.687 7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.100 -6.838 8.506 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.106 -5.913 7.366 1.00 0.00 H new ATOM 576 N GLU A 38 0.014 -3.826 7.890 1.00 0.00 N ATOM 577 CA GLU A 38 0.807 -2.618 8.036 1.00 0.00 C ATOM 578 C GLU A 38 2.293 -2.934 7.854 1.00 0.00 C ATOM 579 O GLU A 38 2.991 -2.245 7.111 1.00 0.00 O ATOM 580 CB GLU A 38 0.550 -1.953 9.389 1.00 0.00 C ATOM 581 CG GLU A 38 -0.850 -1.337 9.440 1.00 0.00 C ATOM 582 CD GLU A 38 -0.829 0.014 10.158 1.00 0.00 C ATOM 583 OE1 GLU A 38 0.011 0.157 11.073 1.00 0.00 O ATOM 584 OE2 GLU A 38 -1.652 0.873 9.776 1.00 0.00 O ATOM 0 H GLU A 38 -0.444 -4.141 8.745 1.00 0.00 H new ATOM 0 HA GLU A 38 0.507 -1.914 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.657 -2.689 10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.298 -1.180 9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.232 -1.209 8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.531 -2.015 9.954 1.00 0.00 H new ATOM 591 N CYS A 39 2.733 -3.975 8.545 1.00 0.00 N ATOM 592 CA CYS A 39 4.124 -4.390 8.469 1.00 0.00 C ATOM 593 C CYS A 39 4.562 -4.334 7.004 1.00 0.00 C ATOM 594 O CYS A 39 5.644 -3.836 6.695 1.00 0.00 O ATOM 595 CB CYS A 39 4.333 -5.780 9.074 1.00 0.00 C ATOM 596 SG CYS A 39 4.553 -5.646 10.886 1.00 0.00 S ATOM 0 H CYS A 39 2.151 -4.544 9.160 1.00 0.00 H new ATOM 0 HA CYS A 39 4.742 -3.712 9.058 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.477 -6.416 8.849 1.00 0.00 H new ATOM 0 HB3 CYS A 39 5.208 -6.253 8.627 1.00 0.00 H new ATOM 0 HG CYS A 39 3.394 -5.491 11.454 1.00 0.00 H new ATOM 602 N VAL A 40 3.700 -4.851 6.141 1.00 0.00 N ATOM 603 CA VAL A 40 3.986 -4.866 4.716 1.00 0.00 C ATOM 604 C VAL A 40 4.088 -3.427 4.206 1.00 0.00 C ATOM 605 O VAL A 40 5.056 -3.069 3.537 1.00 0.00 O ATOM 606 CB VAL A 40 2.926 -5.687 3.979 1.00 0.00 C ATOM 607 CG1 VAL A 40 3.345 -5.949 2.531 1.00 0.00 C ATOM 608 CG2 VAL A 40 2.642 -6.999 4.713 1.00 0.00 C ATOM 0 H VAL A 40 2.804 -5.263 6.401 1.00 0.00 H new ATOM 0 HA VAL A 40 4.944 -5.348 4.523 1.00 0.00 H new ATOM 0 HB VAL A 40 2.004 -5.106 3.961 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.574 -6.534 2.029 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.474 -4.999 2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.285 -6.500 2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.885 -7.564 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.558 -7.586 4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.280 -6.783 5.718 1.00 0.00 H new ATOM 618 N LEU A 41 3.076 -2.640 4.542 1.00 0.00 N ATOM 619 CA LEU A 41 3.039 -1.249 4.126 1.00 0.00 C ATOM 620 C LEU A 41 4.417 -0.619 4.345 1.00 0.00 C ATOM 621 O LEU A 41 4.977 -0.011 3.435 1.00 0.00 O ATOM 622 CB LEU A 41 1.904 -0.507 4.835 1.00 0.00 C ATOM 623 CG LEU A 41 0.493 -0.789 4.317 1.00 0.00 C ATOM 624 CD1 LEU A 41 -0.553 -0.022 5.130 1.00 0.00 C ATOM 625 CD2 LEU A 41 0.388 -0.489 2.820 1.00 0.00 C ATOM 0 H LEU A 41 2.275 -2.940 5.098 1.00 0.00 H new ATOM 0 HA LEU A 41 2.820 -1.176 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.938 -0.759 5.895 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.091 0.564 4.756 1.00 0.00 H new ATOM 0 HG LEU A 41 0.287 -1.851 4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.548 -0.240 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.497 -0.327 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.360 1.048 5.054 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.625 -0.698 2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.622 0.561 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.092 -1.116 2.273 1.00 0.00 H new ATOM 637 N ARG A 42 4.922 -0.787 5.559 1.00 0.00 N ATOM 638 CA ARG A 42 6.223 -0.243 5.909 1.00 0.00 C ATOM 639 C ARG A 42 7.336 -1.074 5.267 1.00 0.00 C ATOM 640 O ARG A 42 8.243 -0.526 4.643 1.00 0.00 O ATOM 641 CB ARG A 42 6.421 -0.223 7.426 1.00 0.00 C ATOM 642 CG ARG A 42 5.196 0.362 8.131 1.00 0.00 C ATOM 643 CD ARG A 42 5.612 1.311 9.256 1.00 0.00 C ATOM 644 NE ARG A 42 4.421 1.744 10.020 1.00 0.00 N ATOM 645 CZ ARG A 42 4.423 2.744 10.912 1.00 0.00 C ATOM 646 NH1 ARG A 42 5.553 3.420 11.158 1.00 0.00 N ATOM 647 NH2 ARG A 42 3.294 3.068 11.558 1.00 0.00 N ATOM 0 H ARG A 42 4.454 -1.292 6.312 1.00 0.00 H new ATOM 0 HA ARG A 42 6.267 0.780 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.603 -1.236 7.786 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.304 0.367 7.673 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.578 0.896 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.586 -0.445 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.319 0.813 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.123 2.179 8.840 1.00 0.00 H new ATOM 0 HE ARG A 42 3.543 1.250 9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.412 3.174 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.554 4.181 11.837 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.434 2.553 11.371 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.295 3.829 12.237 1.00 0.00 H new ATOM 661 N ALA A 43 7.231 -2.383 5.443 1.00 0.00 N ATOM 662 CA ALA A 43 8.217 -3.295 4.889 1.00 0.00 C ATOM 663 C ALA A 43 8.464 -2.941 3.421 1.00 0.00 C ATOM 664 O ALA A 43 9.569 -3.124 2.912 1.00 0.00 O ATOM 665 CB ALA A 43 7.738 -4.737 5.069 1.00 0.00 C ATOM 0 H ALA A 43 6.477 -2.834 5.962 1.00 0.00 H new ATOM 0 HA ALA A 43 9.167 -3.200 5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 43 8.478 -5.421 4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.606 -4.947 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.788 -4.872 4.552 1.00 0.00 H new ATOM 671 N ASN A 44 7.417 -2.441 2.782 1.00 0.00 N ATOM 672 CA ASN A 44 7.507 -2.060 1.383 1.00 0.00 C ATOM 673 C ASN A 44 7.815 -0.564 1.284 1.00 0.00 C ATOM 674 O ASN A 44 8.391 -0.109 0.298 1.00 0.00 O ATOM 675 CB ASN A 44 6.186 -2.319 0.656 1.00 0.00 C ATOM 676 CG ASN A 44 5.984 -3.814 0.403 1.00 0.00 C ATOM 677 OD1 ASN A 44 5.762 -4.524 1.505 1.00 0.00 O flip ATOM 678 ND2 ASN A 44 6.026 -4.292 -0.719 1.00 0.00 N flip ATOM 0 H ASN A 44 6.502 -2.291 3.207 1.00 0.00 H new ATOM 0 HA ASN A 44 8.296 -2.655 0.922 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.358 -1.932 1.250 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.177 -1.781 -0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.201 -3.690 -1.524 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.886 -5.294 -0.852 1.00 0.00 H new ATOM 685 N SER A 45 7.416 0.159 2.321 1.00 0.00 N ATOM 686 CA SER A 45 7.643 1.594 2.364 1.00 0.00 C ATOM 687 C SER A 45 6.508 2.324 1.642 1.00 0.00 C ATOM 688 O SER A 45 6.637 2.673 0.470 1.00 0.00 O ATOM 689 CB SER A 45 8.991 1.957 1.738 1.00 0.00 C ATOM 690 OG SER A 45 9.661 2.980 2.471 1.00 0.00 O ATOM 0 H SER A 45 6.937 -0.222 3.137 1.00 0.00 H new ATOM 0 HA SER A 45 7.662 1.907 3.408 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.622 1.069 1.695 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.837 2.288 0.711 1.00 0.00 H new ATOM 0 HG SER A 45 10.518 3.183 2.041 1.00 0.00 H new ATOM 696 N GLY A 46 5.423 2.533 2.373 1.00 0.00 N ATOM 697 CA GLY A 46 4.267 3.216 1.817 1.00 0.00 C ATOM 698 C GLY A 46 4.048 2.821 0.355 1.00 0.00 C ATOM 699 O GLY A 46 4.432 3.556 -0.554 1.00 0.00 O ATOM 0 H GLY A 46 5.320 2.242 3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.380 2.971 2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.408 4.294 1.889 1.00 0.00 H new ATOM 703 N ALA A 47 3.432 1.663 0.174 1.00 0.00 N ATOM 704 CA ALA A 47 3.157 1.162 -1.162 1.00 0.00 C ATOM 705 C ALA A 47 2.052 0.107 -1.090 1.00 0.00 C ATOM 706 O ALA A 47 2.313 -1.049 -0.760 1.00 0.00 O ATOM 707 CB ALA A 47 4.446 0.615 -1.778 1.00 0.00 C ATOM 0 H ALA A 47 3.115 1.057 0.930 1.00 0.00 H new ATOM 0 HA ALA A 47 2.803 1.966 -1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.239 0.239 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.188 1.411 -1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.830 -0.196 -1.159 1.00 0.00 H new ATOM 713 N VAL A 48 0.840 0.542 -1.403 1.00 0.00 N ATOM 714 CA VAL A 48 -0.306 -0.351 -1.377 1.00 0.00 C ATOM 715 C VAL A 48 -0.199 -1.345 -2.536 1.00 0.00 C ATOM 716 O VAL A 48 -0.126 -2.553 -2.318 1.00 0.00 O ATOM 717 CB VAL A 48 -1.602 0.460 -1.403 1.00 0.00 C ATOM 718 CG1 VAL A 48 -2.825 -0.460 -1.411 1.00 0.00 C ATOM 719 CG2 VAL A 48 -1.660 1.439 -0.229 1.00 0.00 C ATOM 0 H VAL A 48 0.627 1.501 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.319 -0.929 -0.453 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.614 1.042 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.733 0.142 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.795 -1.098 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.819 -1.081 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.592 2.003 -0.271 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.613 0.886 0.709 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.816 2.127 -0.287 1.00 0.00 H new ATOM 729 N ASP A 49 -0.193 -0.798 -3.743 1.00 0.00 N ATOM 730 CA ASP A 49 -0.097 -1.621 -4.937 1.00 0.00 C ATOM 731 C ASP A 49 0.930 -2.732 -4.703 1.00 0.00 C ATOM 732 O ASP A 49 0.718 -3.873 -5.109 1.00 0.00 O ATOM 733 CB ASP A 49 0.365 -0.796 -6.139 1.00 0.00 C ATOM 734 CG ASP A 49 -0.748 -0.049 -6.876 1.00 0.00 C ATOM 735 OD1 ASP A 49 -1.694 -0.735 -7.322 1.00 0.00 O ATOM 736 OD2 ASP A 49 -0.629 1.191 -6.978 1.00 0.00 O ATOM 0 H ASP A 49 -0.253 0.205 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.084 -2.035 -5.142 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.106 -0.072 -5.800 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.866 -1.459 -6.844 1.00 0.00 H new ATOM 741 N ALA A 50 2.021 -2.358 -4.051 1.00 0.00 N ATOM 742 CA ALA A 50 3.081 -3.308 -3.759 1.00 0.00 C ATOM 743 C ALA A 50 2.686 -4.147 -2.543 1.00 0.00 C ATOM 744 O ALA A 50 2.625 -5.373 -2.624 1.00 0.00 O ATOM 745 CB ALA A 50 4.396 -2.556 -3.547 1.00 0.00 C ATOM 0 H ALA A 50 2.194 -1.410 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 50 3.227 -3.990 -4.597 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.191 -3.268 -3.328 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.646 -1.999 -4.450 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.289 -1.864 -2.712 1.00 0.00 H new ATOM 751 N THR A 51 2.429 -3.454 -1.443 1.00 0.00 N ATOM 752 CA THR A 51 2.043 -4.121 -0.211 1.00 0.00 C ATOM 753 C THR A 51 0.989 -5.193 -0.494 1.00 0.00 C ATOM 754 O THR A 51 0.872 -6.165 0.252 1.00 0.00 O ATOM 755 CB THR A 51 1.572 -3.052 0.777 1.00 0.00 C ATOM 756 OG1 THR A 51 2.771 -2.392 1.172 1.00 0.00 O ATOM 757 CG2 THR A 51 1.032 -3.653 2.076 1.00 0.00 C ATOM 0 H THR A 51 2.481 -2.437 -1.379 1.00 0.00 H new ATOM 0 HA THR A 51 2.886 -4.648 0.235 1.00 0.00 H new ATOM 0 HB THR A 51 0.799 -2.442 0.310 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.045 -1.764 0.471 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.711 -2.852 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.184 -4.300 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.815 -4.236 2.561 1.00 0.00 H new ATOM 765 N ILE A 52 0.249 -4.982 -1.572 1.00 0.00 N ATOM 766 CA ILE A 52 -0.791 -5.918 -1.962 1.00 0.00 C ATOM 767 C ILE A 52 -0.145 -7.218 -2.448 1.00 0.00 C ATOM 768 O ILE A 52 -0.303 -8.265 -1.823 1.00 0.00 O ATOM 769 CB ILE A 52 -1.731 -5.279 -2.986 1.00 0.00 C ATOM 770 CG1 ILE A 52 -2.625 -4.226 -2.327 1.00 0.00 C ATOM 771 CG2 ILE A 52 -2.547 -6.344 -3.721 1.00 0.00 C ATOM 772 CD1 ILE A 52 -3.379 -3.411 -3.379 1.00 0.00 C ATOM 0 H ILE A 52 0.349 -4.175 -2.188 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.415 -6.172 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.125 -4.766 -3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.337 -4.714 -1.661 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.018 -3.561 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.207 -5.863 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.873 -7.023 -4.242 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.144 -6.906 -3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.007 -2.670 -2.884 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.664 -2.905 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.004 -4.076 -3.975 1.00 0.00 H new ATOM 784 N ASP A 53 0.570 -7.107 -3.558 1.00 0.00 N ATOM 785 CA ASP A 53 1.240 -8.260 -4.135 1.00 0.00 C ATOM 786 C ASP A 53 1.848 -9.104 -3.014 1.00 0.00 C ATOM 787 O ASP A 53 1.893 -10.330 -3.109 1.00 0.00 O ATOM 788 CB ASP A 53 2.373 -7.828 -5.069 1.00 0.00 C ATOM 789 CG ASP A 53 2.779 -8.868 -6.115 1.00 0.00 C ATOM 790 OD1 ASP A 53 1.984 -9.810 -6.318 1.00 0.00 O ATOM 791 OD2 ASP A 53 3.876 -8.696 -6.689 1.00 0.00 O ATOM 0 H ASP A 53 0.700 -6.236 -4.073 1.00 0.00 H new ATOM 0 HA ASP A 53 0.503 -8.830 -4.701 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.072 -6.915 -5.583 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.247 -7.581 -4.466 1.00 0.00 H new ATOM 796 N GLN A 54 2.301 -8.416 -1.976 1.00 0.00 N ATOM 797 CA GLN A 54 2.904 -9.087 -0.838 1.00 0.00 C ATOM 798 C GLN A 54 1.901 -10.048 -0.195 1.00 0.00 C ATOM 799 O GLN A 54 2.045 -11.264 -0.303 1.00 0.00 O ATOM 800 CB GLN A 54 3.425 -8.074 0.184 1.00 0.00 C ATOM 801 CG GLN A 54 4.953 -8.101 0.252 1.00 0.00 C ATOM 802 CD GLN A 54 5.461 -9.499 0.610 1.00 0.00 C ATOM 803 OE1 GLN A 54 5.705 -10.336 -0.243 1.00 0.00 O ATOM 804 NE2 GLN A 54 5.607 -9.703 1.917 1.00 0.00 N ATOM 0 H GLN A 54 2.262 -7.400 -1.900 1.00 0.00 H new ATOM 0 HA GLN A 54 3.756 -9.666 -1.193 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.087 -7.073 -0.085 1.00 0.00 H new ATOM 0 HB3 GLN A 54 3.010 -8.297 1.167 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.369 -7.794 -0.708 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.300 -7.383 0.995 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.384 -8.958 2.577 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.942 -10.604 2.258 1.00 0.00 H new ATOM 813 N LEU A 55 0.908 -9.464 0.459 1.00 0.00 N ATOM 814 CA LEU A 55 -0.119 -10.253 1.119 1.00 0.00 C ATOM 815 C LEU A 55 -0.644 -11.313 0.148 1.00 0.00 C ATOM 816 O LEU A 55 -0.914 -12.445 0.547 1.00 0.00 O ATOM 817 CB LEU A 55 -1.211 -9.344 1.686 1.00 0.00 C ATOM 818 CG LEU A 55 -0.744 -8.267 2.667 1.00 0.00 C ATOM 819 CD1 LEU A 55 -1.872 -7.279 2.974 1.00 0.00 C ATOM 820 CD2 LEU A 55 -0.171 -8.895 3.939 1.00 0.00 C ATOM 0 H LEU A 55 0.792 -8.454 0.546 1.00 0.00 H new ATOM 0 HA LEU A 55 0.299 -10.783 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.717 -8.855 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.951 -9.968 2.187 1.00 0.00 H new ATOM 0 HG LEU A 55 0.060 -7.702 2.196 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.514 -6.524 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.193 -6.796 2.051 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.713 -7.813 3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.154 -8.108 4.619 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.938 -9.500 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.680 -9.526 3.682 1.00 0.00 H new ATOM 832 N LEU A 56 -0.773 -10.909 -1.107 1.00 0.00 N ATOM 833 CA LEU A 56 -1.261 -11.810 -2.137 1.00 0.00 C ATOM 834 C LEU A 56 -0.509 -13.139 -2.043 1.00 0.00 C ATOM 835 O LEU A 56 -1.105 -14.174 -1.749 1.00 0.00 O ATOM 836 CB LEU A 56 -1.171 -11.148 -3.514 1.00 0.00 C ATOM 837 CG LEU A 56 -2.389 -10.328 -3.944 1.00 0.00 C ATOM 838 CD1 LEU A 56 -2.005 -9.290 -5.001 1.00 0.00 C ATOM 839 CD2 LEU A 56 -3.523 -11.239 -4.420 1.00 0.00 C ATOM 0 H LEU A 56 -0.548 -9.969 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.318 -12.029 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.297 -10.497 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.000 -11.925 -4.259 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.758 -9.782 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.889 -8.721 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.255 -8.613 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.597 -9.796 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.377 -10.631 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.182 -11.830 -5.270 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.819 -11.905 -3.610 1.00 0.00 H new ATOM 851 N GLN A 57 0.789 -13.067 -2.299 1.00 0.00 N ATOM 852 CA GLN A 57 1.628 -14.252 -2.248 1.00 0.00 C ATOM 853 C GLN A 57 1.518 -14.922 -0.876 1.00 0.00 C ATOM 854 O GLN A 57 1.209 -16.109 -0.784 1.00 0.00 O ATOM 855 CB GLN A 57 3.083 -13.909 -2.575 1.00 0.00 C ATOM 856 CG GLN A 57 3.253 -13.604 -4.064 1.00 0.00 C ATOM 857 CD GLN A 57 4.588 -12.906 -4.333 1.00 0.00 C ATOM 858 OE1 GLN A 57 5.588 -13.150 -3.678 1.00 0.00 O ATOM 859 NE2 GLN A 57 4.548 -12.026 -5.329 1.00 0.00 N ATOM 0 H GLN A 57 1.280 -12.207 -2.542 1.00 0.00 H new ATOM 0 HA GLN A 57 1.276 -14.955 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.399 -13.048 -1.985 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.728 -14.741 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.201 -14.530 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.433 -12.972 -4.405 1.00 0.00 H new ATOM 0 HE21 GLN A 57 3.677 -11.870 -5.837 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.388 -11.507 -5.585 1.00 0.00 H new ATOM 868 N MET A 58 1.777 -14.131 0.155 1.00 0.00 N ATOM 869 CA MET A 58 1.711 -14.632 1.517 1.00 0.00 C ATOM 870 C MET A 58 0.535 -15.596 1.690 1.00 0.00 C ATOM 871 O MET A 58 0.700 -16.692 2.223 1.00 0.00 O ATOM 872 CB MET A 58 1.555 -13.458 2.486 1.00 0.00 C ATOM 873 CG MET A 58 2.863 -12.675 2.613 1.00 0.00 C ATOM 874 SD MET A 58 3.177 -12.284 4.326 1.00 0.00 S ATOM 875 CE MET A 58 3.407 -10.518 4.204 1.00 0.00 C ATOM 0 H MET A 58 2.033 -13.147 0.074 1.00 0.00 H new ATOM 0 HA MET A 58 2.634 -15.171 1.731 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.763 -12.796 2.136 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.252 -13.828 3.465 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.688 -13.261 2.208 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.806 -11.758 2.027 1.00 0.00 H new ATOM 0 HE1 MET A 58 4.443 -10.269 4.435 1.00 0.00 H new ATOM 0 HE2 MET A 58 3.172 -10.190 3.192 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.747 -10.015 4.911 1.00 0.00 H new ATOM 885 N ASN A 59 -0.625 -15.153 1.230 1.00 0.00 N ATOM 886 CA ASN A 59 -1.827 -15.963 1.327 1.00 0.00 C ATOM 887 C ASN A 59 -1.679 -17.198 0.436 1.00 0.00 C ATOM 888 O ASN A 59 -2.046 -18.302 0.833 1.00 0.00 O ATOM 889 CB ASN A 59 -3.056 -15.184 0.853 1.00 0.00 C ATOM 890 CG ASN A 59 -4.299 -15.581 1.653 1.00 0.00 C ATOM 891 OD1 ASN A 59 -4.935 -16.590 1.399 1.00 0.00 O ATOM 892 ND2 ASN A 59 -4.607 -14.732 2.630 1.00 0.00 N ATOM 0 H ASN A 59 -0.758 -14.243 0.789 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.959 -16.246 2.371 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.877 -14.114 0.960 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.225 -15.374 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.420 -14.908 3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.031 -13.905 2.788 1.00 0.00 H new ATOM 899 N LEU A 60 -1.139 -16.969 -0.753 1.00 0.00 N ATOM 900 CA LEU A 60 -0.937 -18.049 -1.703 1.00 0.00 C ATOM 901 C LEU A 60 -0.143 -19.172 -1.032 1.00 0.00 C ATOM 902 O LEU A 60 -0.665 -20.265 -0.820 1.00 0.00 O ATOM 903 CB LEU A 60 -0.291 -17.521 -2.986 1.00 0.00 C ATOM 904 CG LEU A 60 -1.137 -16.548 -3.811 1.00 0.00 C ATOM 905 CD1 LEU A 60 -0.268 -15.774 -4.804 1.00 0.00 C ATOM 906 CD2 LEU A 60 -2.290 -17.275 -4.504 1.00 0.00 C ATOM 0 H LEU A 60 -0.836 -16.051 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.894 -18.473 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.643 -17.025 -2.722 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.033 -18.372 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.579 -15.819 -3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.893 -15.090 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.488 -15.207 -4.261 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.221 -16.474 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.875 -16.560 -5.083 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.890 -18.040 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.928 -17.743 -3.754 1.00 0.00 H new ATOM 918 N GLU A 61 1.106 -18.863 -0.717 1.00 0.00 N ATOM 919 CA GLU A 61 1.978 -19.832 -0.074 1.00 0.00 C ATOM 920 C GLU A 61 2.241 -21.012 -1.012 1.00 0.00 C ATOM 921 O GLU A 61 1.689 -22.095 -0.822 1.00 0.00 O ATOM 922 CB GLU A 61 1.384 -20.307 1.253 1.00 0.00 C ATOM 923 CG GLU A 61 2.363 -20.077 2.406 1.00 0.00 C ATOM 924 CD GLU A 61 2.050 -21.002 3.584 1.00 0.00 C ATOM 925 OE1 GLU A 61 2.555 -22.145 3.557 1.00 0.00 O ATOM 926 OE2 GLU A 61 1.313 -20.545 4.484 1.00 0.00 O ATOM 0 H GLU A 61 1.535 -17.955 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 61 2.930 -19.348 0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.453 -19.775 1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.137 -21.367 1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.383 -20.252 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.310 -19.038 2.731 1.00 0.00 H new ATOM 933 N SER A 62 3.085 -20.763 -2.002 1.00 0.00 N ATOM 934 CA SER A 62 3.429 -21.791 -2.969 1.00 0.00 C ATOM 935 C SER A 62 4.647 -21.356 -3.786 1.00 0.00 C ATOM 936 O SER A 62 5.670 -22.039 -3.793 1.00 0.00 O ATOM 937 CB SER A 62 2.249 -22.092 -3.896 1.00 0.00 C ATOM 938 OG SER A 62 2.512 -23.200 -4.752 1.00 0.00 O ATOM 0 H SER A 62 3.541 -19.864 -2.155 1.00 0.00 H new ATOM 0 HA SER A 62 3.672 -22.704 -2.425 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.362 -22.299 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.029 -21.212 -4.500 1.00 0.00 H new ATOM 0 HG SER A 62 1.735 -23.361 -5.327 1.00 0.00 H new ATOM 944 N GLY A 63 4.497 -20.221 -4.454 1.00 0.00 N ATOM 945 CA GLY A 63 5.573 -19.687 -5.271 1.00 0.00 C ATOM 946 C GLY A 63 5.020 -18.991 -6.517 1.00 0.00 C ATOM 947 O GLY A 63 3.895 -18.495 -6.508 1.00 0.00 O ATOM 0 H GLY A 63 3.647 -19.657 -4.446 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.162 -18.981 -4.686 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.244 -20.493 -5.568 1.00 0.00 H new ATOM 951 N PRO A 64 5.860 -18.977 -7.587 1.00 0.00 N ATOM 952 CA PRO A 64 5.467 -18.351 -8.838 1.00 0.00 C ATOM 953 C PRO A 64 4.461 -19.221 -9.595 1.00 0.00 C ATOM 954 O PRO A 64 4.818 -19.888 -10.565 1.00 0.00 O ATOM 955 CB PRO A 64 6.766 -18.146 -9.600 1.00 0.00 C ATOM 956 CG PRO A 64 7.779 -19.079 -8.957 1.00 0.00 C ATOM 957 CD PRO A 64 7.200 -19.555 -7.635 1.00 0.00 C ATOM 0 HA PRO A 64 4.953 -17.401 -8.690 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.639 -18.377 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.096 -17.109 -9.538 1.00 0.00 H new ATOM 0 HG2 PRO A 64 7.986 -19.927 -9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 64 8.725 -18.562 -8.796 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.164 -20.643 -7.588 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.806 -19.220 -6.794 1.00 0.00 H new ATOM 965 N SER A 65 3.224 -19.185 -9.123 1.00 0.00 N ATOM 966 CA SER A 65 2.164 -19.962 -9.743 1.00 0.00 C ATOM 967 C SER A 65 1.277 -19.051 -10.595 1.00 0.00 C ATOM 968 O SER A 65 1.131 -19.270 -11.797 1.00 0.00 O ATOM 969 CB SER A 65 1.323 -20.686 -8.689 1.00 0.00 C ATOM 970 OG SER A 65 0.816 -19.791 -7.704 1.00 0.00 O ATOM 0 H SER A 65 2.932 -18.630 -8.319 1.00 0.00 H new ATOM 0 HA SER A 65 2.622 -20.715 -10.384 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.493 -21.197 -9.176 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.929 -21.452 -8.205 1.00 0.00 H new ATOM 0 HG SER A 65 0.283 -20.291 -7.051 1.00 0.00 H new ATOM 976 N SER A 66 0.709 -18.050 -9.940 1.00 0.00 N ATOM 977 CA SER A 66 -0.159 -17.105 -10.622 1.00 0.00 C ATOM 978 C SER A 66 0.223 -15.674 -10.240 1.00 0.00 C ATOM 979 O SER A 66 0.888 -15.454 -9.229 1.00 0.00 O ATOM 980 CB SER A 66 -1.629 -17.370 -10.291 1.00 0.00 C ATOM 981 OG SER A 66 -2.507 -16.712 -11.200 1.00 0.00 O ATOM 0 H SER A 66 0.833 -17.872 -8.943 1.00 0.00 H new ATOM 0 HA SER A 66 -0.028 -17.234 -11.696 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.819 -18.443 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.839 -17.033 -9.276 1.00 0.00 H new ATOM 0 HG SER A 66 -3.436 -16.907 -10.957 1.00 0.00 H new ATOM 987 N GLY A 67 -0.215 -14.737 -11.069 1.00 0.00 N ATOM 988 CA GLY A 67 0.072 -13.333 -10.830 1.00 0.00 C ATOM 989 C GLY A 67 -1.133 -12.459 -11.186 1.00 0.00 C ATOM 990 O GLY A 67 -1.590 -12.462 -12.328 1.00 0.00 O ATOM 0 H GLY A 67 -0.766 -14.923 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.336 -13.185 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.935 -13.028 -11.423 1.00 0.00 H new TER 994 GLY A 67