USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 994 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -120:sc= -0.0683 (180deg=-0.662) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 157:sc= 1.18 USER MOD Single : A 11 LYS NZ :NH3+ 160:sc= -0.193 (180deg=-0.657) USER MOD Single : A 12 CYS SG : rot 170:sc= -1.19 USER MOD Single : A 17 ASN : amide:sc= -0.0229 X(o=-0.023,f=-0.21) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 160:sc= -0.0328 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -27:sc= 0.988 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 74:sc= 0.344 USER MOD Single : A 50 ASN : amide:sc= 0.0163 X(o=0.016,f=0.055) USER MOD Single : A 52 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.22) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.352 K(o=-0.35,f=-3.1!) USER MOD Single : A 68 TYR OH : rot 30:sc= -0.41 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot 7:sc= 0.512 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0.254 (180deg=0.249) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.331 USER MOD Single : A 84 MET CE :methyl 156:sc= -0.0034 (180deg=-0.128) USER MOD Single : A 85 SER OG : rot -172:sc= 1.17 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.0265) USER MOD Single : A 90 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.25) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -2.4 K(o=-2.4,f=-8.5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 148:sc= -0.141 (180deg=-1.52!) USER MOD Single : A 110 LYS NZ :NH3+ 147:sc= 1.15 (180deg=0.504) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 134:sc= 1.24 (180deg=0.0761) USER MOD Single : A 123 SER OG : rot -9:sc= 0.449 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.701 -5.192 5.517 1.00 0.00 N ATOM 2 CA MET A 1 13.171 -4.324 4.454 1.00 0.00 C ATOM 3 C MET A 1 12.096 -3.417 5.035 1.00 0.00 C ATOM 4 O MET A 1 11.162 -3.881 5.677 1.00 0.00 O ATOM 5 CB MET A 1 12.643 -5.148 3.271 1.00 0.00 C ATOM 6 CG MET A 1 13.007 -4.466 1.947 1.00 0.00 C ATOM 7 SD MET A 1 14.592 -4.985 1.255 1.00 0.00 S ATOM 8 CE MET A 1 14.004 -6.490 0.431 1.00 0.00 C ATOM 0 H1 MET A 1 14.436 -5.813 5.123 1.00 0.00 H new ATOM 0 H2 MET A 1 14.111 -4.606 6.272 1.00 0.00 H new ATOM 0 H3 MET A 1 12.931 -5.771 5.908 1.00 0.00 H new ATOM 0 HA MET A 1 13.978 -3.704 4.064 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.066 -6.152 3.300 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.561 -5.256 3.348 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.222 -4.670 1.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.027 -3.387 2.101 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.530 -7.355 0.834 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.934 -6.604 0.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.194 -6.417 -0.640 1.00 0.00 H new ATOM 18 N ARG A 2 12.211 -2.103 4.855 1.00 0.00 N ATOM 19 CA ARG A 2 11.165 -1.125 4.995 1.00 0.00 C ATOM 20 C ARG A 2 10.878 -0.550 3.609 1.00 0.00 C ATOM 21 O ARG A 2 11.535 -0.968 2.646 1.00 0.00 O ATOM 22 CB ARG A 2 11.711 -0.056 5.956 1.00 0.00 C ATOM 23 CG ARG A 2 10.661 0.146 7.020 1.00 0.00 C ATOM 24 CD ARG A 2 11.146 1.061 8.154 1.00 0.00 C ATOM 25 NE ARG A 2 10.194 1.131 9.279 1.00 0.00 N ATOM 26 CZ ARG A 2 9.886 0.135 10.123 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.443 -1.067 10.032 1.00 0.00 N ATOM 28 NH2 ARG A 2 9.000 0.350 11.085 1.00 0.00 N ATOM 0 H ARG A 2 13.100 -1.678 4.591 1.00 0.00 H new ATOM 0 HA ARG A 2 10.234 -1.533 5.390 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.654 -0.378 6.398 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.910 0.876 5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.767 0.575 6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.376 -0.821 7.434 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.107 0.700 8.520 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.310 2.064 7.760 1.00 0.00 H new ATOM 0 HE ARG A 2 9.724 2.024 9.430 1.00 0.00 H new ATOM 0 HH11 ARG A 2 11.130 -1.257 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.184 -1.800 10.692 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.560 1.266 11.178 1.00 0.00 H new ATOM 0 HH22 ARG A 2 8.758 -0.400 11.733 1.00 0.00 H new ATOM 42 N VAL A 3 9.922 0.381 3.521 1.00 0.00 N ATOM 43 CA VAL A 3 9.687 1.306 2.415 1.00 0.00 C ATOM 44 C VAL A 3 9.132 2.603 3.029 1.00 0.00 C ATOM 45 O VAL A 3 8.455 2.581 4.059 1.00 0.00 O ATOM 46 CB VAL A 3 8.744 0.648 1.381 1.00 0.00 C ATOM 47 CG1 VAL A 3 8.222 1.547 0.252 1.00 0.00 C ATOM 48 CG2 VAL A 3 9.440 -0.552 0.739 1.00 0.00 C ATOM 0 H VAL A 3 9.247 0.515 4.274 1.00 0.00 H new ATOM 0 HA VAL A 3 10.597 1.549 1.867 1.00 0.00 H new ATOM 0 HB VAL A 3 7.868 0.375 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.573 0.967 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.659 2.377 0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.063 1.936 -0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.773 -1.013 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.349 -0.220 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.695 -1.280 1.509 1.00 0.00 H new ATOM 58 N GLU A 4 9.392 3.745 2.399 1.00 0.00 N ATOM 59 CA GLU A 4 8.861 5.060 2.727 1.00 0.00 C ATOM 60 C GLU A 4 8.208 5.611 1.466 1.00 0.00 C ATOM 61 O GLU A 4 8.665 5.338 0.351 1.00 0.00 O ATOM 62 CB GLU A 4 10.001 5.939 3.262 1.00 0.00 C ATOM 63 CG GLU A 4 9.714 7.441 3.323 1.00 0.00 C ATOM 64 CD GLU A 4 10.849 8.167 4.044 1.00 0.00 C ATOM 65 OE1 GLU A 4 11.993 8.130 3.530 1.00 0.00 O ATOM 66 OE2 GLU A 4 10.584 8.762 5.112 1.00 0.00 O ATOM 0 H GLU A 4 10.019 3.776 1.595 1.00 0.00 H new ATOM 0 HA GLU A 4 8.105 5.026 3.512 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.258 5.597 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.880 5.782 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.602 7.838 2.314 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.772 7.618 3.842 1.00 0.00 H new ATOM 73 N LEU A 5 7.126 6.365 1.651 1.00 0.00 N ATOM 74 CA LEU A 5 6.316 6.936 0.589 1.00 0.00 C ATOM 75 C LEU A 5 6.315 8.443 0.801 1.00 0.00 C ATOM 76 O LEU A 5 5.771 8.901 1.805 1.00 0.00 O ATOM 77 CB LEU A 5 4.876 6.397 0.660 1.00 0.00 C ATOM 78 CG LEU A 5 4.667 4.877 0.520 1.00 0.00 C ATOM 79 CD1 LEU A 5 3.168 4.602 0.344 1.00 0.00 C ATOM 80 CD2 LEU A 5 5.393 4.283 -0.686 1.00 0.00 C ATOM 0 H LEU A 5 6.781 6.601 2.581 1.00 0.00 H new ATOM 0 HA LEU A 5 6.720 6.673 -0.389 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.450 6.707 1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.296 6.888 -0.122 1.00 0.00 H new ATOM 0 HG LEU A 5 5.072 4.414 1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.004 3.529 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.626 4.972 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.808 5.109 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.207 3.210 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 5 5.027 4.753 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.464 4.462 -0.590 1.00 0.00 H new ATOM 92 N LEU A 6 6.945 9.200 -0.094 1.00 0.00 N ATOM 93 CA LEU A 6 6.971 10.660 -0.056 1.00 0.00 C ATOM 94 C LEU A 6 5.999 11.179 -1.094 1.00 0.00 C ATOM 95 O LEU A 6 6.151 10.880 -2.275 1.00 0.00 O ATOM 96 CB LEU A 6 8.387 11.182 -0.364 1.00 0.00 C ATOM 97 CG LEU A 6 8.979 11.955 0.827 1.00 0.00 C ATOM 98 CD1 LEU A 6 10.465 12.266 0.609 1.00 0.00 C ATOM 99 CD2 LEU A 6 8.269 13.300 1.020 1.00 0.00 C ATOM 0 H LEU A 6 7.462 8.808 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 6 6.688 11.006 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.038 10.344 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.353 11.831 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 6 8.845 11.317 1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.852 12.813 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.018 11.334 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.582 12.872 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.708 13.825 1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.384 13.905 0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.209 13.128 1.208 1.00 0.00 H new ATOM 111 N PHE A 7 5.021 11.971 -0.689 1.00 0.00 N ATOM 112 CA PHE A 7 4.076 12.611 -1.584 1.00 0.00 C ATOM 113 C PHE A 7 4.417 14.098 -1.659 1.00 0.00 C ATOM 114 O PHE A 7 5.187 14.627 -0.856 1.00 0.00 O ATOM 115 CB PHE A 7 2.657 12.428 -1.031 1.00 0.00 C ATOM 116 CG PHE A 7 2.271 11.054 -0.501 1.00 0.00 C ATOM 117 CD1 PHE A 7 2.547 10.687 0.829 1.00 0.00 C ATOM 118 CD2 PHE A 7 1.554 10.166 -1.309 1.00 0.00 C ATOM 119 CE1 PHE A 7 2.122 9.457 1.357 1.00 0.00 C ATOM 120 CE2 PHE A 7 1.118 8.932 -0.798 1.00 0.00 C ATOM 121 CZ PHE A 7 1.404 8.573 0.535 1.00 0.00 C ATOM 0 H PHE A 7 4.859 12.191 0.294 1.00 0.00 H new ATOM 0 HA PHE A 7 4.130 12.169 -2.579 1.00 0.00 H new ATOM 0 HB2 PHE A 7 2.516 13.149 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.954 12.692 -1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 7 3.099 11.368 1.459 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.334 10.431 -2.333 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.344 9.195 2.381 1.00 0.00 H new ATOM 0 HE2 PHE A 7 0.561 8.255 -1.429 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.072 7.621 0.923 1.00 0.00 H new ATOM 131 N GLU A 8 3.754 14.811 -2.560 1.00 0.00 N ATOM 132 CA GLU A 8 3.818 16.270 -2.644 1.00 0.00 C ATOM 133 C GLU A 8 3.254 16.933 -1.380 1.00 0.00 C ATOM 134 O GLU A 8 3.627 18.054 -1.049 1.00 0.00 O ATOM 135 CB GLU A 8 3.022 16.723 -3.875 1.00 0.00 C ATOM 136 CG GLU A 8 3.639 16.217 -5.189 1.00 0.00 C ATOM 137 CD GLU A 8 4.666 17.171 -5.786 1.00 0.00 C ATOM 138 OE1 GLU A 8 5.360 17.903 -5.036 1.00 0.00 O ATOM 139 OE2 GLU A 8 4.803 17.181 -7.029 1.00 0.00 O ATOM 0 H GLU A 8 3.148 14.390 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 8 4.861 16.573 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.997 16.361 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.975 17.812 -3.894 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.112 15.252 -5.011 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.843 16.052 -5.915 1.00 0.00 H new ATOM 146 N SER A 9 2.381 16.247 -0.635 1.00 0.00 N ATOM 147 CA SER A 9 1.614 16.865 0.452 1.00 0.00 C ATOM 148 C SER A 9 1.771 16.152 1.798 1.00 0.00 C ATOM 149 O SER A 9 1.061 16.471 2.755 1.00 0.00 O ATOM 150 CB SER A 9 0.157 16.955 0.013 1.00 0.00 C ATOM 151 OG SER A 9 0.047 17.837 -1.092 1.00 0.00 O ATOM 0 H SER A 9 2.187 15.254 -0.767 1.00 0.00 H new ATOM 0 HA SER A 9 2.012 17.863 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.213 15.967 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.461 17.310 0.838 1.00 0.00 H new ATOM 0 HG SER A 9 -0.766 17.628 -1.597 1.00 0.00 H new ATOM 157 N GLY A 10 2.690 15.194 1.894 1.00 0.00 N ATOM 158 CA GLY A 10 2.977 14.475 3.127 1.00 0.00 C ATOM 159 C GLY A 10 3.922 13.315 2.895 1.00 0.00 C ATOM 160 O GLY A 10 4.518 13.223 1.821 1.00 0.00 O ATOM 0 H GLY A 10 3.263 14.893 1.105 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.414 15.160 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.046 14.105 3.557 1.00 0.00 H new ATOM 164 N LYS A 11 4.073 12.427 3.881 1.00 0.00 N ATOM 165 CA LYS A 11 4.840 11.195 3.722 1.00 0.00 C ATOM 166 C LYS A 11 4.442 10.162 4.768 1.00 0.00 C ATOM 167 O LYS A 11 4.031 10.518 5.876 1.00 0.00 O ATOM 168 CB LYS A 11 6.346 11.488 3.773 1.00 0.00 C ATOM 169 CG LYS A 11 6.787 12.116 5.095 1.00 0.00 C ATOM 170 CD LYS A 11 8.311 12.243 5.168 1.00 0.00 C ATOM 171 CE LYS A 11 8.774 12.522 6.599 1.00 0.00 C ATOM 172 NZ LYS A 11 8.304 11.511 7.574 1.00 0.00 N ATOM 0 H LYS A 11 3.667 12.544 4.809 1.00 0.00 H new ATOM 0 HA LYS A 11 4.610 10.774 2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.897 10.561 3.616 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.608 12.157 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.332 13.101 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.430 11.508 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.773 11.325 4.806 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.644 13.047 4.512 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.863 12.559 6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.416 13.505 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.900 11.546 8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.317 11.712 7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.364 10.564 7.148 1.00 0.00 H new ATOM 186 N CYS A 12 4.622 8.884 4.450 1.00 0.00 N ATOM 187 CA CYS A 12 4.384 7.788 5.374 1.00 0.00 C ATOM 188 C CYS A 12 5.504 6.758 5.284 1.00 0.00 C ATOM 189 O CYS A 12 6.456 6.919 4.512 1.00 0.00 O ATOM 190 CB CYS A 12 2.972 7.218 5.153 1.00 0.00 C ATOM 191 SG CYS A 12 2.855 6.110 3.730 1.00 0.00 S ATOM 0 H CYS A 12 4.942 8.580 3.530 1.00 0.00 H new ATOM 0 HA CYS A 12 4.407 8.146 6.403 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.662 6.680 6.049 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.273 8.043 5.019 1.00 0.00 H new ATOM 0 HG CYS A 12 1.701 5.512 3.740 1.00 0.00 H new ATOM 197 N VAL A 13 5.409 5.707 6.092 1.00 0.00 N ATOM 198 CA VAL A 13 6.376 4.614 6.128 1.00 0.00 C ATOM 199 C VAL A 13 5.575 3.316 6.201 1.00 0.00 C ATOM 200 O VAL A 13 4.612 3.212 6.968 1.00 0.00 O ATOM 201 CB VAL A 13 7.361 4.766 7.310 1.00 0.00 C ATOM 202 CG1 VAL A 13 8.484 3.713 7.261 1.00 0.00 C ATOM 203 CG2 VAL A 13 8.033 6.145 7.370 1.00 0.00 C ATOM 0 H VAL A 13 4.642 5.588 6.754 1.00 0.00 H new ATOM 0 HA VAL A 13 7.000 4.617 5.234 1.00 0.00 H new ATOM 0 HB VAL A 13 6.741 4.630 8.196 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.154 3.856 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.049 2.715 7.306 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.045 3.823 6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.711 6.183 8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.595 6.316 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.271 6.917 7.478 1.00 0.00 H new ATOM 213 N ILE A 14 5.967 2.325 5.402 1.00 0.00 N ATOM 214 CA ILE A 14 5.293 1.051 5.275 1.00 0.00 C ATOM 215 C ILE A 14 6.345 -0.054 5.469 1.00 0.00 C ATOM 216 O ILE A 14 7.392 -0.051 4.824 1.00 0.00 O ATOM 217 CB ILE A 14 4.485 1.001 3.954 1.00 0.00 C ATOM 218 CG1 ILE A 14 5.378 0.953 2.697 1.00 0.00 C ATOM 219 CG2 ILE A 14 3.495 2.182 3.858 1.00 0.00 C ATOM 220 CD1 ILE A 14 4.638 0.923 1.356 1.00 0.00 C ATOM 0 H ILE A 14 6.793 2.398 4.808 1.00 0.00 H new ATOM 0 HA ILE A 14 4.536 0.895 6.044 1.00 0.00 H new ATOM 0 HB ILE A 14 3.925 0.066 3.984 1.00 0.00 H new ATOM 0 HG12 ILE A 14 6.036 1.822 2.708 1.00 0.00 H new ATOM 0 HG13 ILE A 14 6.014 0.070 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.943 2.119 2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.796 2.140 4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 14 4.046 3.122 3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.362 0.890 0.542 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.001 0.039 1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.024 1.818 1.259 1.00 0.00 H new ATOM 232 N ASP A 15 6.120 -0.962 6.413 1.00 0.00 N ATOM 233 CA ASP A 15 7.025 -2.066 6.751 1.00 0.00 C ATOM 234 C ASP A 15 6.545 -3.307 6.003 1.00 0.00 C ATOM 235 O ASP A 15 5.368 -3.657 6.156 1.00 0.00 O ATOM 236 CB ASP A 15 6.999 -2.271 8.273 1.00 0.00 C ATOM 237 CG ASP A 15 8.116 -3.170 8.802 1.00 0.00 C ATOM 238 OD1 ASP A 15 8.779 -3.855 8.002 1.00 0.00 O ATOM 239 OD2 ASP A 15 8.376 -3.143 10.029 1.00 0.00 O ATOM 0 H ASP A 15 5.276 -0.953 6.985 1.00 0.00 H new ATOM 0 HA ASP A 15 8.053 -1.856 6.458 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.068 -1.299 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.038 -2.701 8.554 1.00 0.00 H new ATOM 244 N LEU A 16 7.361 -3.875 5.098 1.00 0.00 N ATOM 245 CA LEU A 16 6.912 -4.897 4.149 1.00 0.00 C ATOM 246 C LEU A 16 7.839 -6.112 4.222 1.00 0.00 C ATOM 247 O LEU A 16 9.060 -5.948 4.209 1.00 0.00 O ATOM 248 CB LEU A 16 6.909 -4.341 2.717 1.00 0.00 C ATOM 249 CG LEU A 16 6.413 -2.893 2.546 1.00 0.00 C ATOM 250 CD1 LEU A 16 6.572 -2.523 1.078 1.00 0.00 C ATOM 251 CD2 LEU A 16 4.933 -2.748 2.894 1.00 0.00 C ATOM 0 H LEU A 16 8.348 -3.636 5.008 1.00 0.00 H new ATOM 0 HA LEU A 16 5.897 -5.193 4.413 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.924 -4.403 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.288 -4.990 2.100 1.00 0.00 H new ATOM 0 HG LEU A 16 6.991 -2.252 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.229 -1.500 0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 16 7.622 -2.601 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.979 -3.202 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.627 -1.710 2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.341 -3.389 2.240 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.773 -3.041 3.932 1.00 0.00 H new ATOM 263 N ASN A 17 7.279 -7.328 4.239 1.00 0.00 N ATOM 264 CA ASN A 17 8.061 -8.539 4.543 1.00 0.00 C ATOM 265 C ASN A 17 8.464 -9.361 3.309 1.00 0.00 C ATOM 266 O ASN A 17 7.651 -10.044 2.700 1.00 0.00 O ATOM 267 CB ASN A 17 7.341 -9.432 5.554 1.00 0.00 C ATOM 268 CG ASN A 17 8.280 -10.520 6.051 1.00 0.00 C ATOM 269 OD1 ASN A 17 8.025 -11.700 5.844 1.00 0.00 O ATOM 270 ND2 ASN A 17 9.378 -10.147 6.692 1.00 0.00 N ATOM 0 H ASN A 17 6.292 -7.502 4.047 1.00 0.00 H new ATOM 0 HA ASN A 17 8.988 -8.167 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 17 6.989 -8.833 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.462 -9.882 5.092 1.00 0.00 H new ATOM 0 HD21 ASN A 17 10.037 -10.850 7.027 1.00 0.00 H new ATOM 0 HD22 ASN A 17 9.565 -9.157 6.850 1.00 0.00 H new ATOM 277 N GLU A 18 9.744 -9.300 2.955 1.00 0.00 N ATOM 278 CA GLU A 18 10.497 -9.952 1.863 1.00 0.00 C ATOM 279 C GLU A 18 10.426 -11.490 1.780 1.00 0.00 C ATOM 280 O GLU A 18 11.085 -12.088 0.923 1.00 0.00 O ATOM 281 CB GLU A 18 11.966 -9.511 1.962 1.00 0.00 C ATOM 282 CG GLU A 18 12.406 -9.775 3.396 1.00 0.00 C ATOM 283 CD GLU A 18 13.901 -9.763 3.692 1.00 0.00 C ATOM 284 OE1 GLU A 18 14.738 -9.401 2.836 1.00 0.00 O ATOM 285 OE2 GLU A 18 14.230 -10.055 4.861 1.00 0.00 O ATOM 0 H GLU A 18 10.374 -8.711 3.499 1.00 0.00 H new ATOM 0 HA GLU A 18 10.007 -9.623 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.585 -10.067 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.071 -8.455 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.932 -9.030 4.035 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.013 -10.747 3.694 1.00 0.00 H new ATOM 292 N GLU A 19 9.678 -12.163 2.653 1.00 0.00 N ATOM 293 CA GLU A 19 9.311 -13.552 2.408 1.00 0.00 C ATOM 294 C GLU A 19 8.279 -13.575 1.278 1.00 0.00 C ATOM 295 O GLU A 19 8.403 -14.364 0.338 1.00 0.00 O ATOM 296 CB GLU A 19 8.765 -14.193 3.692 1.00 0.00 C ATOM 297 CG GLU A 19 9.828 -14.342 4.797 1.00 0.00 C ATOM 298 CD GLU A 19 10.989 -15.278 4.431 1.00 0.00 C ATOM 299 OE1 GLU A 19 10.825 -16.166 3.560 1.00 0.00 O ATOM 300 OE2 GLU A 19 12.067 -15.174 5.061 1.00 0.00 O ATOM 0 H GLU A 19 9.319 -11.773 3.525 1.00 0.00 H new ATOM 0 HA GLU A 19 10.182 -14.135 2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.940 -13.588 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.357 -15.176 3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.231 -13.357 5.033 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.346 -14.715 5.701 1.00 0.00 H new ATOM 307 N TYR A 20 7.298 -12.669 1.336 1.00 0.00 N ATOM 308 CA TYR A 20 6.227 -12.543 0.365 1.00 0.00 C ATOM 309 C TYR A 20 6.798 -12.191 -1.007 1.00 0.00 C ATOM 310 O TYR A 20 7.701 -11.359 -1.115 1.00 0.00 O ATOM 311 CB TYR A 20 5.203 -11.509 0.863 1.00 0.00 C ATOM 312 CG TYR A 20 4.572 -11.815 2.220 1.00 0.00 C ATOM 313 CD1 TYR A 20 3.828 -12.992 2.422 1.00 0.00 C ATOM 314 CD2 TYR A 20 4.716 -10.910 3.291 1.00 0.00 C ATOM 315 CE1 TYR A 20 3.273 -13.285 3.680 1.00 0.00 C ATOM 316 CE2 TYR A 20 4.183 -11.199 4.562 1.00 0.00 C ATOM 317 CZ TYR A 20 3.458 -12.398 4.761 1.00 0.00 C ATOM 318 OH TYR A 20 2.929 -12.712 5.979 1.00 0.00 O ATOM 0 H TYR A 20 7.233 -11.984 2.089 1.00 0.00 H new ATOM 0 HA TYR A 20 5.707 -13.494 0.255 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.692 -10.536 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.408 -11.424 0.122 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.682 -13.678 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.243 -9.981 3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.703 -14.192 3.819 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.327 -10.509 5.381 1.00 0.00 H new ATOM 0 HH TYR A 20 3.142 -12.003 6.621 1.00 0.00 H new ATOM 328 N GLU A 21 6.233 -12.806 -2.053 1.00 0.00 N ATOM 329 CA GLU A 21 6.689 -12.746 -3.444 1.00 0.00 C ATOM 330 C GLU A 21 6.819 -11.283 -3.812 1.00 0.00 C ATOM 331 O GLU A 21 7.901 -10.820 -4.150 1.00 0.00 O ATOM 332 CB GLU A 21 5.688 -13.479 -4.369 1.00 0.00 C ATOM 333 CG GLU A 21 5.954 -13.372 -5.888 1.00 0.00 C ATOM 334 CD GLU A 21 7.037 -14.320 -6.431 1.00 0.00 C ATOM 335 OE1 GLU A 21 7.911 -14.775 -5.654 1.00 0.00 O ATOM 336 OE2 GLU A 21 7.018 -14.588 -7.659 1.00 0.00 O ATOM 0 H GLU A 21 5.403 -13.389 -1.945 1.00 0.00 H new ATOM 0 HA GLU A 21 7.651 -13.244 -3.564 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.680 -14.534 -4.097 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.689 -13.091 -4.168 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.022 -13.568 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.242 -12.346 -6.119 1.00 0.00 H new ATOM 343 N VAL A 22 5.739 -10.521 -3.664 1.00 0.00 N ATOM 344 CA VAL A 22 5.705 -9.142 -4.125 1.00 0.00 C ATOM 345 C VAL A 22 6.827 -8.370 -3.459 1.00 0.00 C ATOM 346 O VAL A 22 7.435 -7.545 -4.133 1.00 0.00 O ATOM 347 CB VAL A 22 4.381 -8.454 -3.727 1.00 0.00 C ATOM 348 CG1 VAL A 22 4.005 -7.328 -4.694 1.00 0.00 C ATOM 349 CG2 VAL A 22 3.226 -9.379 -3.395 1.00 0.00 C ATOM 0 H VAL A 22 4.874 -10.839 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 22 5.806 -9.149 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 22 4.596 -7.994 -2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.067 -6.873 -4.375 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.792 -6.574 -4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.888 -7.735 -5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.350 -8.787 -3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.996 -10.000 -4.261 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.500 -10.017 -2.555 1.00 0.00 H new ATOM 359 N VAL A 23 7.116 -8.623 -2.177 1.00 0.00 N ATOM 360 CA VAL A 23 8.027 -7.757 -1.471 1.00 0.00 C ATOM 361 C VAL A 23 9.436 -7.933 -2.053 1.00 0.00 C ATOM 362 O VAL A 23 10.173 -6.952 -2.197 1.00 0.00 O ATOM 363 CB VAL A 23 7.952 -7.970 0.058 1.00 0.00 C ATOM 364 CG1 VAL A 23 8.901 -7.020 0.799 1.00 0.00 C ATOM 365 CG2 VAL A 23 6.516 -7.718 0.555 1.00 0.00 C ATOM 0 H VAL A 23 6.739 -9.399 -1.633 1.00 0.00 H new ATOM 0 HA VAL A 23 7.737 -6.717 -1.618 1.00 0.00 H new ATOM 0 HB VAL A 23 8.248 -8.999 0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.825 -7.194 1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.925 -7.202 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.628 -5.988 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.472 -7.870 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.224 -6.694 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.834 -8.411 0.063 1.00 0.00 H new ATOM 375 N LYS A 24 9.799 -9.156 -2.460 1.00 0.00 N ATOM 376 CA LYS A 24 11.029 -9.397 -3.203 1.00 0.00 C ATOM 377 C LYS A 24 11.023 -8.642 -4.533 1.00 0.00 C ATOM 378 O LYS A 24 12.019 -8.005 -4.866 1.00 0.00 O ATOM 379 CB LYS A 24 11.201 -10.898 -3.458 1.00 0.00 C ATOM 380 CG LYS A 24 11.207 -11.745 -2.180 1.00 0.00 C ATOM 381 CD LYS A 24 11.159 -13.213 -2.593 1.00 0.00 C ATOM 382 CE LYS A 24 11.303 -14.154 -1.395 1.00 0.00 C ATOM 383 NZ LYS A 24 11.634 -15.530 -1.817 1.00 0.00 N ATOM 0 H LYS A 24 9.249 -9.996 -2.282 1.00 0.00 H new ATOM 0 HA LYS A 24 11.865 -9.033 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.395 -11.242 -4.107 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.135 -11.061 -3.996 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.102 -11.543 -1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.351 -11.496 -1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.216 -13.415 -3.101 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.956 -13.414 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.082 -13.780 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.374 -14.162 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.724 -16.138 -0.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.879 -15.896 -2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.533 -15.526 -2.339 1.00 0.00 H new ATOM 397 N LEU A 25 9.935 -8.715 -5.304 1.00 0.00 N ATOM 398 CA LEU A 25 9.849 -8.209 -6.672 1.00 0.00 C ATOM 399 C LEU A 25 9.891 -6.687 -6.679 1.00 0.00 C ATOM 400 O LEU A 25 10.363 -6.060 -7.626 1.00 0.00 O ATOM 401 CB LEU A 25 8.511 -8.628 -7.282 1.00 0.00 C ATOM 402 CG LEU A 25 8.316 -10.092 -7.700 1.00 0.00 C ATOM 403 CD1 LEU A 25 8.433 -10.245 -9.209 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.238 -11.126 -7.074 1.00 0.00 C ATOM 0 H LEU A 25 9.066 -9.141 -4.982 1.00 0.00 H new ATOM 0 HA LEU A 25 10.688 -8.613 -7.239 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.729 -8.383 -6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.341 -8.008 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 25 7.317 -10.305 -7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.291 -11.291 -9.481 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.671 -9.637 -9.697 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.421 -9.917 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.989 -12.115 -7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.272 -10.889 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.114 -11.116 -5.991 1.00 0.00 H new ATOM 416 N LEU A 26 9.345 -6.089 -5.627 1.00 0.00 N ATOM 417 CA LEU A 26 9.282 -4.665 -5.387 1.00 0.00 C ATOM 418 C LEU A 26 10.692 -4.088 -5.326 1.00 0.00 C ATOM 419 O LEU A 26 10.929 -3.045 -5.928 1.00 0.00 O ATOM 420 CB LEU A 26 8.545 -4.439 -4.055 1.00 0.00 C ATOM 421 CG LEU A 26 7.109 -3.910 -4.126 1.00 0.00 C ATOM 422 CD1 LEU A 26 6.981 -2.390 -4.264 1.00 0.00 C ATOM 423 CD2 LEU A 26 6.366 -4.511 -5.272 1.00 0.00 C ATOM 0 H LEU A 26 8.909 -6.625 -4.876 1.00 0.00 H new ATOM 0 HA LEU A 26 8.748 -4.163 -6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.529 -5.385 -3.514 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.132 -3.741 -3.459 1.00 0.00 H new ATOM 0 HG LEU A 26 6.687 -4.200 -3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.927 -2.116 -4.306 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.448 -1.906 -3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.477 -2.065 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.351 -4.115 -5.295 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.873 -4.263 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.331 -5.594 -5.155 1.00 0.00 H new ATOM 435 N LYS A 27 11.643 -4.785 -4.681 1.00 0.00 N ATOM 436 CA LYS A 27 13.042 -4.352 -4.569 1.00 0.00 C ATOM 437 C LYS A 27 13.601 -3.980 -5.935 1.00 0.00 C ATOM 438 O LYS A 27 14.398 -3.057 -6.054 1.00 0.00 O ATOM 439 CB LYS A 27 13.892 -5.474 -3.937 1.00 0.00 C ATOM 440 CG LYS A 27 15.406 -5.184 -3.783 1.00 0.00 C ATOM 441 CD LYS A 27 16.315 -6.189 -4.526 1.00 0.00 C ATOM 442 CE LYS A 27 16.245 -6.035 -6.051 1.00 0.00 C ATOM 443 NZ LYS A 27 16.953 -7.117 -6.772 1.00 0.00 N ATOM 0 H LYS A 27 11.457 -5.675 -4.218 1.00 0.00 H new ATOM 0 HA LYS A 27 13.081 -3.470 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.485 -5.698 -2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.776 -6.373 -4.542 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.613 -4.180 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.662 -5.192 -2.723 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.345 -6.052 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.026 -7.204 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.200 -6.021 -6.362 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.675 -5.074 -6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 16.873 -6.961 -7.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.957 -7.117 -6.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.528 -8.034 -6.527 1.00 0.00 H new ATOM 457 N GLU A 28 13.192 -4.707 -6.970 1.00 0.00 N ATOM 458 CA GLU A 28 13.732 -4.571 -8.312 1.00 0.00 C ATOM 459 C GLU A 28 13.317 -3.250 -8.954 1.00 0.00 C ATOM 460 O GLU A 28 13.989 -2.767 -9.864 1.00 0.00 O ATOM 461 CB GLU A 28 13.231 -5.739 -9.165 1.00 0.00 C ATOM 462 CG GLU A 28 13.367 -7.081 -8.427 1.00 0.00 C ATOM 463 CD GLU A 28 13.229 -8.253 -9.372 1.00 0.00 C ATOM 464 OE1 GLU A 28 14.208 -8.515 -10.104 1.00 0.00 O ATOM 465 OE2 GLU A 28 12.192 -8.950 -9.318 1.00 0.00 O ATOM 0 H GLU A 28 12.464 -5.418 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 28 14.820 -4.581 -8.251 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.187 -5.574 -9.431 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.795 -5.777 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.336 -7.126 -7.929 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.606 -7.148 -7.650 1.00 0.00 H new ATOM 472 N LYS A 29 12.209 -2.662 -8.498 1.00 0.00 N ATOM 473 CA LYS A 29 11.607 -1.480 -9.096 1.00 0.00 C ATOM 474 C LYS A 29 11.698 -0.277 -8.161 1.00 0.00 C ATOM 475 O LYS A 29 11.353 0.819 -8.581 1.00 0.00 O ATOM 476 CB LYS A 29 10.138 -1.765 -9.462 1.00 0.00 C ATOM 477 CG LYS A 29 9.859 -3.100 -10.181 1.00 0.00 C ATOM 478 CD LYS A 29 10.594 -3.260 -11.517 1.00 0.00 C ATOM 479 CE LYS A 29 10.104 -4.548 -12.187 1.00 0.00 C ATOM 480 NZ LYS A 29 10.883 -4.875 -13.394 1.00 0.00 N ATOM 0 H LYS A 29 11.698 -3.006 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 29 12.161 -1.239 -10.003 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.546 -1.739 -8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.780 -0.954 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.143 -3.921 -9.522 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.787 -3.188 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.403 -2.401 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.671 -3.303 -11.355 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.171 -5.373 -11.478 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.052 -4.441 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.518 -5.753 -13.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.799 -4.100 -14.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.883 -5.003 -13.138 1.00 0.00 H new ATOM 494 N ILE A 30 12.088 -0.456 -6.895 1.00 0.00 N ATOM 495 CA ILE A 30 12.244 0.638 -5.942 1.00 0.00 C ATOM 496 C ILE A 30 13.637 1.255 -6.168 1.00 0.00 C ATOM 497 O ILE A 30 14.609 0.517 -6.357 1.00 0.00 O ATOM 498 CB ILE A 30 12.036 0.126 -4.492 1.00 0.00 C ATOM 499 CG1 ILE A 30 10.569 -0.302 -4.257 1.00 0.00 C ATOM 500 CG2 ILE A 30 12.381 1.171 -3.408 1.00 0.00 C ATOM 501 CD1 ILE A 30 10.388 -1.146 -2.988 1.00 0.00 C ATOM 0 H ILE A 30 12.305 -1.373 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 30 11.490 1.410 -6.095 1.00 0.00 H new ATOM 0 HB ILE A 30 12.720 -0.718 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.943 0.588 -4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.220 -0.871 -5.118 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.211 0.741 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.428 1.461 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.748 2.049 -3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.338 -1.416 -2.877 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.989 -2.052 -3.065 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.708 -0.571 -2.120 1.00 0.00 H new ATOM 513 N PRO A 31 13.781 2.585 -6.035 1.00 0.00 N ATOM 514 CA PRO A 31 12.691 3.546 -5.910 1.00 0.00 C ATOM 515 C PRO A 31 11.904 3.706 -7.220 1.00 0.00 C ATOM 516 O PRO A 31 12.464 3.546 -8.304 1.00 0.00 O ATOM 517 CB PRO A 31 13.348 4.844 -5.446 1.00 0.00 C ATOM 518 CG PRO A 31 14.817 4.734 -5.824 1.00 0.00 C ATOM 519 CD PRO A 31 15.079 3.237 -5.957 1.00 0.00 C ATOM 0 HA PRO A 31 11.940 3.213 -5.194 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.886 5.707 -5.925 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.232 4.977 -4.370 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.024 5.256 -6.758 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.455 5.180 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 31 15.671 3.026 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 31 15.646 2.867 -5.103 1.00 0.00 H new ATOM 527 N PHE A 32 10.607 4.016 -7.106 1.00 0.00 N ATOM 528 CA PHE A 32 9.759 4.421 -8.226 1.00 0.00 C ATOM 529 C PHE A 32 8.837 5.557 -7.792 1.00 0.00 C ATOM 530 O PHE A 32 8.728 5.821 -6.593 1.00 0.00 O ATOM 531 CB PHE A 32 8.985 3.248 -8.849 1.00 0.00 C ATOM 532 CG PHE A 32 7.982 2.499 -7.990 1.00 0.00 C ATOM 533 CD1 PHE A 32 8.426 1.537 -7.072 1.00 0.00 C ATOM 534 CD2 PHE A 32 6.599 2.682 -8.176 1.00 0.00 C ATOM 535 CE1 PHE A 32 7.504 0.763 -6.349 1.00 0.00 C ATOM 536 CE2 PHE A 32 5.670 1.928 -7.437 1.00 0.00 C ATOM 537 CZ PHE A 32 6.124 0.956 -6.527 1.00 0.00 C ATOM 0 H PHE A 32 10.111 3.991 -6.215 1.00 0.00 H new ATOM 0 HA PHE A 32 10.409 4.785 -9.021 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.454 3.628 -9.722 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.716 2.525 -9.211 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.485 1.390 -6.920 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.248 3.409 -8.893 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.857 0.016 -5.653 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.611 2.095 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.416 0.362 -5.969 1.00 0.00 H new ATOM 547 N GLU A 33 8.154 6.226 -8.716 1.00 0.00 N ATOM 548 CA GLU A 33 7.053 7.126 -8.399 1.00 0.00 C ATOM 549 C GLU A 33 5.769 6.533 -8.970 1.00 0.00 C ATOM 550 O GLU A 33 5.810 5.621 -9.801 1.00 0.00 O ATOM 551 CB GLU A 33 7.289 8.511 -9.001 1.00 0.00 C ATOM 552 CG GLU A 33 8.453 9.289 -8.395 1.00 0.00 C ATOM 553 CD GLU A 33 8.711 10.583 -9.170 1.00 0.00 C ATOM 554 OE1 GLU A 33 7.814 11.134 -9.842 1.00 0.00 O ATOM 555 OE2 GLU A 33 9.843 11.109 -9.105 1.00 0.00 O ATOM 0 H GLU A 33 8.352 6.157 -9.714 1.00 0.00 H new ATOM 0 HA GLU A 33 6.978 7.236 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.464 8.400 -10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.379 9.100 -8.886 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.235 9.522 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.351 8.671 -8.403 1.00 0.00 H new ATOM 562 N SER A 34 4.615 7.044 -8.553 1.00 0.00 N ATOM 563 CA SER A 34 3.332 6.653 -9.102 1.00 0.00 C ATOM 564 C SER A 34 2.308 7.749 -8.857 1.00 0.00 C ATOM 565 O SER A 34 2.471 8.594 -7.976 1.00 0.00 O ATOM 566 CB SER A 34 2.907 5.349 -8.439 1.00 0.00 C ATOM 567 OG SER A 34 2.228 4.516 -9.357 1.00 0.00 O ATOM 0 H SER A 34 4.549 7.747 -7.817 1.00 0.00 H new ATOM 0 HA SER A 34 3.407 6.504 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.784 4.831 -8.051 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.260 5.563 -7.588 1.00 0.00 H new ATOM 0 HG SER A 34 2.247 3.591 -9.035 1.00 0.00 H new ATOM 573 N VAL A 35 1.230 7.696 -9.627 1.00 0.00 N ATOM 574 CA VAL A 35 0.049 8.515 -9.415 1.00 0.00 C ATOM 575 C VAL A 35 -0.631 7.961 -8.171 1.00 0.00 C ATOM 576 O VAL A 35 -0.855 6.751 -8.079 1.00 0.00 O ATOM 577 CB VAL A 35 -0.922 8.465 -10.617 1.00 0.00 C ATOM 578 CG1 VAL A 35 -1.860 9.680 -10.604 1.00 0.00 C ATOM 579 CG2 VAL A 35 -0.177 8.388 -11.953 1.00 0.00 C ATOM 0 H VAL A 35 1.152 7.071 -10.430 1.00 0.00 H new ATOM 0 HA VAL A 35 0.334 9.561 -9.299 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.514 7.555 -10.515 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.536 9.627 -11.458 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.440 9.682 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.271 10.595 -10.664 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.898 8.355 -12.770 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.459 9.266 -12.066 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.438 7.489 -11.975 1.00 0.00 H new ATOM 589 N VAL A 36 -0.929 8.849 -7.234 1.00 0.00 N ATOM 590 CA VAL A 36 -1.797 8.607 -6.099 1.00 0.00 C ATOM 591 C VAL A 36 -3.209 8.683 -6.674 1.00 0.00 C ATOM 592 O VAL A 36 -3.644 9.773 -7.040 1.00 0.00 O ATOM 593 CB VAL A 36 -1.566 9.724 -5.058 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.322 9.510 -3.750 1.00 0.00 C ATOM 595 CG2 VAL A 36 -0.079 9.895 -4.731 1.00 0.00 C ATOM 0 H VAL A 36 -0.555 9.798 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.618 7.652 -5.605 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.956 10.624 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.111 10.334 -3.069 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.393 9.471 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.004 8.572 -3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.043 10.690 -3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.314 8.962 -4.326 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.466 10.155 -5.639 1.00 0.00 H new ATOM 605 N ASN A 37 -3.908 7.561 -6.811 1.00 0.00 N ATOM 606 CA ASN A 37 -5.353 7.610 -7.013 1.00 0.00 C ATOM 607 C ASN A 37 -5.983 7.406 -5.635 1.00 0.00 C ATOM 608 O ASN A 37 -5.390 6.746 -4.776 1.00 0.00 O ATOM 609 CB ASN A 37 -5.799 6.539 -8.013 1.00 0.00 C ATOM 610 CG ASN A 37 -5.299 6.805 -9.430 1.00 0.00 C ATOM 611 OD1 ASN A 37 -5.859 7.606 -10.174 1.00 0.00 O ATOM 612 ND2 ASN A 37 -4.271 6.113 -9.886 1.00 0.00 N ATOM 0 H ASN A 37 -3.508 6.623 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.668 8.563 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.436 5.566 -7.682 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.888 6.487 -8.021 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.951 6.247 -10.845 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.797 5.444 -9.279 1.00 0.00 H new ATOM 619 N THR A 38 -7.172 7.962 -5.415 1.00 0.00 N ATOM 620 CA THR A 38 -7.888 7.895 -4.142 1.00 0.00 C ATOM 621 C THR A 38 -9.266 7.259 -4.367 1.00 0.00 C ATOM 622 O THR A 38 -9.824 7.378 -5.464 1.00 0.00 O ATOM 623 CB THR A 38 -7.951 9.300 -3.502 1.00 0.00 C ATOM 624 OG1 THR A 38 -8.471 10.292 -4.370 1.00 0.00 O ATOM 625 CG2 THR A 38 -6.574 9.788 -3.051 1.00 0.00 C ATOM 0 H THR A 38 -7.676 8.483 -6.132 1.00 0.00 H new ATOM 0 HA THR A 38 -7.359 7.259 -3.432 1.00 0.00 H new ATOM 0 HB THR A 38 -8.619 9.172 -2.651 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.292 10.040 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.667 10.779 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.167 9.097 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 38 -5.906 9.836 -3.911 1.00 0.00 H new ATOM 633 N TRP A 39 -9.807 6.563 -3.360 1.00 0.00 N ATOM 634 CA TRP A 39 -11.104 5.891 -3.417 1.00 0.00 C ATOM 635 C TRP A 39 -11.678 5.907 -2.002 1.00 0.00 C ATOM 636 O TRP A 39 -11.357 5.067 -1.159 1.00 0.00 O ATOM 637 CB TRP A 39 -10.955 4.473 -3.996 1.00 0.00 C ATOM 638 CG TRP A 39 -12.200 3.705 -4.324 1.00 0.00 C ATOM 639 CD1 TRP A 39 -13.039 3.997 -5.341 1.00 0.00 C ATOM 640 CD2 TRP A 39 -12.666 2.426 -3.788 1.00 0.00 C ATOM 641 NE1 TRP A 39 -13.966 2.987 -5.484 1.00 0.00 N ATOM 642 CE2 TRP A 39 -13.773 1.982 -4.568 1.00 0.00 C ATOM 643 CE3 TRP A 39 -12.241 1.567 -2.753 1.00 0.00 C ATOM 644 CZ2 TRP A 39 -14.393 0.739 -4.367 1.00 0.00 C ATOM 645 CZ3 TRP A 39 -12.848 0.314 -2.547 1.00 0.00 C ATOM 646 CH2 TRP A 39 -13.907 -0.111 -3.365 1.00 0.00 C ATOM 0 H TRP A 39 -9.340 6.451 -2.460 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.795 6.404 -4.086 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -10.360 4.546 -4.906 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -10.378 3.882 -3.285 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -12.991 4.887 -5.950 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -14.706 2.986 -6.186 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -11.434 1.877 -2.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -15.233 0.442 -4.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -12.496 -0.327 -1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -14.345 -1.088 -3.223 1.00 0.00 H new ATOM 657 N GLY A 40 -12.478 6.927 -1.704 1.00 0.00 N ATOM 658 CA GLY A 40 -13.104 7.106 -0.406 1.00 0.00 C ATOM 659 C GLY A 40 -12.098 7.525 0.651 1.00 0.00 C ATOM 660 O GLY A 40 -11.906 8.715 0.909 1.00 0.00 O ATOM 0 H GLY A 40 -12.711 7.662 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.888 7.860 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.584 6.176 -0.102 1.00 0.00 H new ATOM 664 N GLU A 41 -11.473 6.541 1.293 1.00 0.00 N ATOM 665 CA GLU A 41 -10.564 6.697 2.426 1.00 0.00 C ATOM 666 C GLU A 41 -9.422 5.690 2.257 1.00 0.00 C ATOM 667 O GLU A 41 -8.947 5.090 3.225 1.00 0.00 O ATOM 668 CB GLU A 41 -11.335 6.590 3.765 1.00 0.00 C ATOM 669 CG GLU A 41 -12.276 7.793 3.929 1.00 0.00 C ATOM 670 CD GLU A 41 -13.131 7.866 5.197 1.00 0.00 C ATOM 671 OE1 GLU A 41 -13.355 6.840 5.885 1.00 0.00 O ATOM 672 OE2 GLU A 41 -13.637 8.984 5.460 1.00 0.00 O ATOM 0 H GLU A 41 -11.593 5.564 1.024 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.117 7.691 2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.909 5.663 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.632 6.552 4.597 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.672 8.699 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.948 7.811 3.071 1.00 0.00 H new ATOM 679 N GLU A 42 -9.004 5.478 1.006 1.00 0.00 N ATOM 680 CA GLU A 42 -7.782 4.778 0.668 1.00 0.00 C ATOM 681 C GLU A 42 -7.012 5.568 -0.385 1.00 0.00 C ATOM 682 O GLU A 42 -7.581 6.411 -1.091 1.00 0.00 O ATOM 683 CB GLU A 42 -8.074 3.328 0.213 1.00 0.00 C ATOM 684 CG GLU A 42 -8.296 3.201 -1.306 1.00 0.00 C ATOM 685 CD GLU A 42 -8.819 1.841 -1.776 1.00 0.00 C ATOM 686 OE1 GLU A 42 -9.303 1.031 -0.952 1.00 0.00 O ATOM 687 OE2 GLU A 42 -8.793 1.593 -3.001 1.00 0.00 O ATOM 0 H GLU A 42 -9.524 5.799 0.189 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.157 4.702 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.242 2.688 0.507 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.958 2.962 0.735 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.000 3.972 -1.620 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.353 3.405 -1.813 1.00 0.00 H new ATOM 694 N ILE A 43 -5.737 5.211 -0.527 1.00 0.00 N ATOM 695 CA ILE A 43 -4.864 5.590 -1.619 1.00 0.00 C ATOM 696 C ILE A 43 -4.373 4.282 -2.217 1.00 0.00 C ATOM 697 O ILE A 43 -4.043 3.338 -1.493 1.00 0.00 O ATOM 698 CB ILE A 43 -3.703 6.461 -1.094 1.00 0.00 C ATOM 699 CG1 ILE A 43 -4.195 7.877 -0.731 1.00 0.00 C ATOM 700 CG2 ILE A 43 -2.548 6.573 -2.108 1.00 0.00 C ATOM 701 CD1 ILE A 43 -3.346 8.510 0.369 1.00 0.00 C ATOM 0 H ILE A 43 -5.267 4.618 0.157 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.373 6.191 -2.373 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.326 5.962 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.169 8.509 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.234 7.828 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.757 7.196 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.153 5.580 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.916 7.023 -3.030 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.726 9.506 0.594 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.393 7.892 1.266 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.312 8.584 0.033 1.00 0.00 H new ATOM 713 N TYR A 44 -4.243 4.260 -3.534 1.00 0.00 N ATOM 714 CA TYR A 44 -3.641 3.194 -4.302 1.00 0.00 C ATOM 715 C TYR A 44 -2.746 3.841 -5.351 1.00 0.00 C ATOM 716 O TYR A 44 -2.864 5.032 -5.649 1.00 0.00 O ATOM 717 CB TYR A 44 -4.736 2.286 -4.897 1.00 0.00 C ATOM 718 CG TYR A 44 -5.798 2.910 -5.797 1.00 0.00 C ATOM 719 CD1 TYR A 44 -6.755 3.811 -5.290 1.00 0.00 C ATOM 720 CD2 TYR A 44 -5.871 2.533 -7.153 1.00 0.00 C ATOM 721 CE1 TYR A 44 -7.743 4.347 -6.132 1.00 0.00 C ATOM 722 CE2 TYR A 44 -6.851 3.077 -8.005 1.00 0.00 C ATOM 723 CZ TYR A 44 -7.818 3.967 -7.488 1.00 0.00 C ATOM 724 OH TYR A 44 -8.807 4.477 -8.278 1.00 0.00 O ATOM 0 H TYR A 44 -4.573 5.026 -4.121 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.027 2.540 -3.683 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.240 1.501 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.250 1.801 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.729 4.091 -4.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -5.165 1.816 -7.544 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.453 5.058 -5.737 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -6.863 2.814 -9.052 1.00 0.00 H new ATOM 0 HH TYR A 44 -8.719 4.117 -9.185 1.00 0.00 H new ATOM 734 N PHE A 45 -1.829 3.051 -5.895 1.00 0.00 N ATOM 735 CA PHE A 45 -0.928 3.449 -6.960 1.00 0.00 C ATOM 736 C PHE A 45 -0.662 2.219 -7.819 1.00 0.00 C ATOM 737 O PHE A 45 -0.525 1.116 -7.279 1.00 0.00 O ATOM 738 CB PHE A 45 0.373 4.034 -6.401 1.00 0.00 C ATOM 739 CG PHE A 45 0.965 3.406 -5.142 1.00 0.00 C ATOM 740 CD1 PHE A 45 0.523 3.788 -3.856 1.00 0.00 C ATOM 741 CD2 PHE A 45 2.007 2.465 -5.269 1.00 0.00 C ATOM 742 CE1 PHE A 45 1.125 3.232 -2.705 1.00 0.00 C ATOM 743 CE2 PHE A 45 2.656 1.968 -4.124 1.00 0.00 C ATOM 744 CZ PHE A 45 2.224 2.366 -2.846 1.00 0.00 C ATOM 0 H PHE A 45 -1.691 2.086 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.381 4.236 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.127 3.979 -7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.202 5.091 -6.197 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.277 4.506 -3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.308 2.124 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.744 3.471 -1.723 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.484 1.282 -4.226 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.739 2.005 -1.968 1.00 0.00 H new ATOM 754 N SER A 46 -0.553 2.402 -9.135 1.00 0.00 N ATOM 755 CA SER A 46 -0.321 1.338 -10.100 1.00 0.00 C ATOM 756 C SER A 46 1.136 0.897 -10.024 1.00 0.00 C ATOM 757 O SER A 46 2.001 1.512 -10.658 1.00 0.00 O ATOM 758 CB SER A 46 -0.648 1.844 -11.505 1.00 0.00 C ATOM 759 OG SER A 46 -1.989 2.272 -11.588 1.00 0.00 O ATOM 0 H SER A 46 -0.626 3.323 -9.567 1.00 0.00 H new ATOM 0 HA SER A 46 -0.963 0.487 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.017 2.668 -11.763 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.470 1.051 -12.232 1.00 0.00 H new ATOM 0 HG SER A 46 -2.174 2.593 -12.495 1.00 0.00 H new ATOM 765 N THR A 47 1.431 -0.129 -9.228 1.00 0.00 N ATOM 766 CA THR A 47 2.784 -0.627 -9.097 1.00 0.00 C ATOM 767 C THR A 47 3.292 -1.154 -10.447 1.00 0.00 C ATOM 768 O THR A 47 2.507 -1.680 -11.242 1.00 0.00 O ATOM 769 CB THR A 47 2.874 -1.696 -7.993 1.00 0.00 C ATOM 770 OG1 THR A 47 2.007 -2.795 -8.231 1.00 0.00 O ATOM 771 CG2 THR A 47 2.485 -1.136 -6.623 1.00 0.00 C ATOM 0 H THR A 47 0.743 -0.628 -8.665 1.00 0.00 H new ATOM 0 HA THR A 47 3.432 0.197 -8.797 1.00 0.00 H new ATOM 0 HB THR A 47 3.915 -2.019 -8.005 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.373 -3.351 -8.950 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.562 -1.923 -5.873 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.156 -0.318 -6.361 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.460 -0.768 -6.658 1.00 0.00 H new ATOM 779 N PRO A 48 4.611 -1.088 -10.674 1.00 0.00 N ATOM 780 CA PRO A 48 5.244 -1.661 -11.851 1.00 0.00 C ATOM 781 C PRO A 48 5.171 -3.192 -11.821 1.00 0.00 C ATOM 782 O PRO A 48 4.938 -3.841 -12.840 1.00 0.00 O ATOM 783 CB PRO A 48 6.675 -1.120 -11.816 1.00 0.00 C ATOM 784 CG PRO A 48 6.942 -0.698 -10.374 1.00 0.00 C ATOM 785 CD PRO A 48 5.566 -0.384 -9.832 1.00 0.00 C ATOM 0 HA PRO A 48 4.749 -1.386 -12.783 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.386 -1.882 -12.135 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.787 -0.275 -12.495 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.424 -1.494 -9.806 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.599 0.170 -10.326 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.477 -0.706 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.379 0.690 -9.850 1.00 0.00 H new ATOM 793 N VAL A 49 5.349 -3.786 -10.639 1.00 0.00 N ATOM 794 CA VAL A 49 5.179 -5.216 -10.432 1.00 0.00 C ATOM 795 C VAL A 49 3.706 -5.590 -10.606 1.00 0.00 C ATOM 796 O VAL A 49 2.808 -4.766 -10.406 1.00 0.00 O ATOM 797 CB VAL A 49 5.736 -5.586 -9.049 1.00 0.00 C ATOM 798 CG1 VAL A 49 4.928 -4.969 -7.909 1.00 0.00 C ATOM 799 CG2 VAL A 49 5.799 -7.090 -8.802 1.00 0.00 C ATOM 0 H VAL A 49 5.617 -3.279 -9.795 1.00 0.00 H new ATOM 0 HA VAL A 49 5.736 -5.789 -11.174 1.00 0.00 H new ATOM 0 HB VAL A 49 6.748 -5.180 -9.058 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.364 -5.262 -6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.945 -3.883 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.898 -5.321 -7.961 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.202 -7.279 -7.807 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.797 -7.513 -8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.443 -7.555 -9.548 1.00 0.00 H new ATOM 809 N ASN A 50 3.459 -6.854 -10.953 1.00 0.00 N ATOM 810 CA ASN A 50 2.130 -7.356 -11.239 1.00 0.00 C ATOM 811 C ASN A 50 2.011 -8.862 -11.003 1.00 0.00 C ATOM 812 O ASN A 50 1.600 -9.619 -11.881 1.00 0.00 O ATOM 813 CB ASN A 50 1.720 -6.936 -12.655 1.00 0.00 C ATOM 814 CG ASN A 50 2.775 -7.130 -13.733 1.00 0.00 C ATOM 815 OD1 ASN A 50 2.995 -8.231 -14.231 1.00 0.00 O ATOM 816 ND2 ASN A 50 3.416 -6.059 -14.158 1.00 0.00 N ATOM 0 H ASN A 50 4.190 -7.560 -11.042 1.00 0.00 H new ATOM 0 HA ASN A 50 1.428 -6.908 -10.536 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.831 -7.499 -12.938 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.438 -5.883 -12.634 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.103 -6.140 -14.908 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.225 -5.150 -13.737 1.00 0.00 H new ATOM 823 N VAL A 51 2.335 -9.307 -9.794 1.00 0.00 N ATOM 824 CA VAL A 51 2.109 -10.657 -9.329 1.00 0.00 C ATOM 825 C VAL A 51 0.690 -10.793 -8.782 1.00 0.00 C ATOM 826 O VAL A 51 0.001 -9.786 -8.609 1.00 0.00 O ATOM 827 CB VAL A 51 3.172 -10.982 -8.266 1.00 0.00 C ATOM 828 CG1 VAL A 51 4.603 -10.747 -8.764 1.00 0.00 C ATOM 829 CG2 VAL A 51 2.996 -10.239 -6.937 1.00 0.00 C ATOM 0 H VAL A 51 2.777 -8.712 -9.093 1.00 0.00 H new ATOM 0 HA VAL A 51 2.201 -11.370 -10.148 1.00 0.00 H new ATOM 0 HB VAL A 51 3.013 -12.044 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.309 -10.993 -7.971 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.795 -11.380 -9.630 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.723 -9.701 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.790 -10.530 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.044 -9.164 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.029 -10.493 -6.503 1.00 0.00 H new ATOM 839 N GLN A 52 0.286 -12.019 -8.441 1.00 0.00 N ATOM 840 CA GLN A 52 -0.960 -12.293 -7.739 1.00 0.00 C ATOM 841 C GLN A 52 -0.877 -13.395 -6.676 1.00 0.00 C ATOM 842 O GLN A 52 -1.903 -13.929 -6.254 1.00 0.00 O ATOM 843 CB GLN A 52 -2.114 -12.451 -8.707 1.00 0.00 C ATOM 844 CG GLN A 52 -1.859 -13.179 -9.997 1.00 0.00 C ATOM 845 CD GLN A 52 -1.225 -14.566 -9.899 1.00 0.00 C ATOM 846 OE1 GLN A 52 -0.499 -14.993 -10.789 1.00 0.00 O ATOM 847 NE2 GLN A 52 -1.463 -15.323 -8.844 1.00 0.00 N ATOM 0 H GLN A 52 0.827 -12.858 -8.650 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.167 -11.406 -7.141 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.919 -12.969 -8.185 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.482 -11.455 -8.953 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.808 -13.277 -10.524 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.214 -12.555 -10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.065 -14.980 -8.096 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.044 -16.251 -8.777 1.00 0.00 H new ATOM 856 N LYS A 53 0.334 -13.792 -6.287 1.00 0.00 N ATOM 857 CA LYS A 53 0.537 -14.756 -5.209 1.00 0.00 C ATOM 858 C LYS A 53 0.157 -14.093 -3.888 1.00 0.00 C ATOM 859 O LYS A 53 0.663 -13.003 -3.605 1.00 0.00 O ATOM 860 CB LYS A 53 1.996 -15.226 -5.246 1.00 0.00 C ATOM 861 CG LYS A 53 2.238 -16.459 -4.361 1.00 0.00 C ATOM 862 CD LYS A 53 3.512 -17.176 -4.821 1.00 0.00 C ATOM 863 CE LYS A 53 3.863 -18.361 -3.924 1.00 0.00 C ATOM 864 NZ LYS A 53 5.194 -18.893 -4.267 1.00 0.00 N ATOM 0 H LYS A 53 1.199 -13.455 -6.710 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.093 -15.638 -5.325 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.273 -15.460 -6.274 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.645 -14.414 -4.918 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.334 -16.158 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.385 -17.136 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.381 -17.524 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.342 -16.470 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.847 -18.051 -2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.113 -19.144 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.416 -19.698 -3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.197 -19.208 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.909 -18.149 -4.138 1.00 0.00 H new ATOM 878 N MET A 54 -0.707 -14.707 -3.079 1.00 0.00 N ATOM 879 CA MET A 54 -1.245 -14.138 -1.850 1.00 0.00 C ATOM 880 C MET A 54 -1.231 -15.181 -0.736 1.00 0.00 C ATOM 881 O MET A 54 -2.135 -16.011 -0.625 1.00 0.00 O ATOM 882 CB MET A 54 -2.634 -13.526 -2.090 1.00 0.00 C ATOM 883 CG MET A 54 -3.760 -14.501 -2.460 1.00 0.00 C ATOM 884 SD MET A 54 -4.956 -13.881 -3.670 1.00 0.00 S ATOM 885 CE MET A 54 -6.187 -15.193 -3.510 1.00 0.00 C ATOM 0 H MET A 54 -1.061 -15.644 -3.270 1.00 0.00 H new ATOM 0 HA MET A 54 -0.607 -13.317 -1.523 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.930 -12.990 -1.189 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.548 -12.787 -2.887 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.313 -15.415 -2.851 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.296 -14.773 -1.551 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.020 -14.995 -4.184 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.733 -16.151 -3.765 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.552 -15.227 -2.483 1.00 0.00 H new ATOM 895 N GLU A 55 -0.174 -15.192 0.072 1.00 0.00 N ATOM 896 CA GLU A 55 -0.013 -16.200 1.107 1.00 0.00 C ATOM 897 C GLU A 55 -0.920 -15.975 2.327 1.00 0.00 C ATOM 898 O GLU A 55 -1.545 -16.931 2.790 1.00 0.00 O ATOM 899 CB GLU A 55 1.473 -16.324 1.480 1.00 0.00 C ATOM 900 CG GLU A 55 2.173 -17.447 0.691 1.00 0.00 C ATOM 901 CD GLU A 55 1.439 -18.791 0.790 1.00 0.00 C ATOM 902 OE1 GLU A 55 1.002 -19.152 1.909 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.176 -19.425 -0.262 1.00 0.00 O ATOM 0 H GLU A 55 0.584 -14.511 0.027 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.347 -17.154 0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.976 -15.377 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.564 -16.520 2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.248 -17.156 -0.357 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.191 -17.566 1.063 1.00 0.00 H new ATOM 910 N ASN A 56 -1.057 -14.738 2.834 1.00 0.00 N ATOM 911 CA ASN A 56 -1.868 -14.378 3.987 1.00 0.00 C ATOM 912 C ASN A 56 -3.006 -13.406 3.602 1.00 0.00 C ATOM 913 O ASN A 56 -3.010 -12.244 4.025 1.00 0.00 O ATOM 914 CB ASN A 56 -0.958 -13.781 5.073 1.00 0.00 C ATOM 915 CG ASN A 56 -0.275 -12.459 4.725 1.00 0.00 C ATOM 916 OD1 ASN A 56 0.333 -12.289 3.676 1.00 0.00 O ATOM 917 ND2 ASN A 56 -0.378 -11.481 5.626 1.00 0.00 N ATOM 0 H ASN A 56 -0.581 -13.934 2.426 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.349 -15.275 4.378 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.552 -13.634 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.187 -14.512 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.053 -10.574 5.446 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.888 -11.640 6.495 1.00 0.00 H new ATOM 924 N PRO A 57 -3.990 -13.843 2.795 1.00 0.00 N ATOM 925 CA PRO A 57 -5.083 -12.967 2.416 1.00 0.00 C ATOM 926 C PRO A 57 -5.978 -12.646 3.617 1.00 0.00 C ATOM 927 O PRO A 57 -6.061 -13.418 4.579 1.00 0.00 O ATOM 928 CB PRO A 57 -5.815 -13.667 1.267 1.00 0.00 C ATOM 929 CG PRO A 57 -5.461 -15.146 1.423 1.00 0.00 C ATOM 930 CD PRO A 57 -4.110 -15.129 2.135 1.00 0.00 C ATOM 0 HA PRO A 57 -4.729 -11.993 2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.892 -13.509 1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.492 -13.283 0.300 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.213 -15.677 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.397 -15.645 0.456 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.047 -15.941 2.860 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.298 -15.273 1.423 1.00 0.00 H new ATOM 938 N ARG A 58 -6.673 -11.506 3.545 1.00 0.00 N ATOM 939 CA ARG A 58 -7.752 -11.130 4.462 1.00 0.00 C ATOM 940 C ARG A 58 -8.812 -10.367 3.688 1.00 0.00 C ATOM 941 O ARG A 58 -8.492 -9.710 2.694 1.00 0.00 O ATOM 942 CB ARG A 58 -7.273 -10.223 5.616 1.00 0.00 C ATOM 943 CG ARG A 58 -6.291 -10.851 6.599 1.00 0.00 C ATOM 944 CD ARG A 58 -6.999 -11.911 7.443 1.00 0.00 C ATOM 945 NE ARG A 58 -6.239 -12.139 8.662 1.00 0.00 N ATOM 946 CZ ARG A 58 -6.441 -13.081 9.576 1.00 0.00 C ATOM 947 NH1 ARG A 58 -7.438 -13.953 9.496 1.00 0.00 N ATOM 948 NH2 ARG A 58 -5.619 -13.121 10.608 1.00 0.00 N ATOM 0 H ARG A 58 -6.495 -10.802 2.829 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.138 -12.054 4.892 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.808 -9.337 5.185 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -8.147 -9.885 6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.460 -11.302 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.870 -10.082 7.246 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -8.010 -11.583 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.092 -12.839 6.879 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.461 -11.502 8.835 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.086 -13.916 8.709 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.556 -14.661 10.221 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.861 -12.443 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.742 -13.830 11.331 1.00 0.00 H new ATOM 962 N GLU A 59 -10.031 -10.348 4.216 1.00 0.00 N ATOM 963 CA GLU A 59 -11.175 -9.637 3.650 1.00 0.00 C ATOM 964 C GLU A 59 -11.727 -8.578 4.617 1.00 0.00 C ATOM 965 O GLU A 59 -12.724 -7.931 4.310 1.00 0.00 O ATOM 966 CB GLU A 59 -12.206 -10.681 3.185 1.00 0.00 C ATOM 967 CG GLU A 59 -11.679 -11.371 1.916 1.00 0.00 C ATOM 968 CD GLU A 59 -12.416 -12.663 1.562 1.00 0.00 C ATOM 969 OE1 GLU A 59 -13.655 -12.657 1.392 1.00 0.00 O ATOM 970 OE2 GLU A 59 -11.744 -13.709 1.415 1.00 0.00 O ATOM 0 H GLU A 59 -10.259 -10.843 5.078 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.875 -9.056 2.778 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.378 -11.417 3.970 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.164 -10.201 2.983 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.758 -10.678 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.620 -11.593 2.048 1.00 0.00 H new ATOM 977 N VAL A 60 -11.064 -8.356 5.757 1.00 0.00 N ATOM 978 CA VAL A 60 -11.318 -7.265 6.698 1.00 0.00 C ATOM 979 C VAL A 60 -9.946 -6.767 7.155 1.00 0.00 C ATOM 980 O VAL A 60 -9.009 -7.570 7.274 1.00 0.00 O ATOM 981 CB VAL A 60 -12.160 -7.766 7.892 1.00 0.00 C ATOM 982 CG1 VAL A 60 -12.520 -6.653 8.885 1.00 0.00 C ATOM 983 CG2 VAL A 60 -13.456 -8.457 7.438 1.00 0.00 C ATOM 0 H VAL A 60 -10.301 -8.961 6.061 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.887 -6.459 6.234 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.520 -8.488 8.399 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -13.112 -7.070 9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.607 -6.214 9.287 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.098 -5.883 8.374 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.015 -8.792 8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -14.063 -7.754 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.211 -9.315 6.813 1.00 0.00 H new ATOM 993 N VAL A 61 -9.805 -5.464 7.394 1.00 0.00 N ATOM 994 CA VAL A 61 -8.535 -4.836 7.756 1.00 0.00 C ATOM 995 C VAL A 61 -8.763 -3.767 8.838 1.00 0.00 C ATOM 996 O VAL A 61 -9.880 -3.630 9.347 1.00 0.00 O ATOM 997 CB VAL A 61 -7.814 -4.335 6.479 1.00 0.00 C ATOM 998 CG1 VAL A 61 -7.393 -5.488 5.545 1.00 0.00 C ATOM 999 CG2 VAL A 61 -8.636 -3.319 5.680 1.00 0.00 C ATOM 0 H VAL A 61 -10.582 -4.805 7.341 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.857 -5.560 8.208 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.920 -3.835 6.851 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.893 -5.080 4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.712 -6.155 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.277 -6.045 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.074 -3.009 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.576 -3.775 5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.844 -2.449 6.303 1.00 0.00 H new ATOM 1009 N GLU A 62 -7.692 -3.114 9.279 1.00 0.00 N ATOM 1010 CA GLU A 62 -7.640 -2.070 10.297 1.00 0.00 C ATOM 1011 C GLU A 62 -7.864 -0.678 9.677 1.00 0.00 C ATOM 1012 O GLU A 62 -8.217 -0.539 8.504 1.00 0.00 O ATOM 1013 CB GLU A 62 -6.278 -2.175 11.009 1.00 0.00 C ATOM 1014 CG GLU A 62 -6.194 -3.383 11.943 1.00 0.00 C ATOM 1015 CD GLU A 62 -6.652 -3.031 13.358 1.00 0.00 C ATOM 1016 OE1 GLU A 62 -7.818 -2.587 13.513 1.00 0.00 O ATOM 1017 OE2 GLU A 62 -5.835 -3.120 14.304 1.00 0.00 O ATOM 0 H GLU A 62 -6.765 -3.317 8.904 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.441 -2.207 11.024 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.486 -2.242 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.100 -1.265 11.582 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.811 -4.191 11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.168 -3.751 11.972 1.00 0.00 H new ATOM 1024 N ILE A 63 -7.611 0.381 10.450 1.00 0.00 N ATOM 1025 CA ILE A 63 -7.386 1.743 9.956 1.00 0.00 C ATOM 1026 C ILE A 63 -5.893 1.992 9.695 1.00 0.00 C ATOM 1027 O ILE A 63 -5.527 2.972 9.070 1.00 0.00 O ATOM 1028 CB ILE A 63 -8.033 2.785 10.917 1.00 0.00 C ATOM 1029 CG1 ILE A 63 -9.525 2.431 11.088 1.00 0.00 C ATOM 1030 CG2 ILE A 63 -7.902 4.241 10.429 1.00 0.00 C ATOM 1031 CD1 ILE A 63 -10.410 3.462 11.790 1.00 0.00 C ATOM 0 H ILE A 63 -7.555 0.313 11.466 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.882 1.864 8.993 1.00 0.00 H new ATOM 0 HB ILE A 63 -7.496 2.731 11.864 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.944 2.243 10.099 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.589 1.496 11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.375 4.910 11.148 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.847 4.499 10.333 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.391 4.345 9.460 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.432 3.088 11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.035 3.637 12.798 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -10.395 4.397 11.229 1.00 0.00 H new ATOM 1043 N GLY A 64 -5.018 1.079 10.091 1.00 0.00 N ATOM 1044 CA GLY A 64 -3.637 1.020 9.696 1.00 0.00 C ATOM 1045 C GLY A 64 -3.350 -0.449 9.424 1.00 0.00 C ATOM 1046 O GLY A 64 -2.811 -1.152 10.282 1.00 0.00 O ATOM 0 H GLY A 64 -5.275 0.326 10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.458 1.625 8.807 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.988 1.407 10.482 1.00 0.00 H new ATOM 1050 N ASP A 65 -3.689 -0.901 8.222 1.00 0.00 N ATOM 1051 CA ASP A 65 -3.118 -1.993 7.441 1.00 0.00 C ATOM 1052 C ASP A 65 -3.113 -1.508 5.979 1.00 0.00 C ATOM 1053 O ASP A 65 -3.486 -0.388 5.631 1.00 0.00 O ATOM 1054 CB ASP A 65 -4.011 -3.239 7.455 1.00 0.00 C ATOM 1055 CG ASP A 65 -4.219 -4.016 8.748 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -3.234 -4.186 9.508 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -5.321 -4.582 8.915 1.00 0.00 O ATOM 0 H ASP A 65 -4.457 -0.462 7.714 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.139 -2.246 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.995 -2.936 7.098 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.606 -3.935 6.721 1.00 0.00 H new ATOM 1062 N VAL A 66 -2.716 -2.418 5.105 1.00 0.00 N ATOM 1063 CA VAL A 66 -2.333 -2.304 3.722 1.00 0.00 C ATOM 1064 C VAL A 66 -2.720 -3.578 2.982 1.00 0.00 C ATOM 1065 O VAL A 66 -2.909 -4.628 3.606 1.00 0.00 O ATOM 1066 CB VAL A 66 -0.815 -1.967 3.712 1.00 0.00 C ATOM 1067 CG1 VAL A 66 -0.698 -0.448 3.791 1.00 0.00 C ATOM 1068 CG2 VAL A 66 -0.067 -2.367 4.978 1.00 0.00 C ATOM 0 H VAL A 66 -2.649 -3.391 5.403 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.852 -1.508 3.188 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.412 -2.476 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.354 -0.163 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.199 0.001 2.933 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.166 -0.094 4.710 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.984 -2.094 4.881 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.499 -1.850 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.150 -3.444 5.125 1.00 0.00 H new ATOM 1078 N GLY A 67 -2.759 -3.531 1.657 1.00 0.00 N ATOM 1079 CA GLY A 67 -2.788 -4.742 0.867 1.00 0.00 C ATOM 1080 C GLY A 67 -2.436 -4.450 -0.581 1.00 0.00 C ATOM 1081 O GLY A 67 -2.819 -3.407 -1.103 1.00 0.00 O ATOM 0 H GLY A 67 -2.771 -2.668 1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.085 -5.466 1.278 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.779 -5.193 0.921 1.00 0.00 H new ATOM 1085 N TYR A 68 -1.731 -5.360 -1.253 1.00 0.00 N ATOM 1086 CA TYR A 68 -1.561 -5.286 -2.701 1.00 0.00 C ATOM 1087 C TYR A 68 -2.895 -5.614 -3.400 1.00 0.00 C ATOM 1088 O TYR A 68 -3.786 -6.206 -2.789 1.00 0.00 O ATOM 1089 CB TYR A 68 -0.401 -6.195 -3.143 1.00 0.00 C ATOM 1090 CG TYR A 68 -0.784 -7.602 -3.566 1.00 0.00 C ATOM 1091 CD1 TYR A 68 -1.697 -8.360 -2.807 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -0.288 -8.123 -4.774 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -2.180 -9.585 -3.287 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.717 -9.379 -5.228 1.00 0.00 C ATOM 1095 CZ TYR A 68 -1.680 -10.105 -4.495 1.00 0.00 C ATOM 1096 OH TYR A 68 -2.140 -11.290 -4.962 1.00 0.00 O ATOM 0 H TYR A 68 -1.269 -6.157 -0.816 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.291 -4.273 -2.999 1.00 0.00 H new ATOM 0 HB2 TYR A 68 0.115 -5.714 -3.974 1.00 0.00 H new ATOM 0 HB3 TYR A 68 0.313 -6.265 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -2.028 -7.994 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.425 -7.555 -5.354 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.932 -10.127 -2.733 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.310 -9.791 -6.140 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.068 -11.418 -4.673 1.00 0.00 H new ATOM 1106 N TRP A 69 -3.033 -5.279 -4.681 1.00 0.00 N ATOM 1107 CA TRP A 69 -4.282 -5.379 -5.425 1.00 0.00 C ATOM 1108 C TRP A 69 -4.018 -5.970 -6.814 1.00 0.00 C ATOM 1109 O TRP A 69 -3.740 -5.211 -7.748 1.00 0.00 O ATOM 1110 CB TRP A 69 -5.014 -4.030 -5.455 1.00 0.00 C ATOM 1111 CG TRP A 69 -6.499 -4.136 -5.626 1.00 0.00 C ATOM 1112 CD1 TRP A 69 -7.316 -4.792 -4.776 1.00 0.00 C ATOM 1113 CD2 TRP A 69 -7.381 -3.552 -6.632 1.00 0.00 C ATOM 1114 NE1 TRP A 69 -8.629 -4.622 -5.147 1.00 0.00 N ATOM 1115 CE2 TRP A 69 -8.734 -3.848 -6.277 1.00 0.00 C ATOM 1116 CE3 TRP A 69 -7.187 -2.780 -7.796 1.00 0.00 C ATOM 1117 CZ2 TRP A 69 -9.831 -3.379 -7.011 1.00 0.00 C ATOM 1118 CZ3 TRP A 69 -8.283 -2.320 -8.551 1.00 0.00 C ATOM 1119 CH2 TRP A 69 -9.602 -2.601 -8.153 1.00 0.00 C ATOM 0 H TRP A 69 -2.259 -4.922 -5.242 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.958 -6.066 -4.917 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.804 -3.496 -4.528 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -4.609 -3.428 -6.269 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -6.986 -5.369 -3.925 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -9.424 -5.020 -4.647 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -6.183 -2.538 -8.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -10.839 -3.614 -6.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -8.108 -1.744 -9.448 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -10.434 -2.219 -8.725 1.00 0.00 H new ATOM 1130 N PRO A 70 -4.017 -7.308 -6.982 1.00 0.00 N ATOM 1131 CA PRO A 70 -3.697 -7.913 -8.269 1.00 0.00 C ATOM 1132 C PRO A 70 -4.680 -7.581 -9.415 1.00 0.00 C ATOM 1133 O PRO A 70 -4.223 -7.576 -10.559 1.00 0.00 O ATOM 1134 CB PRO A 70 -3.599 -9.417 -7.993 1.00 0.00 C ATOM 1135 CG PRO A 70 -4.595 -9.650 -6.856 1.00 0.00 C ATOM 1136 CD PRO A 70 -4.643 -8.306 -6.109 1.00 0.00 C ATOM 0 HA PRO A 70 -2.763 -7.498 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.857 -10.002 -8.876 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.588 -9.705 -7.704 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.577 -9.927 -7.239 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.268 -10.458 -6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.672 -8.028 -5.881 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.113 -8.374 -5.159 1.00 0.00 H new ATOM 1144 N PRO A 71 -5.985 -7.277 -9.223 1.00 0.00 N ATOM 1145 CA PRO A 71 -6.899 -7.105 -10.345 1.00 0.00 C ATOM 1146 C PRO A 71 -6.614 -5.800 -11.104 1.00 0.00 C ATOM 1147 O PRO A 71 -6.790 -5.774 -12.321 1.00 0.00 O ATOM 1148 CB PRO A 71 -8.313 -7.206 -9.761 1.00 0.00 C ATOM 1149 CG PRO A 71 -8.147 -6.788 -8.301 1.00 0.00 C ATOM 1150 CD PRO A 71 -6.742 -7.200 -7.988 1.00 0.00 C ATOM 0 HA PRO A 71 -6.772 -7.876 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.008 -6.551 -10.286 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.706 -8.219 -9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.291 -5.716 -8.170 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.868 -7.288 -7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.282 -6.482 -7.309 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.737 -8.166 -7.483 1.00 0.00 H new ATOM 1158 N GLY A 72 -6.081 -4.775 -10.427 1.00 0.00 N ATOM 1159 CA GLY A 72 -5.639 -3.524 -11.038 1.00 0.00 C ATOM 1160 C GLY A 72 -4.126 -3.317 -10.990 1.00 0.00 C ATOM 1161 O GLY A 72 -3.667 -2.218 -11.313 1.00 0.00 O ATOM 0 H GLY A 72 -5.944 -4.797 -9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.967 -3.502 -12.077 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.127 -2.691 -10.532 1.00 0.00 H new ATOM 1165 N LYS A 73 -3.352 -4.343 -10.602 1.00 0.00 N ATOM 1166 CA LYS A 73 -1.899 -4.292 -10.403 1.00 0.00 C ATOM 1167 C LYS A 73 -1.502 -3.047 -9.595 1.00 0.00 C ATOM 1168 O LYS A 73 -0.709 -2.217 -10.047 1.00 0.00 O ATOM 1169 CB LYS A 73 -1.196 -4.350 -11.768 1.00 0.00 C ATOM 1170 CG LYS A 73 -1.448 -5.636 -12.576 1.00 0.00 C ATOM 1171 CD LYS A 73 -0.897 -5.430 -14.006 1.00 0.00 C ATOM 1172 CE LYS A 73 -1.942 -5.345 -15.111 1.00 0.00 C ATOM 1173 NZ LYS A 73 -2.336 -6.667 -15.636 1.00 0.00 N ATOM 0 H LYS A 73 -3.739 -5.267 -10.411 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.578 -5.155 -9.820 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.520 -3.496 -12.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.123 -4.241 -11.612 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.958 -6.485 -12.100 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.514 -5.860 -12.609 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.306 -4.514 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -0.218 -6.251 -14.236 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.826 -4.834 -14.729 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.551 -4.738 -15.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.048 -6.545 -16.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.501 -7.148 -16.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -2.737 -7.241 -14.867 1.00 0.00 H new ATOM 1187 N ALA A 74 -2.088 -2.894 -8.406 1.00 0.00 N ATOM 1188 CA ALA A 74 -1.932 -1.706 -7.578 1.00 0.00 C ATOM 1189 C ALA A 74 -1.528 -2.063 -6.148 1.00 0.00 C ATOM 1190 O ALA A 74 -1.408 -3.240 -5.792 1.00 0.00 O ATOM 1191 CB ALA A 74 -3.226 -0.880 -7.620 1.00 0.00 C ATOM 0 H ALA A 74 -2.691 -3.603 -7.990 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.120 -1.100 -7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.110 0.009 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.434 -0.582 -8.648 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.053 -1.480 -7.242 1.00 0.00 H new ATOM 1197 N LEU A 75 -1.298 -1.042 -5.325 1.00 0.00 N ATOM 1198 CA LEU A 75 -1.272 -1.110 -3.867 1.00 0.00 C ATOM 1199 C LEU A 75 -2.617 -0.655 -3.300 1.00 0.00 C ATOM 1200 O LEU A 75 -3.416 -0.126 -4.056 1.00 0.00 O ATOM 1201 CB LEU A 75 -0.170 -0.160 -3.355 1.00 0.00 C ATOM 1202 CG LEU A 75 0.774 -0.816 -2.347 1.00 0.00 C ATOM 1203 CD1 LEU A 75 0.057 -1.459 -1.162 1.00 0.00 C ATOM 1204 CD2 LEU A 75 1.665 -1.828 -3.058 1.00 0.00 C ATOM 0 H LEU A 75 -1.116 -0.101 -5.674 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.077 -2.135 -3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.411 0.202 -4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.636 0.710 -2.893 1.00 0.00 H new ATOM 0 HG LEU A 75 1.384 -0.019 -1.922 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.791 -1.904 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.513 -0.700 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.620 -2.233 -1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.336 -2.293 -2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.045 -2.595 -3.523 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.252 -1.321 -3.824 1.00 0.00 H new ATOM 1216 N CYS A 76 -2.828 -0.752 -1.988 1.00 0.00 N ATOM 1217 CA CYS A 76 -3.857 -0.066 -1.223 1.00 0.00 C ATOM 1218 C CYS A 76 -3.335 0.255 0.180 1.00 0.00 C ATOM 1219 O CYS A 76 -2.697 -0.583 0.825 1.00 0.00 O ATOM 1220 CB CYS A 76 -5.097 -0.956 -1.084 1.00 0.00 C ATOM 1221 SG CYS A 76 -5.907 -1.369 -2.660 1.00 0.00 S ATOM 0 H CYS A 76 -2.247 -1.349 -1.399 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.118 0.853 -1.748 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -4.811 -1.881 -0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -5.819 -0.454 -0.439 1.00 0.00 H new ATOM 0 HG CYS A 76 -5.181 -0.935 -3.648 1.00 0.00 H new ATOM 1227 N LEU A 77 -3.631 1.469 0.640 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.434 2.058 1.948 1.00 0.00 C ATOM 1229 C LEU A 77 -4.806 2.522 2.412 1.00 0.00 C ATOM 1230 O LEU A 77 -5.300 3.484 1.828 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.555 3.311 1.786 1.00 0.00 C ATOM 1232 CG LEU A 77 -1.063 3.013 1.809 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -0.487 2.319 0.595 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -0.282 4.286 2.113 1.00 0.00 C ATOM 0 H LEU A 77 -4.072 2.144 0.015 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.973 1.355 2.642 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.805 3.801 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.789 4.015 2.584 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.951 2.277 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.583 2.165 0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.978 1.355 0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.650 2.936 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.785 4.064 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.487 5.031 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.585 4.675 3.085 1.00 0.00 H new ATOM 1246 N PHE A 78 -5.415 1.883 3.408 1.00 0.00 N ATOM 1247 CA PHE A 78 -6.754 2.249 3.899 1.00 0.00 C ATOM 1248 C PHE A 78 -6.602 2.981 5.233 1.00 0.00 C ATOM 1249 O PHE A 78 -5.833 2.509 6.069 1.00 0.00 O ATOM 1250 CB PHE A 78 -7.644 1.003 4.064 1.00 0.00 C ATOM 1251 CG PHE A 78 -7.371 -0.139 3.101 1.00 0.00 C ATOM 1252 CD1 PHE A 78 -7.969 -0.140 1.829 1.00 0.00 C ATOM 1253 CD2 PHE A 78 -6.527 -1.205 3.476 1.00 0.00 C ATOM 1254 CE1 PHE A 78 -7.778 -1.223 0.958 1.00 0.00 C ATOM 1255 CE2 PHE A 78 -6.310 -2.278 2.591 1.00 0.00 C ATOM 1256 CZ PHE A 78 -6.944 -2.288 1.335 1.00 0.00 C ATOM 0 H PHE A 78 -4.998 1.094 3.903 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.239 2.901 3.172 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.529 0.630 5.082 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.685 1.306 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.578 0.697 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.047 -1.198 4.443 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -8.272 -1.238 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.659 -3.091 2.875 1.00 0.00 H new ATOM 0 HZ PHE A 78 -6.789 -3.116 0.660 1.00 0.00 H new ATOM 1266 N PHE A 79 -7.282 4.117 5.433 1.00 0.00 N ATOM 1267 CA PHE A 79 -7.038 4.993 6.583 1.00 0.00 C ATOM 1268 C PHE A 79 -8.302 5.717 7.090 1.00 0.00 C ATOM 1269 O PHE A 79 -8.240 6.860 7.555 1.00 0.00 O ATOM 1270 CB PHE A 79 -5.879 5.937 6.245 1.00 0.00 C ATOM 1271 CG PHE A 79 -6.060 6.707 4.957 1.00 0.00 C ATOM 1272 CD1 PHE A 79 -6.816 7.893 4.919 1.00 0.00 C ATOM 1273 CD2 PHE A 79 -5.516 6.187 3.775 1.00 0.00 C ATOM 1274 CE1 PHE A 79 -7.071 8.525 3.685 1.00 0.00 C ATOM 1275 CE2 PHE A 79 -5.703 6.856 2.559 1.00 0.00 C ATOM 1276 CZ PHE A 79 -6.497 8.017 2.506 1.00 0.00 C ATOM 0 H PHE A 79 -8.013 4.452 4.805 1.00 0.00 H new ATOM 0 HA PHE A 79 -6.749 4.378 7.435 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.752 6.646 7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.959 5.356 6.181 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -7.200 8.319 5.834 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.951 5.267 3.802 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -7.706 9.398 3.645 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.237 6.480 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.665 8.516 1.563 1.00 0.00 H new ATOM 1286 N GLY A 80 -9.459 5.066 7.017 1.00 0.00 N ATOM 1287 CA GLY A 80 -10.738 5.485 7.585 1.00 0.00 C ATOM 1288 C GLY A 80 -11.656 4.272 7.631 1.00 0.00 C ATOM 1289 O GLY A 80 -11.250 3.273 8.222 1.00 0.00 O ATOM 0 H GLY A 80 -9.534 4.174 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.595 5.892 8.586 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.182 6.276 6.980 1.00 0.00 H new ATOM 1293 N LYS A 81 -12.824 4.299 6.975 1.00 0.00 N ATOM 1294 CA LYS A 81 -13.685 3.130 6.774 1.00 0.00 C ATOM 1295 C LYS A 81 -14.037 2.882 5.303 1.00 0.00 C ATOM 1296 O LYS A 81 -14.827 1.975 5.046 1.00 0.00 O ATOM 1297 CB LYS A 81 -14.928 3.197 7.692 1.00 0.00 C ATOM 1298 CG LYS A 81 -15.500 1.796 8.007 1.00 0.00 C ATOM 1299 CD LYS A 81 -16.991 1.585 7.709 1.00 0.00 C ATOM 1300 CE LYS A 81 -17.957 2.125 8.763 1.00 0.00 C ATOM 1301 NZ LYS A 81 -17.926 1.351 10.023 1.00 0.00 N ATOM 0 H LYS A 81 -13.202 5.151 6.562 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.109 2.253 7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.662 3.697 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.698 3.802 7.214 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.931 1.059 7.440 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.330 1.587 9.063 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -17.223 2.056 6.754 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -17.172 0.517 7.589 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -17.710 3.165 8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -18.970 2.113 8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -18.636 1.731 10.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -18.138 0.353 9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -16.982 1.425 10.452 1.00 0.00 H new ATOM 1315 N THR A 82 -13.469 3.630 4.351 1.00 0.00 N ATOM 1316 CA THR A 82 -13.534 3.318 2.914 1.00 0.00 C ATOM 1317 C THR A 82 -14.970 3.337 2.333 1.00 0.00 C ATOM 1318 O THR A 82 -15.940 3.605 3.051 1.00 0.00 O ATOM 1319 CB THR A 82 -12.652 2.073 2.569 1.00 0.00 C ATOM 1320 OG1 THR A 82 -12.210 1.347 3.703 1.00 0.00 O ATOM 1321 CG2 THR A 82 -11.373 2.514 1.842 1.00 0.00 C ATOM 0 H THR A 82 -12.944 4.480 4.556 1.00 0.00 H new ATOM 0 HA THR A 82 -13.075 4.141 2.366 1.00 0.00 H new ATOM 0 HB THR A 82 -13.297 1.439 1.961 1.00 0.00 H new ATOM 0 HG1 THR A 82 -11.668 0.584 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.768 1.638 1.607 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.638 3.030 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.804 3.187 2.483 1.00 0.00 H new ATOM 1329 N PRO A 83 -15.122 3.315 0.987 1.00 0.00 N ATOM 1330 CA PRO A 83 -16.410 3.424 0.310 1.00 0.00 C ATOM 1331 C PRO A 83 -17.075 2.065 0.033 1.00 0.00 C ATOM 1332 O PRO A 83 -18.049 2.033 -0.719 1.00 0.00 O ATOM 1333 CB PRO A 83 -16.083 4.168 -0.992 1.00 0.00 C ATOM 1334 CG PRO A 83 -14.745 3.547 -1.371 1.00 0.00 C ATOM 1335 CD PRO A 83 -14.069 3.308 -0.020 1.00 0.00 C ATOM 0 HA PRO A 83 -17.139 3.945 0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -16.841 4.006 -1.758 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -16.007 5.245 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.876 2.617 -1.925 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.157 4.214 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.538 2.356 -0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.332 4.085 0.186 1.00 0.00 H new ATOM 1343 N MET A 84 -16.523 0.944 0.519 1.00 0.00 N ATOM 1344 CA MET A 84 -17.034 -0.398 0.225 1.00 0.00 C ATOM 1345 C MET A 84 -17.132 -1.172 1.539 1.00 0.00 C ATOM 1346 O MET A 84 -16.425 -2.156 1.777 1.00 0.00 O ATOM 1347 CB MET A 84 -16.183 -1.066 -0.872 1.00 0.00 C ATOM 1348 CG MET A 84 -17.025 -1.950 -1.806 1.00 0.00 C ATOM 1349 SD MET A 84 -17.667 -3.508 -1.121 1.00 0.00 S ATOM 1350 CE MET A 84 -16.186 -4.539 -1.238 1.00 0.00 C ATOM 0 H MET A 84 -15.706 0.945 1.130 1.00 0.00 H new ATOM 0 HA MET A 84 -18.040 -0.369 -0.194 1.00 0.00 H new ATOM 0 HB2 MET A 84 -15.681 -0.296 -1.458 1.00 0.00 H new ATOM 0 HB3 MET A 84 -15.404 -1.671 -0.407 1.00 0.00 H new ATOM 0 HG2 MET A 84 -17.872 -1.360 -2.156 1.00 0.00 H new ATOM 0 HG3 MET A 84 -16.420 -2.189 -2.681 1.00 0.00 H new ATOM 0 HE1 MET A 84 -16.246 -5.347 -0.509 1.00 0.00 H new ATOM 0 HE2 MET A 84 -16.114 -4.960 -2.241 1.00 0.00 H new ATOM 0 HE3 MET A 84 -15.303 -3.932 -1.035 1.00 0.00 H new ATOM 1360 N SER A 85 -17.978 -0.676 2.436 1.00 0.00 N ATOM 1361 CA SER A 85 -18.153 -1.172 3.791 1.00 0.00 C ATOM 1362 C SER A 85 -19.533 -0.783 4.304 1.00 0.00 C ATOM 1363 O SER A 85 -20.247 0.007 3.682 1.00 0.00 O ATOM 1364 CB SER A 85 -17.098 -0.543 4.701 1.00 0.00 C ATOM 1365 OG SER A 85 -17.059 0.853 4.448 1.00 0.00 O ATOM 0 H SER A 85 -18.585 0.117 2.227 1.00 0.00 H new ATOM 0 HA SER A 85 -18.050 -2.257 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.339 -0.732 5.747 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.121 -0.989 4.513 1.00 0.00 H new ATOM 0 HG SER A 85 -16.301 1.251 4.925 1.00 0.00 H new ATOM 1371 N ASP A 86 -19.855 -1.270 5.500 1.00 0.00 N ATOM 1372 CA ASP A 86 -20.824 -0.630 6.377 1.00 0.00 C ATOM 1373 C ASP A 86 -20.417 -0.894 7.817 1.00 0.00 C ATOM 1374 O ASP A 86 -20.238 0.018 8.622 1.00 0.00 O ATOM 1375 CB ASP A 86 -22.237 -1.164 6.090 1.00 0.00 C ATOM 1376 CG ASP A 86 -23.331 -0.153 6.429 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -23.082 0.788 7.221 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -24.406 -0.264 5.799 1.00 0.00 O ATOM 0 H ASP A 86 -19.448 -2.122 5.886 1.00 0.00 H new ATOM 0 HA ASP A 86 -20.840 0.445 6.200 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -22.312 -1.434 5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -22.400 -2.076 6.665 1.00 0.00 H new ATOM 1383 N ASP A 87 -20.171 -2.164 8.138 1.00 0.00 N ATOM 1384 CA ASP A 87 -19.986 -2.581 9.529 1.00 0.00 C ATOM 1385 C ASP A 87 -18.576 -2.201 9.953 1.00 0.00 C ATOM 1386 O ASP A 87 -18.376 -1.428 10.890 1.00 0.00 O ATOM 1387 CB ASP A 87 -20.156 -4.099 9.709 1.00 0.00 C ATOM 1388 CG ASP A 87 -21.604 -4.576 9.817 1.00 0.00 C ATOM 1389 OD1 ASP A 87 -22.339 -4.166 10.738 1.00 0.00 O ATOM 1390 OD2 ASP A 87 -21.931 -5.549 9.097 1.00 0.00 O ATOM 0 H ASP A 87 -20.095 -2.920 7.457 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.743 -2.085 10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.684 -4.605 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -19.620 -4.406 10.607 1.00 0.00 H new ATOM 1395 N LYS A 88 -17.595 -2.737 9.231 1.00 0.00 N ATOM 1396 CA LYS A 88 -16.169 -2.774 9.533 1.00 0.00 C ATOM 1397 C LYS A 88 -15.398 -2.332 8.289 1.00 0.00 C ATOM 1398 O LYS A 88 -15.999 -2.249 7.214 1.00 0.00 O ATOM 1399 CB LYS A 88 -15.815 -4.207 9.984 1.00 0.00 C ATOM 1400 CG LYS A 88 -16.052 -5.249 8.870 1.00 0.00 C ATOM 1401 CD LYS A 88 -16.081 -6.706 9.348 1.00 0.00 C ATOM 1402 CE LYS A 88 -17.398 -7.087 10.035 1.00 0.00 C ATOM 1403 NZ LYS A 88 -17.297 -7.143 11.507 1.00 0.00 N ATOM 0 H LYS A 88 -17.797 -3.196 8.343 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.898 -2.094 10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.770 -4.240 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.414 -4.469 10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.998 -5.024 8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.268 -5.143 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -15.919 -7.365 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.256 -6.872 10.040 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.166 -6.365 9.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -17.725 -8.058 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -18.241 -7.015 11.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.913 -8.066 11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.666 -6.387 11.841 1.00 0.00 H new ATOM 1417 N ILE A 89 -14.097 -2.067 8.406 1.00 0.00 N ATOM 1418 CA ILE A 89 -13.289 -1.735 7.239 1.00 0.00 C ATOM 1419 C ILE A 89 -13.115 -3.010 6.428 1.00 0.00 C ATOM 1420 O ILE A 89 -12.558 -3.988 6.938 1.00 0.00 O ATOM 1421 CB ILE A 89 -11.923 -1.142 7.638 1.00 0.00 C ATOM 1422 CG1 ILE A 89 -12.105 0.176 8.412 1.00 0.00 C ATOM 1423 CG2 ILE A 89 -11.094 -0.839 6.376 1.00 0.00 C ATOM 1424 CD1 ILE A 89 -11.723 0.153 9.882 1.00 0.00 C ATOM 0 H ILE A 89 -13.586 -2.076 9.289 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.791 -0.969 6.647 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.414 -1.872 8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.515 0.947 7.917 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.150 0.476 8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.130 -0.420 6.666 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.936 -1.760 5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.629 -0.122 5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -11.895 1.137 10.318 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -12.330 -0.587 10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.669 -0.108 9.980 1.00 0.00 H new ATOM 1436 N GLN A 90 -13.539 -2.983 5.165 1.00 0.00 N ATOM 1437 CA GLN A 90 -13.243 -4.035 4.221 1.00 0.00 C ATOM 1438 C GLN A 90 -12.678 -3.447 2.922 1.00 0.00 C ATOM 1439 O GLN A 90 -13.145 -2.396 2.482 1.00 0.00 O ATOM 1440 CB GLN A 90 -14.503 -4.849 3.933 1.00 0.00 C ATOM 1441 CG GLN A 90 -15.027 -5.576 5.179 1.00 0.00 C ATOM 1442 CD GLN A 90 -15.871 -6.827 4.910 1.00 0.00 C ATOM 1443 OE1 GLN A 90 -16.595 -7.282 5.793 1.00 0.00 O ATOM 1444 NE2 GLN A 90 -15.821 -7.441 3.737 1.00 0.00 N ATOM 0 H GLN A 90 -14.099 -2.224 4.776 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.491 -4.693 4.655 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.279 -4.188 3.548 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.290 -5.579 3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.175 -5.860 5.797 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.624 -4.875 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.225 -7.075 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.379 -8.280 3.576 1.00 0.00 H new ATOM 1453 N PRO A 91 -11.726 -4.150 2.283 1.00 0.00 N ATOM 1454 CA PRO A 91 -11.147 -3.766 1.003 1.00 0.00 C ATOM 1455 C PRO A 91 -12.088 -4.028 -0.173 1.00 0.00 C ATOM 1456 O PRO A 91 -13.094 -4.732 -0.042 1.00 0.00 O ATOM 1457 CB PRO A 91 -9.906 -4.635 0.839 1.00 0.00 C ATOM 1458 CG PRO A 91 -10.246 -5.890 1.646 1.00 0.00 C ATOM 1459 CD PRO A 91 -11.092 -5.356 2.786 1.00 0.00 C ATOM 0 HA PRO A 91 -10.936 -2.697 1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.715 -4.870 -0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.014 -4.139 1.223 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -10.793 -6.618 1.046 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.348 -6.388 2.011 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.837 -6.089 3.095 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.477 -5.138 3.659 1.00 0.00 H new ATOM 1467 N ALA A 92 -11.688 -3.575 -1.367 1.00 0.00 N ATOM 1468 CA ALA A 92 -12.409 -3.863 -2.594 1.00 0.00 C ATOM 1469 C ALA A 92 -12.392 -5.341 -2.985 1.00 0.00 C ATOM 1470 O ALA A 92 -13.372 -5.823 -3.556 1.00 0.00 O ATOM 1471 CB ALA A 92 -11.861 -3.037 -3.758 1.00 0.00 C ATOM 0 H ALA A 92 -10.856 -3.000 -1.501 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.444 -3.590 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.418 -3.272 -4.665 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.966 -1.976 -3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.808 -3.274 -3.908 1.00 0.00 H new ATOM 1477 N SER A 93 -11.310 -6.060 -2.691 1.00 0.00 N ATOM 1478 CA SER A 93 -11.190 -7.504 -2.859 1.00 0.00 C ATOM 1479 C SER A 93 -10.311 -8.024 -1.733 1.00 0.00 C ATOM 1480 O SER A 93 -9.739 -7.254 -0.968 1.00 0.00 O ATOM 1481 CB SER A 93 -10.587 -7.865 -4.227 1.00 0.00 C ATOM 1482 OG SER A 93 -11.433 -8.713 -4.979 1.00 0.00 O ATOM 0 H SER A 93 -10.462 -5.635 -2.315 1.00 0.00 H new ATOM 0 HA SER A 93 -12.178 -7.964 -2.822 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.398 -6.951 -4.791 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.624 -8.354 -4.080 1.00 0.00 H new ATOM 0 HG SER A 93 -11.012 -8.915 -5.840 1.00 0.00 H new ATOM 1488 N ALA A 94 -10.168 -9.339 -1.658 1.00 0.00 N ATOM 1489 CA ALA A 94 -9.261 -10.006 -0.737 1.00 0.00 C ATOM 1490 C ALA A 94 -7.840 -9.592 -1.100 1.00 0.00 C ATOM 1491 O ALA A 94 -7.290 -10.097 -2.081 1.00 0.00 O ATOM 1492 CB ALA A 94 -9.425 -11.528 -0.812 1.00 0.00 C ATOM 0 H ALA A 94 -10.691 -9.986 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.486 -9.713 0.289 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.736 -12.003 -0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.449 -11.797 -0.551 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.207 -11.868 -1.825 1.00 0.00 H new ATOM 1498 N VAL A 95 -7.267 -8.646 -0.364 1.00 0.00 N ATOM 1499 CA VAL A 95 -5.872 -8.255 -0.508 1.00 0.00 C ATOM 1500 C VAL A 95 -5.004 -9.217 0.318 1.00 0.00 C ATOM 1501 O VAL A 95 -5.489 -10.274 0.738 1.00 0.00 O ATOM 1502 CB VAL A 95 -5.708 -6.741 -0.252 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -6.507 -5.959 -1.299 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -6.112 -6.221 1.133 1.00 0.00 C ATOM 0 H VAL A 95 -7.765 -8.124 0.357 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.507 -8.364 -1.529 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.631 -6.583 -0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.393 -4.890 -1.120 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.137 -6.202 -2.295 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.561 -6.228 -1.228 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.947 -5.145 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.166 -6.435 1.309 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.510 -6.714 1.896 1.00 0.00 H new ATOM 1514 N ASN A 96 -3.702 -8.962 0.435 1.00 0.00 N ATOM 1515 CA ASN A 96 -2.734 -9.846 1.083 1.00 0.00 C ATOM 1516 C ASN A 96 -1.944 -8.983 2.037 1.00 0.00 C ATOM 1517 O ASN A 96 -1.463 -7.930 1.598 1.00 0.00 O ATOM 1518 CB ASN A 96 -1.805 -10.494 0.046 1.00 0.00 C ATOM 1519 CG ASN A 96 -1.081 -11.700 0.616 1.00 0.00 C ATOM 1520 OD1 ASN A 96 -1.701 -12.562 1.207 1.00 0.00 O ATOM 1521 ND2 ASN A 96 0.205 -11.851 0.392 1.00 0.00 N ATOM 0 H ASN A 96 -3.278 -8.109 0.070 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.237 -10.659 1.607 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -2.387 -10.797 -0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.075 -9.761 -0.298 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.683 -12.692 0.714 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.725 -11.127 -0.104 1.00 0.00 H new ATOM 1528 N VAL A 97 -1.875 -9.332 3.325 1.00 0.00 N ATOM 1529 CA VAL A 97 -1.439 -8.350 4.311 1.00 0.00 C ATOM 1530 C VAL A 97 0.094 -8.446 4.466 1.00 0.00 C ATOM 1531 O VAL A 97 0.608 -8.759 5.539 1.00 0.00 O ATOM 1532 CB VAL A 97 -2.297 -8.383 5.605 1.00 0.00 C ATOM 1533 CG1 VAL A 97 -2.157 -7.047 6.355 1.00 0.00 C ATOM 1534 CG2 VAL A 97 -3.802 -8.539 5.321 1.00 0.00 C ATOM 0 H VAL A 97 -2.107 -10.253 3.696 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.629 -7.334 3.965 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.935 -9.236 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.760 -7.074 7.262 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.112 -6.886 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.499 -6.233 5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.350 -8.556 6.263 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.147 -7.701 4.715 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.976 -9.471 4.783 1.00 0.00 H new ATOM 1544 N ILE A 98 0.840 -8.186 3.388 1.00 0.00 N ATOM 1545 CA ILE A 98 2.311 -8.247 3.298 1.00 0.00 C ATOM 1546 C ILE A 98 2.989 -7.025 3.942 1.00 0.00 C ATOM 1547 O ILE A 98 4.211 -6.957 4.063 1.00 0.00 O ATOM 1548 CB ILE A 98 2.718 -8.371 1.807 1.00 0.00 C ATOM 1549 CG1 ILE A 98 2.321 -7.118 0.986 1.00 0.00 C ATOM 1550 CG2 ILE A 98 2.067 -9.620 1.200 1.00 0.00 C ATOM 1551 CD1 ILE A 98 2.654 -7.206 -0.506 1.00 0.00 C ATOM 0 H ILE A 98 0.414 -7.911 2.503 1.00 0.00 H new ATOM 0 HA ILE A 98 2.651 -9.120 3.855 1.00 0.00 H new ATOM 0 HB ILE A 98 3.804 -8.456 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.250 -6.951 1.097 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.825 -6.248 1.407 1.00 0.00 H new ATOM 0 HG21 ILE A 98 2.353 -9.707 0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.402 -10.505 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.983 -9.538 1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 98 2.342 -6.287 -1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.728 -7.340 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE A 98 2.129 -8.053 -0.947 1.00 0.00 H new ATOM 1563 N GLY A 99 2.171 -6.031 4.269 1.00 0.00 N ATOM 1564 CA GLY A 99 2.459 -4.664 4.643 1.00 0.00 C ATOM 1565 C GLY A 99 2.007 -4.346 6.067 1.00 0.00 C ATOM 1566 O GLY A 99 1.100 -5.004 6.588 1.00 0.00 O ATOM 0 H GLY A 99 1.164 -6.193 4.277 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.530 -4.484 4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.964 -3.987 3.947 1.00 0.00 H new ATOM 1570 N LYS A 100 2.459 -3.207 6.596 1.00 0.00 N ATOM 1571 CA LYS A 100 1.786 -2.376 7.600 1.00 0.00 C ATOM 1572 C LYS A 100 2.191 -0.925 7.316 1.00 0.00 C ATOM 1573 O LYS A 100 3.384 -0.674 7.169 1.00 0.00 O ATOM 1574 CB LYS A 100 2.247 -2.920 8.966 1.00 0.00 C ATOM 1575 CG LYS A 100 2.110 -2.149 10.304 1.00 0.00 C ATOM 1576 CD LYS A 100 1.727 -3.112 11.439 1.00 0.00 C ATOM 1577 CE LYS A 100 2.091 -2.657 12.861 1.00 0.00 C ATOM 1578 NZ LYS A 100 1.088 -1.763 13.467 1.00 0.00 N ATOM 0 H LYS A 100 3.359 -2.815 6.319 1.00 0.00 H new ATOM 0 HA LYS A 100 0.697 -2.405 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.725 -3.867 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.306 -3.153 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.050 -1.651 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 100 1.353 -1.371 10.207 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.651 -3.281 11.397 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.208 -4.072 11.252 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.213 -3.535 13.495 1.00 0.00 H new ATOM 0 HE3 LYS A 100 3.053 -2.146 12.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.395 -1.495 14.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.987 -0.908 12.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.173 -2.255 13.522 1.00 0.00 H new ATOM 1592 N ILE A 101 1.235 0.009 7.209 1.00 0.00 N ATOM 1593 CA ILE A 101 1.461 1.430 7.465 1.00 0.00 C ATOM 1594 C ILE A 101 1.989 1.402 8.897 1.00 0.00 C ATOM 1595 O ILE A 101 1.192 1.210 9.818 1.00 0.00 O ATOM 1596 CB ILE A 101 0.161 2.282 7.413 1.00 0.00 C ATOM 1597 CG1 ILE A 101 -0.428 2.363 5.992 1.00 0.00 C ATOM 1598 CG2 ILE A 101 0.401 3.732 7.890 1.00 0.00 C ATOM 1599 CD1 ILE A 101 -1.955 2.503 6.045 1.00 0.00 C ATOM 0 H ILE A 101 0.275 -0.208 6.939 1.00 0.00 H new ATOM 0 HA ILE A 101 2.118 1.881 6.722 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.537 1.774 8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.002 3.213 5.463 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.159 1.469 5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.533 4.292 7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.760 3.722 8.919 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.145 4.207 7.251 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.351 2.559 5.031 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.382 1.639 6.554 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -2.219 3.411 6.587 1.00 0.00 H new ATOM 1611 N VAL A 102 3.294 1.499 9.100 1.00 0.00 N ATOM 1612 CA VAL A 102 3.847 1.668 10.449 1.00 0.00 C ATOM 1613 C VAL A 102 3.664 3.111 10.938 1.00 0.00 C ATOM 1614 O VAL A 102 3.432 3.337 12.122 1.00 0.00 O ATOM 1615 CB VAL A 102 5.325 1.229 10.522 1.00 0.00 C ATOM 1616 CG1 VAL A 102 5.393 -0.292 10.660 1.00 0.00 C ATOM 1617 CG2 VAL A 102 6.163 1.652 9.304 1.00 0.00 C ATOM 0 H VAL A 102 3.992 1.465 8.357 1.00 0.00 H new ATOM 0 HA VAL A 102 3.289 1.014 11.118 1.00 0.00 H new ATOM 0 HB VAL A 102 5.751 1.733 11.389 1.00 0.00 H new ATOM 0 HG11 VAL A 102 6.435 -0.606 10.712 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.876 -0.598 11.569 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.916 -0.757 9.797 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.189 1.307 9.431 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.741 1.211 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.154 2.738 9.216 1.00 0.00 H new ATOM 1627 N GLU A 103 3.784 4.088 10.043 1.00 0.00 N ATOM 1628 CA GLU A 103 3.866 5.491 10.376 1.00 0.00 C ATOM 1629 C GLU A 103 3.275 6.355 9.267 1.00 0.00 C ATOM 1630 O GLU A 103 3.163 5.904 8.127 1.00 0.00 O ATOM 1631 CB GLU A 103 5.364 5.776 10.522 1.00 0.00 C ATOM 1632 CG GLU A 103 5.706 6.087 11.964 1.00 0.00 C ATOM 1633 CD GLU A 103 5.073 7.393 12.456 1.00 0.00 C ATOM 1634 OE1 GLU A 103 4.930 8.354 11.662 1.00 0.00 O ATOM 1635 OE2 GLU A 103 4.648 7.437 13.628 1.00 0.00 O ATOM 0 H GLU A 103 3.827 3.911 9.039 1.00 0.00 H new ATOM 0 HA GLU A 103 3.305 5.721 11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.939 4.914 10.183 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.644 6.616 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.372 5.265 12.597 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.789 6.151 12.070 1.00 0.00 H new ATOM 1642 N GLY A 104 2.993 7.619 9.582 1.00 0.00 N ATOM 1643 CA GLY A 104 2.439 8.604 8.665 1.00 0.00 C ATOM 1644 C GLY A 104 0.993 8.304 8.287 1.00 0.00 C ATOM 1645 O GLY A 104 0.594 8.567 7.155 1.00 0.00 O ATOM 0 H GLY A 104 3.151 7.994 10.517 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.494 9.592 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 104 3.048 8.637 7.761 1.00 0.00 H new ATOM 1649 N LEU A 105 0.214 7.726 9.204 1.00 0.00 N ATOM 1650 CA LEU A 105 -1.163 7.311 8.969 1.00 0.00 C ATOM 1651 C LEU A 105 -2.052 8.473 8.541 1.00 0.00 C ATOM 1652 O LEU A 105 -2.794 8.378 7.563 1.00 0.00 O ATOM 1653 CB LEU A 105 -1.729 6.714 10.268 1.00 0.00 C ATOM 1654 CG LEU A 105 -3.175 6.200 10.108 1.00 0.00 C ATOM 1655 CD1 LEU A 105 -3.332 5.100 9.052 1.00 0.00 C ATOM 1656 CD2 LEU A 105 -3.714 5.669 11.437 1.00 0.00 C ATOM 0 H LEU A 105 0.535 7.531 10.152 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.156 6.578 8.162 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.090 5.893 10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.702 7.470 11.052 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.746 7.066 9.772 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.376 4.792 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.017 5.481 8.080 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.715 4.244 9.324 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.735 5.312 11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.086 4.848 11.782 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.706 6.468 12.178 1.00 0.00 H new ATOM 1668 N GLU A 106 -2.041 9.556 9.316 1.00 0.00 N ATOM 1669 CA GLU A 106 -2.890 10.705 9.033 1.00 0.00 C ATOM 1670 C GLU A 106 -2.334 11.535 7.878 1.00 0.00 C ATOM 1671 O GLU A 106 -3.104 12.204 7.190 1.00 0.00 O ATOM 1672 CB GLU A 106 -3.117 11.542 10.288 1.00 0.00 C ATOM 1673 CG GLU A 106 -1.828 11.969 11.001 1.00 0.00 C ATOM 1674 CD GLU A 106 -1.955 13.411 11.516 1.00 0.00 C ATOM 1675 OE1 GLU A 106 -2.786 13.670 12.424 1.00 0.00 O ATOM 1676 OE2 GLU A 106 -1.306 14.306 10.922 1.00 0.00 O ATOM 0 H GLU A 106 -1.453 9.659 10.143 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.865 10.335 8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -3.682 12.434 10.019 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.733 10.973 10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.625 11.295 11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.984 11.893 10.316 1.00 0.00 H new ATOM 1683 N ASP A 107 -1.034 11.407 7.592 1.00 0.00 N ATOM 1684 CA ASP A 107 -0.355 12.045 6.461 1.00 0.00 C ATOM 1685 C ASP A 107 -0.931 11.586 5.123 1.00 0.00 C ATOM 1686 O ASP A 107 -0.629 12.178 4.094 1.00 0.00 O ATOM 1687 CB ASP A 107 1.161 11.783 6.502 1.00 0.00 C ATOM 1688 CG ASP A 107 1.915 13.039 6.908 1.00 0.00 C ATOM 1689 OD1 ASP A 107 1.904 13.334 8.125 1.00 0.00 O ATOM 1690 OD2 ASP A 107 2.461 13.737 6.022 1.00 0.00 O ATOM 0 H ASP A 107 -0.406 10.838 8.160 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.526 13.118 6.553 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.377 10.980 7.207 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.503 11.448 5.523 1.00 0.00 H new ATOM 1695 N LEU A 108 -1.786 10.564 5.128 1.00 0.00 N ATOM 1696 CA LEU A 108 -2.515 10.061 3.978 1.00 0.00 C ATOM 1697 C LEU A 108 -3.738 10.920 3.668 1.00 0.00 C ATOM 1698 O LEU A 108 -3.980 11.244 2.510 1.00 0.00 O ATOM 1699 CB LEU A 108 -2.905 8.601 4.251 1.00 0.00 C ATOM 1700 CG LEU A 108 -1.694 7.695 4.548 1.00 0.00 C ATOM 1701 CD1 LEU A 108 -2.146 6.255 4.791 1.00 0.00 C ATOM 1702 CD2 LEU A 108 -0.653 7.754 3.423 1.00 0.00 C ATOM 0 H LEU A 108 -1.995 10.043 5.979 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.878 10.109 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.592 8.567 5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.442 8.208 3.388 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.218 8.068 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.277 5.631 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.826 6.226 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.658 5.880 3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.186 7.102 3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.108 7.424 2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.296 8.778 3.311 1.00 0.00 H new ATOM 1714 N LYS A 109 -4.492 11.369 4.677 1.00 0.00 N ATOM 1715 CA LYS A 109 -5.717 12.150 4.465 1.00 0.00 C ATOM 1716 C LYS A 109 -5.457 13.513 3.826 1.00 0.00 C ATOM 1717 O LYS A 109 -6.405 14.195 3.431 1.00 0.00 O ATOM 1718 CB LYS A 109 -6.434 12.360 5.803 1.00 0.00 C ATOM 1719 CG LYS A 109 -7.078 11.072 6.324 1.00 0.00 C ATOM 1720 CD LYS A 109 -7.922 11.261 7.594 1.00 0.00 C ATOM 1721 CE LYS A 109 -7.093 11.341 8.880 1.00 0.00 C ATOM 1722 NZ LYS A 109 -6.370 12.621 9.052 1.00 0.00 N ATOM 0 H LYS A 109 -4.273 11.203 5.659 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.336 11.577 3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -5.722 12.732 6.540 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.201 13.126 5.686 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -7.709 10.652 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.294 10.343 6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -8.511 12.173 7.495 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -8.626 10.433 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.752 11.190 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.371 10.524 8.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.298 12.846 10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.416 12.538 8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.887 13.380 8.565 1.00 0.00 H new ATOM 1736 N LYS A 110 -4.202 13.953 3.761 1.00 0.00 N ATOM 1737 CA LYS A 110 -3.812 15.251 3.252 1.00 0.00 C ATOM 1738 C LYS A 110 -3.230 15.165 1.838 1.00 0.00 C ATOM 1739 O LYS A 110 -2.628 16.144 1.390 1.00 0.00 O ATOM 1740 CB LYS A 110 -2.921 15.938 4.289 1.00 0.00 C ATOM 1741 CG LYS A 110 -1.605 15.233 4.630 1.00 0.00 C ATOM 1742 CD LYS A 110 -1.004 15.807 5.921 1.00 0.00 C ATOM 1743 CE LYS A 110 -0.822 17.332 5.949 1.00 0.00 C ATOM 1744 NZ LYS A 110 0.259 17.830 5.072 1.00 0.00 N ATOM 0 H LYS A 110 -3.409 13.392 4.073 1.00 0.00 H new ATOM 0 HA LYS A 110 -4.687 15.887 3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.688 16.940 3.929 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.494 16.055 5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -1.779 14.163 4.747 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.898 15.353 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.643 15.520 6.756 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.033 15.340 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.759 17.804 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.616 17.643 6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 0.001 18.766 4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.141 17.905 5.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 0.396 17.169 4.281 1.00 0.00 H new ATOM 1758 N ILE A 111 -3.397 14.046 1.132 1.00 0.00 N ATOM 1759 CA ILE A 111 -2.859 13.804 -0.202 1.00 0.00 C ATOM 1760 C ILE A 111 -4.025 13.860 -1.192 1.00 0.00 C ATOM 1761 O ILE A 111 -5.052 13.212 -0.991 1.00 0.00 O ATOM 1762 CB ILE A 111 -2.129 12.437 -0.208 1.00 0.00 C ATOM 1763 CG1 ILE A 111 -1.134 12.234 0.956 1.00 0.00 C ATOM 1764 CG2 ILE A 111 -1.371 12.182 -1.512 1.00 0.00 C ATOM 1765 CD1 ILE A 111 -0.105 13.352 1.166 1.00 0.00 C ATOM 0 H ILE A 111 -3.932 13.255 1.490 1.00 0.00 H new ATOM 0 HA ILE A 111 -2.128 14.557 -0.495 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.945 11.724 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.704 12.114 1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.597 11.300 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -0.878 11.211 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.071 12.191 -2.348 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.623 12.962 -1.656 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.539 13.100 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.501 13.462 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.623 14.289 1.372 1.00 0.00 H new ATOM 1777 N LYS A 112 -3.877 14.680 -2.238 1.00 0.00 N ATOM 1778 CA LYS A 112 -4.830 14.786 -3.344 1.00 0.00 C ATOM 1779 C LYS A 112 -4.794 13.522 -4.204 1.00 0.00 C ATOM 1780 O LYS A 112 -3.902 12.683 -4.073 1.00 0.00 O ATOM 1781 CB LYS A 112 -4.514 16.007 -4.228 1.00 0.00 C ATOM 1782 CG LYS A 112 -4.540 17.328 -3.461 1.00 0.00 C ATOM 1783 CD LYS A 112 -5.978 17.803 -3.233 1.00 0.00 C ATOM 1784 CE LYS A 112 -5.977 18.844 -2.120 1.00 0.00 C ATOM 1785 NZ LYS A 112 -7.323 19.065 -1.559 1.00 0.00 N ATOM 0 H LYS A 112 -3.074 15.301 -2.340 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.824 14.906 -2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.531 15.876 -4.680 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.236 16.054 -5.044 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.037 17.205 -2.502 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.987 18.086 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.385 18.230 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.616 16.961 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.303 18.523 -1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -5.588 19.786 -2.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.272 19.781 -0.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -7.962 19.397 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.686 18.173 -1.165 1.00 0.00 H new ATOM 1799 N ASP A 113 -5.701 13.452 -5.173 1.00 0.00 N ATOM 1800 CA ASP A 113 -5.795 12.400 -6.188 1.00 0.00 C ATOM 1801 C ASP A 113 -4.728 12.570 -7.280 1.00 0.00 C ATOM 1802 O ASP A 113 -5.022 12.614 -8.473 1.00 0.00 O ATOM 1803 CB ASP A 113 -7.196 12.459 -6.792 1.00 0.00 C ATOM 1804 CG ASP A 113 -7.527 11.223 -7.629 1.00 0.00 C ATOM 1805 OD1 ASP A 113 -7.894 10.197 -7.006 1.00 0.00 O ATOM 1806 OD2 ASP A 113 -7.560 11.301 -8.879 1.00 0.00 O ATOM 0 H ASP A 113 -6.427 14.160 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.617 11.429 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.929 12.558 -5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.282 13.349 -7.415 1.00 0.00 H new ATOM 1811 N GLY A 114 -3.475 12.753 -6.889 1.00 0.00 N ATOM 1812 CA GLY A 114 -2.353 12.831 -7.812 1.00 0.00 C ATOM 1813 C GLY A 114 -1.284 13.725 -7.223 1.00 0.00 C ATOM 1814 O GLY A 114 -1.309 14.935 -7.447 1.00 0.00 O ATOM 0 H GLY A 114 -3.206 12.853 -5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.950 11.836 -7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.684 13.225 -8.773 1.00 0.00 H new ATOM 1818 N GLU A 115 -0.382 13.137 -6.440 1.00 0.00 N ATOM 1819 CA GLU A 115 0.649 13.834 -5.677 1.00 0.00 C ATOM 1820 C GLU A 115 1.993 13.094 -5.743 1.00 0.00 C ATOM 1821 O GLU A 115 2.762 13.135 -4.786 1.00 0.00 O ATOM 1822 CB GLU A 115 0.184 13.920 -4.223 1.00 0.00 C ATOM 1823 CG GLU A 115 -1.102 14.709 -3.987 1.00 0.00 C ATOM 1824 CD GLU A 115 -0.925 16.222 -3.933 1.00 0.00 C ATOM 1825 OE1 GLU A 115 -0.374 16.814 -4.884 1.00 0.00 O ATOM 1826 OE2 GLU A 115 -1.374 16.802 -2.910 1.00 0.00 O ATOM 0 H GLU A 115 -0.349 12.125 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 115 0.798 14.827 -6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 115 0.042 12.907 -3.845 1.00 0.00 H new ATOM 0 HB3 GLU A 115 0.980 14.372 -3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.810 14.469 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.549 14.376 -3.050 1.00 0.00 H new ATOM 1833 N LYS A 116 2.212 12.334 -6.824 1.00 0.00 N ATOM 1834 CA LYS A 116 3.456 11.635 -7.177 1.00 0.00 C ATOM 1835 C LYS A 116 4.080 10.942 -5.965 1.00 0.00 C ATOM 1836 O LYS A 116 5.054 11.444 -5.403 1.00 0.00 O ATOM 1837 CB LYS A 116 4.438 12.543 -7.943 1.00 0.00 C ATOM 1838 CG LYS A 116 4.371 12.196 -9.433 1.00 0.00 C ATOM 1839 CD LYS A 116 5.159 13.189 -10.278 1.00 0.00 C ATOM 1840 CE LYS A 116 5.210 12.662 -11.710 1.00 0.00 C ATOM 1841 NZ LYS A 116 6.458 11.931 -12.007 1.00 0.00 N ATOM 0 H LYS A 116 1.481 12.181 -7.518 1.00 0.00 H new ATOM 0 HA LYS A 116 3.197 10.839 -7.875 1.00 0.00 H new ATOM 0 HB2 LYS A 116 4.182 13.591 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.452 12.403 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 116 4.764 11.192 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.331 12.186 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.686 14.171 -10.251 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.167 13.310 -9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.359 12.003 -11.880 1.00 0.00 H new ATOM 0 HE3 LYS A 116 5.110 13.497 -12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.232 11.045 -12.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.069 12.518 -12.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.954 11.715 -11.119 1.00 0.00 H new ATOM 1855 N VAL A 117 3.518 9.816 -5.530 1.00 0.00 N ATOM 1856 CA VAL A 117 4.060 9.094 -4.387 1.00 0.00 C ATOM 1857 C VAL A 117 5.415 8.504 -4.802 1.00 0.00 C ATOM 1858 O VAL A 117 5.470 7.563 -5.594 1.00 0.00 O ATOM 1859 CB VAL A 117 3.040 8.076 -3.844 1.00 0.00 C ATOM 1860 CG1 VAL A 117 2.506 7.015 -4.822 1.00 0.00 C ATOM 1861 CG2 VAL A 117 3.582 7.417 -2.580 1.00 0.00 C ATOM 0 H VAL A 117 2.693 9.388 -5.950 1.00 0.00 H new ATOM 0 HA VAL A 117 4.243 9.756 -3.541 1.00 0.00 H new ATOM 0 HB VAL A 117 2.158 8.682 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.798 6.367 -4.305 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.005 7.508 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 117 3.336 6.418 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL A 117 2.854 6.699 -2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.515 6.902 -2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.765 8.179 -1.822 1.00 0.00 H new ATOM 1871 N ALA A 118 6.515 9.086 -4.331 1.00 0.00 N ATOM 1872 CA ALA A 118 7.868 8.619 -4.526 1.00 0.00 C ATOM 1873 C ALA A 118 8.112 7.522 -3.490 1.00 0.00 C ATOM 1874 O ALA A 118 8.280 7.790 -2.300 1.00 0.00 O ATOM 1875 CB ALA A 118 8.834 9.793 -4.357 1.00 0.00 C ATOM 0 H ALA A 118 6.475 9.940 -3.775 1.00 0.00 H new ATOM 0 HA ALA A 118 8.026 8.215 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 118 9.857 9.446 -4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.603 10.563 -5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 118 8.731 10.207 -3.354 1.00 0.00 H new ATOM 1881 N VAL A 119 8.057 6.278 -3.941 1.00 0.00 N ATOM 1882 CA VAL A 119 8.392 5.080 -3.201 1.00 0.00 C ATOM 1883 C VAL A 119 9.921 5.020 -3.079 1.00 0.00 C ATOM 1884 O VAL A 119 10.598 4.988 -4.108 1.00 0.00 O ATOM 1885 CB VAL A 119 7.843 3.878 -4.007 1.00 0.00 C ATOM 1886 CG1 VAL A 119 8.103 2.563 -3.275 1.00 0.00 C ATOM 1887 CG2 VAL A 119 6.338 3.971 -4.330 1.00 0.00 C ATOM 0 H VAL A 119 7.758 6.070 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 119 7.961 5.067 -2.200 1.00 0.00 H new ATOM 0 HB VAL A 119 8.383 3.907 -4.953 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.707 1.735 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.176 2.430 -3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.612 2.585 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 119 6.032 3.091 -4.896 1.00 0.00 H new ATOM 0 HG22 VAL A 119 5.769 4.021 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 119 6.147 4.867 -4.921 1.00 0.00 H new ATOM 1897 N ARG A 120 10.496 4.944 -1.874 1.00 0.00 N ATOM 1898 CA ARG A 120 11.899 4.553 -1.656 1.00 0.00 C ATOM 1899 C ARG A 120 11.962 3.514 -0.532 1.00 0.00 C ATOM 1900 O ARG A 120 10.959 3.261 0.121 1.00 0.00 O ATOM 1901 CB ARG A 120 12.802 5.763 -1.360 1.00 0.00 C ATOM 1902 CG ARG A 120 12.537 7.010 -2.217 1.00 0.00 C ATOM 1903 CD ARG A 120 13.691 7.996 -2.018 1.00 0.00 C ATOM 1904 NE ARG A 120 13.397 9.312 -2.591 1.00 0.00 N ATOM 1905 CZ ARG A 120 14.212 10.368 -2.710 1.00 0.00 C ATOM 1906 NH1 ARG A 120 15.520 10.282 -2.497 1.00 0.00 N ATOM 1907 NH2 ARG A 120 13.661 11.533 -3.022 1.00 0.00 N ATOM 0 H ARG A 120 9.997 5.154 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 120 12.283 4.111 -2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 120 12.686 6.033 -0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 120 13.840 5.462 -1.498 1.00 0.00 H new ATOM 0 HG2 ARG A 120 12.452 6.735 -3.268 1.00 0.00 H new ATOM 0 HG3 ARG A 120 11.592 7.471 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 120 13.896 8.103 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 120 14.594 7.594 -2.478 1.00 0.00 H new ATOM 0 HE ARG A 120 12.449 9.440 -2.945 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.936 9.389 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 120 16.109 11.109 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.653 11.599 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.245 12.363 -3.122 1.00 0.00 H new ATOM 1921 N PHE A 121 13.116 2.902 -0.263 1.00 0.00 N ATOM 1922 CA PHE A 121 13.241 1.821 0.733 1.00 0.00 C ATOM 1923 C PHE A 121 13.107 2.235 2.191 1.00 0.00 C ATOM 1924 O PHE A 121 12.945 1.389 3.059 1.00 0.00 O ATOM 1925 CB PHE A 121 14.610 1.178 0.603 1.00 0.00 C ATOM 1926 CG PHE A 121 14.662 0.238 -0.557 1.00 0.00 C ATOM 1927 CD1 PHE A 121 13.923 -0.954 -0.505 1.00 0.00 C ATOM 1928 CD2 PHE A 121 15.360 0.594 -1.717 1.00 0.00 C ATOM 1929 CE1 PHE A 121 13.895 -1.815 -1.615 1.00 0.00 C ATOM 1930 CE2 PHE A 121 15.369 -0.277 -2.823 1.00 0.00 C ATOM 1931 CZ PHE A 121 14.648 -1.486 -2.763 1.00 0.00 C ATOM 0 H PHE A 121 13.994 3.137 -0.726 1.00 0.00 H new ATOM 0 HA PHE A 121 12.407 1.156 0.507 1.00 0.00 H new ATOM 0 HB2 PHE A 121 15.367 1.952 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 121 14.850 0.640 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 121 13.375 -1.210 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 121 15.890 1.534 -1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 121 13.304 -2.719 -1.590 1.00 0.00 H new ATOM 0 HE2 PHE A 121 15.925 -0.020 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 121 14.672 -2.166 -3.602 1.00 0.00 H new ATOM 1941 N ALA A 122 13.150 3.531 2.428 1.00 0.00 N ATOM 1942 CA ALA A 122 13.414 4.140 3.732 1.00 0.00 C ATOM 1943 C ALA A 122 14.747 3.623 4.292 1.00 0.00 C ATOM 1944 O ALA A 122 14.812 2.502 4.787 1.00 0.00 O ATOM 1945 CB ALA A 122 12.264 3.878 4.713 1.00 0.00 C ATOM 0 H ALA A 122 12.997 4.222 1.694 1.00 0.00 H new ATOM 0 HA ALA A 122 13.486 5.220 3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.491 4.343 5.672 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.342 4.300 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.141 2.804 4.851 1.00 0.00 H new ATOM 1951 N SER A 123 15.820 4.404 4.151 1.00 0.00 N ATOM 1952 CA SER A 123 17.178 4.175 4.634 1.00 0.00 C ATOM 1953 C SER A 123 17.929 2.931 4.173 1.00 0.00 C ATOM 1954 O SER A 123 19.143 2.896 4.364 1.00 0.00 O ATOM 1955 CB SER A 123 17.210 4.353 6.151 1.00 0.00 C ATOM 1956 OG SER A 123 16.464 3.402 6.880 1.00 0.00 O ATOM 0 H SER A 123 15.752 5.291 3.651 1.00 0.00 H new ATOM 0 HA SER A 123 17.766 4.940 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 123 18.247 4.312 6.485 1.00 0.00 H new ATOM 0 HB3 SER A 123 16.836 5.348 6.393 1.00 0.00 H new ATOM 0 HG SER A 123 15.927 2.864 6.262 1.00 0.00 H new ATOM 1962 N SER A 124 17.257 1.958 3.565 1.00 0.00 N ATOM 1963 CA SER A 124 17.661 0.565 3.713 1.00 0.00 C ATOM 1964 C SER A 124 17.787 0.235 5.201 1.00 0.00 C ATOM 1965 O SER A 124 18.437 -0.771 5.547 1.00 0.00 O ATOM 1966 CB SER A 124 18.953 0.226 2.944 1.00 0.00 C ATOM 1967 OG SER A 124 18.999 0.736 1.626 1.00 0.00 O ATOM 0 H SER A 124 16.440 2.106 2.972 1.00 0.00 H new ATOM 0 HA SER A 124 16.888 -0.059 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 124 19.805 0.615 3.501 1.00 0.00 H new ATOM 0 HB3 SER A 124 19.065 -0.858 2.905 1.00 0.00 H new ATOM 0 HG SER A 124 19.847 0.481 1.206 1.00 0.00 H new TER 1973 SER A 124