USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1084 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 TYR OH : rot 97:sc= -1.27 USER MOD Set 1.2: A 105 HIS :FLIP no HD1:sc= -4.91 F(o=-10!,f=-7.4) USER MOD Set 1.3: A 116 THR OG1 : rot -130:sc= -0.983 USER MOD Set 1.4: A 121 LYS NZ :NH3+ -129:sc= -0.206 (180deg=0) USER MOD Set 2.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 67 HIS : no HD1:sc= -0.223 K(o=-0.22,f=-5.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 24:sc= -3.48! USER MOD Single : A 11 SER OG : rot 180:sc= 0.109 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -120:sc= -3.56! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0712 K(o=-0.071,f=-1.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -118:sc= -11.1! (180deg=-21!) USER MOD Single : A 41 THR OG1 : rot -17:sc= 0.247! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 74:sc= -1.91! USER MOD Single : A 57 GLN : amide:sc= -0.71 K(o=-0.71,f=-3.8!) USER MOD Single : A 63 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -66:sc= -6.01! USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 6:sc= 0.239 USER MOD Single : A 81 THR OG1 : rot 162:sc= -2.45! USER MOD Single : A 83 LYS NZ :NH3+ -163:sc= 0.168 (180deg=0.0958) USER MOD Single : A 84 GLN : amide:sc= -2.54 K(o=-2.5,f=-6!) USER MOD Single : A 85 TYR OH : rot 119:sc= -0.129 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ -165:sc= -0.571 (180deg=-1.08) USER MOD Single : A 114 THR OG1 : rot 81:sc= 0.101 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 MET CE :methyl 147:sc= -9.93! (180deg=-13.7!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN :FLIP amide:sc= -0.113 F(o=-1.5,f=-0.11) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 128 TYR OH : rot -160:sc= 0.148 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 131 LYS NZ :NH3+ -109:sc= 0.163 (180deg=-0.894) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -1.93 K(o=-1.9,f=-4.5!) USER MOD Single : A 136 SER OG : rot 40:sc= 0.365 USER MOD Single : A 137 GLN : amide:sc= -0.966 K(o=-0.97,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.384 11.991 1.963 1.00 0.00 N ATOM 2 CA MET A 1 -11.064 12.673 1.996 1.00 0.00 C ATOM 3 C MET A 1 -10.118 11.992 2.982 1.00 0.00 C ATOM 4 O MET A 1 -9.535 12.640 3.851 1.00 0.00 O ATOM 5 CB MET A 1 -11.283 14.135 2.395 1.00 0.00 C ATOM 6 CG MET A 1 -9.996 14.942 2.483 1.00 0.00 C ATOM 7 SD MET A 1 -9.688 15.588 4.139 1.00 0.00 S ATOM 8 CE MET A 1 -8.546 16.919 3.775 1.00 0.00 C ATOM 0 H1 MET A 1 -13.007 12.474 1.285 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.256 11.001 1.671 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.814 12.020 2.910 1.00 0.00 H new ATOM 0 HA MET A 1 -10.605 12.617 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.948 14.605 1.670 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.789 14.168 3.360 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.158 14.314 2.181 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.044 15.771 1.777 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.261 17.418 4.701 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.657 16.514 3.293 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.024 17.637 3.109 1.00 0.00 H new ATOM 20 N ARG A 2 -9.971 10.678 2.840 1.00 0.00 N ATOM 21 CA ARG A 2 -9.097 9.906 3.716 1.00 0.00 C ATOM 22 C ARG A 2 -8.668 8.606 3.044 1.00 0.00 C ATOM 23 O ARG A 2 -9.375 8.078 2.185 1.00 0.00 O ATOM 24 CB ARG A 2 -9.803 9.598 5.038 1.00 0.00 C ATOM 25 CG ARG A 2 -10.427 10.817 5.698 1.00 0.00 C ATOM 26 CD ARG A 2 -11.007 10.479 7.062 1.00 0.00 C ATOM 27 NE ARG A 2 -11.985 11.472 7.502 1.00 0.00 N ATOM 28 CZ ARG A 2 -12.524 11.494 8.718 1.00 0.00 C ATOM 29 NH1 ARG A 2 -12.186 10.578 9.619 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.404 12.433 9.037 1.00 0.00 N ATOM 0 H ARG A 2 -10.446 10.126 2.126 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.208 10.504 3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.580 8.855 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.086 9.150 5.726 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.675 11.598 5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.213 11.217 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.480 9.498 7.022 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.201 10.415 7.793 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.271 12.191 6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.510 9.853 9.380 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.603 10.600 10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.668 13.139 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.817 12.449 9.970 1.00 0.00 H new ATOM 44 N ILE A 3 -7.510 8.093 3.443 1.00 0.00 N ATOM 45 CA ILE A 3 -6.992 6.852 2.880 1.00 0.00 C ATOM 46 C ILE A 3 -7.894 5.677 3.239 1.00 0.00 C ATOM 47 O ILE A 3 -8.666 5.748 4.194 1.00 0.00 O ATOM 48 CB ILE A 3 -5.557 6.572 3.371 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.020 5.281 2.764 1.00 0.00 C ATOM 50 CG2 ILE A 3 -5.522 6.497 4.889 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.523 5.147 2.901 1.00 0.00 C ATOM 0 H ILE A 3 -6.913 8.516 4.153 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.973 6.969 1.796 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.919 7.394 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.502 4.431 3.246 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.288 5.243 1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.503 6.299 5.220 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.862 7.444 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.176 5.694 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.199 4.209 2.451 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.035 5.980 2.395 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.252 5.155 3.957 1.00 0.00 H new ATOM 63 N TYR A 4 -7.803 4.602 2.462 1.00 0.00 N ATOM 64 CA TYR A 4 -8.628 3.423 2.702 1.00 0.00 C ATOM 65 C TYR A 4 -7.792 2.149 2.778 1.00 0.00 C ATOM 66 O TYR A 4 -8.065 1.274 3.597 1.00 0.00 O ATOM 67 CB TYR A 4 -9.681 3.284 1.604 1.00 0.00 C ATOM 68 CG TYR A 4 -10.898 4.153 1.819 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.504 4.238 3.067 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.438 4.890 0.774 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.616 5.034 3.264 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.549 5.688 0.964 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.134 5.757 2.210 1.00 0.00 C ATOM 74 OH TYR A 4 -14.241 6.551 2.404 1.00 0.00 O ATOM 0 H TYR A 4 -7.171 4.523 1.666 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.119 3.559 3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -9.229 3.537 0.645 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.995 2.242 1.543 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -11.100 3.674 3.895 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -10.982 4.839 -0.204 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -13.077 5.090 4.239 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.957 6.255 0.140 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.478 6.993 1.562 1.00 0.00 H new ATOM 84 N TYR A 5 -6.784 2.036 1.919 1.00 0.00 N ATOM 85 CA TYR A 5 -5.943 0.843 1.912 1.00 0.00 C ATOM 86 C TYR A 5 -4.489 1.172 1.613 1.00 0.00 C ATOM 87 O TYR A 5 -4.176 2.177 0.979 1.00 0.00 O ATOM 88 CB TYR A 5 -6.471 -0.172 0.887 1.00 0.00 C ATOM 89 CG TYR A 5 -5.602 -1.409 0.698 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.346 -1.333 0.097 1.00 0.00 C ATOM 91 CD2 TYR A 5 -6.052 -2.661 1.100 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.570 -2.457 -0.090 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.281 -3.793 0.911 1.00 0.00 C ATOM 94 CZ TYR A 5 -4.041 -3.684 0.315 1.00 0.00 C ATOM 95 OH TYR A 5 -3.273 -4.804 0.117 1.00 0.00 O ATOM 0 H TYR A 5 -6.532 2.743 1.229 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.985 0.409 2.911 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.467 -0.490 1.194 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.578 0.329 -0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.973 -0.373 -0.229 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -7.021 -2.751 1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.597 -2.374 -0.552 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.647 -4.758 1.228 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.330 -4.546 0.051 1.00 0.00 H new ATOM 105 N ILE A 6 -3.616 0.281 2.057 1.00 0.00 N ATOM 106 CA ILE A 6 -2.187 0.401 1.836 1.00 0.00 C ATOM 107 C ILE A 6 -1.575 -0.991 1.879 1.00 0.00 C ATOM 108 O ILE A 6 -2.242 -1.953 2.264 1.00 0.00 O ATOM 109 CB ILE A 6 -1.527 1.354 2.871 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.346 2.739 2.247 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.186 0.839 3.386 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.829 3.784 3.213 1.00 0.00 C ATOM 0 H ILE A 6 -3.883 -0.550 2.584 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.005 0.845 0.858 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.195 1.407 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.655 2.661 1.407 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.302 3.073 1.843 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.224 1.548 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.329 -0.127 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.506 0.728 2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.727 4.738 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.530 3.892 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.143 3.474 3.598 1.00 0.00 H new ATOM 124 N GLY A 7 -0.324 -1.108 1.477 1.00 0.00 N ATOM 125 CA GLY A 7 0.313 -2.405 1.481 1.00 0.00 C ATOM 126 C GLY A 7 1.563 -2.454 0.634 1.00 0.00 C ATOM 127 O GLY A 7 2.102 -1.420 0.236 1.00 0.00 O ATOM 0 H GLY A 7 0.259 -0.337 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.565 -2.676 2.506 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.394 -3.151 1.119 1.00 0.00 H new ATOM 131 N VAL A 8 2.022 -3.664 0.364 1.00 0.00 N ATOM 132 CA VAL A 8 3.218 -3.870 -0.434 1.00 0.00 C ATOM 133 C VAL A 8 3.084 -5.135 -1.275 1.00 0.00 C ATOM 134 O VAL A 8 2.479 -6.115 -0.837 1.00 0.00 O ATOM 135 CB VAL A 8 4.471 -3.993 0.449 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.657 -3.310 -0.209 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.230 -3.418 1.838 1.00 0.00 C ATOM 0 H VAL A 8 1.581 -4.524 0.689 1.00 0.00 H new ATOM 0 HA VAL A 8 3.327 -3.000 -1.082 1.00 0.00 H new ATOM 0 HB VAL A 8 4.696 -5.054 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.534 -3.408 0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.857 -3.777 -1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.432 -2.254 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.135 -3.521 2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.968 -2.363 1.755 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.414 -3.958 2.319 1.00 0.00 H new ATOM 147 N PHE A 9 3.636 -5.114 -2.484 1.00 0.00 N ATOM 148 CA PHE A 9 3.554 -6.270 -3.372 1.00 0.00 C ATOM 149 C PHE A 9 4.725 -6.317 -4.343 1.00 0.00 C ATOM 150 O PHE A 9 5.062 -5.316 -4.975 1.00 0.00 O ATOM 151 CB PHE A 9 2.255 -6.256 -4.181 1.00 0.00 C ATOM 152 CG PHE A 9 1.062 -5.678 -3.473 1.00 0.00 C ATOM 153 CD1 PHE A 9 1.053 -4.364 -3.025 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.067 -6.452 -3.279 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.060 -3.844 -2.396 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.180 -5.936 -2.651 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.176 -4.630 -2.211 1.00 0.00 C ATOM 0 H PHE A 9 4.141 -4.316 -2.870 1.00 0.00 H new ATOM 0 HA PHE A 9 3.581 -7.152 -2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.423 -5.689 -5.097 1.00 0.00 H new ATOM 0 HB3 PHE A 9 2.020 -7.278 -4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.925 -3.743 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.077 -7.475 -3.624 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.056 -2.821 -2.049 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.054 -6.554 -2.504 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.048 -4.223 -1.721 1.00 0.00 H new ATOM 167 N ARG A 10 5.320 -7.493 -4.483 1.00 0.00 N ATOM 168 CA ARG A 10 6.431 -7.676 -5.404 1.00 0.00 C ATOM 169 C ARG A 10 5.912 -8.110 -6.768 1.00 0.00 C ATOM 170 O ARG A 10 5.012 -8.943 -6.862 1.00 0.00 O ATOM 171 CB ARG A 10 7.412 -8.718 -4.867 1.00 0.00 C ATOM 172 CG ARG A 10 8.593 -8.962 -5.790 1.00 0.00 C ATOM 173 CD ARG A 10 8.422 -10.239 -6.595 1.00 0.00 C ATOM 174 NE ARG A 10 9.120 -10.174 -7.877 1.00 0.00 N ATOM 175 CZ ARG A 10 9.473 -11.244 -8.586 1.00 0.00 C ATOM 176 NH1 ARG A 10 9.193 -12.464 -8.145 1.00 0.00 N ATOM 177 NH2 ARG A 10 10.106 -11.093 -9.741 1.00 0.00 N ATOM 0 H ARG A 10 5.052 -8.333 -3.971 1.00 0.00 H new ATOM 0 HA ARG A 10 6.954 -6.725 -5.504 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.781 -8.392 -3.894 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.883 -9.658 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.705 -8.116 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.508 -9.023 -5.202 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.799 -11.084 -6.019 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.361 -10.419 -6.768 1.00 0.00 H new ATOM 0 HE ARG A 10 9.351 -9.254 -8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.705 -12.586 -7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.466 -13.280 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.322 -10.158 -10.086 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.377 -11.912 -10.285 1.00 0.00 H new ATOM 191 N SER A 11 6.478 -7.541 -7.824 1.00 0.00 N ATOM 192 CA SER A 11 6.057 -7.879 -9.178 1.00 0.00 C ATOM 193 C SER A 11 6.280 -9.359 -9.464 1.00 0.00 C ATOM 194 O SER A 11 7.394 -9.783 -9.770 1.00 0.00 O ATOM 195 CB SER A 11 6.807 -7.030 -10.203 1.00 0.00 C ATOM 196 OG SER A 11 7.933 -6.397 -9.621 1.00 0.00 O ATOM 0 H SER A 11 7.225 -6.848 -7.771 1.00 0.00 H new ATOM 0 HA SER A 11 4.991 -7.668 -9.259 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.129 -7.658 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.136 -6.276 -10.615 1.00 0.00 H new ATOM 0 HG SER A 11 8.395 -5.862 -10.300 1.00 0.00 H new ATOM 202 N GLY A 12 5.212 -10.139 -9.359 1.00 0.00 N ATOM 203 CA GLY A 12 5.305 -11.566 -9.609 1.00 0.00 C ATOM 204 C GLY A 12 5.036 -11.919 -11.058 1.00 0.00 C ATOM 205 O GLY A 12 5.692 -11.403 -11.962 1.00 0.00 O ATOM 0 H GLY A 12 4.281 -9.809 -9.105 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.299 -11.916 -9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.593 -12.091 -8.972 1.00 0.00 H new ATOM 209 N GLY A 13 4.067 -12.801 -11.280 1.00 0.00 N ATOM 210 CA GLY A 13 3.729 -13.208 -12.631 1.00 0.00 C ATOM 211 C GLY A 13 2.382 -12.675 -13.078 1.00 0.00 C ATOM 212 O GLY A 13 2.290 -11.567 -13.607 1.00 0.00 O ATOM 0 H GLY A 13 3.510 -13.241 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.501 -12.857 -13.316 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.723 -14.296 -12.688 1.00 0.00 H new ATOM 216 N GLU A 14 1.335 -13.465 -12.864 1.00 0.00 N ATOM 217 CA GLU A 14 -0.014 -13.066 -13.248 1.00 0.00 C ATOM 218 C GLU A 14 -0.471 -11.845 -12.454 1.00 0.00 C ATOM 219 O GLU A 14 -1.325 -11.083 -12.908 1.00 0.00 O ATOM 220 CB GLU A 14 -0.989 -14.224 -13.031 1.00 0.00 C ATOM 221 CG GLU A 14 -1.128 -15.136 -14.239 1.00 0.00 C ATOM 222 CD GLU A 14 -0.121 -16.270 -14.232 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.095 -15.985 -14.232 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.549 -17.444 -14.226 1.00 0.00 O ATOM 0 H GLU A 14 1.395 -14.385 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.000 -12.802 -14.305 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.655 -14.814 -12.177 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.969 -13.820 -12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.136 -15.550 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.003 -14.549 -15.149 1.00 0.00 H new ATOM 231 N LYS A 15 0.102 -11.664 -11.268 1.00 0.00 N ATOM 232 CA LYS A 15 -0.248 -10.536 -10.415 1.00 0.00 C ATOM 233 C LYS A 15 0.910 -10.185 -9.487 1.00 0.00 C ATOM 234 O LYS A 15 1.998 -10.750 -9.593 1.00 0.00 O ATOM 235 CB LYS A 15 -1.499 -10.858 -9.594 1.00 0.00 C ATOM 236 CG LYS A 15 -1.327 -12.048 -8.665 1.00 0.00 C ATOM 237 CD LYS A 15 -1.815 -13.335 -9.312 1.00 0.00 C ATOM 238 CE LYS A 15 -2.564 -14.209 -8.318 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.677 -15.235 -7.703 1.00 0.00 N ATOM 0 H LYS A 15 0.811 -12.285 -10.877 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.456 -9.676 -11.052 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.771 -9.983 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.329 -11.055 -10.273 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.276 -12.151 -8.395 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.878 -11.872 -7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.467 -13.097 -10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.965 -13.886 -9.715 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.993 -13.583 -7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.395 -14.702 -8.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.225 -15.810 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.288 -15.848 -8.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.898 -14.764 -7.200 1.00 0.00 H new ATOM 253 N ALA A 16 0.668 -9.244 -8.585 1.00 0.00 N ATOM 254 CA ALA A 16 1.690 -8.809 -7.643 1.00 0.00 C ATOM 255 C ALA A 16 1.714 -9.693 -6.402 1.00 0.00 C ATOM 256 O ALA A 16 0.679 -9.935 -5.781 1.00 0.00 O ATOM 257 CB ALA A 16 1.447 -7.362 -7.249 1.00 0.00 C ATOM 0 H ALA A 16 -0.228 -8.767 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 16 2.660 -8.893 -8.133 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.215 -7.043 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.485 -6.732 -8.137 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.466 -7.272 -6.782 1.00 0.00 H new ATOM 263 N LEU A 17 2.902 -10.166 -6.041 1.00 0.00 N ATOM 264 CA LEU A 17 3.052 -11.014 -4.867 1.00 0.00 C ATOM 265 C LEU A 17 2.656 -10.249 -3.609 1.00 0.00 C ATOM 266 O LEU A 17 3.378 -9.360 -3.161 1.00 0.00 O ATOM 267 CB LEU A 17 4.494 -11.513 -4.741 1.00 0.00 C ATOM 268 CG LEU A 17 4.777 -12.354 -3.493 1.00 0.00 C ATOM 269 CD1 LEU A 17 5.629 -13.564 -3.842 1.00 0.00 C ATOM 270 CD2 LEU A 17 5.459 -11.512 -2.424 1.00 0.00 C ATOM 0 H LEU A 17 3.770 -9.977 -6.542 1.00 0.00 H new ATOM 0 HA LEU A 17 2.394 -11.875 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.737 -12.105 -5.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.163 -10.652 -4.741 1.00 0.00 H new ATOM 0 HG LEU A 17 3.825 -12.708 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.818 -14.148 -2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.103 -14.181 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.577 -13.232 -4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.652 -12.127 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.402 -11.126 -2.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.812 -10.679 -2.149 1.00 0.00 H new ATOM 282 N GLU A 18 1.499 -10.595 -3.053 1.00 0.00 N ATOM 283 CA GLU A 18 0.995 -9.936 -1.852 1.00 0.00 C ATOM 284 C GLU A 18 2.052 -9.886 -0.750 1.00 0.00 C ATOM 285 O GLU A 18 2.135 -10.786 0.087 1.00 0.00 O ATOM 286 CB GLU A 18 -0.258 -10.655 -1.343 1.00 0.00 C ATOM 287 CG GLU A 18 -1.504 -9.785 -1.357 1.00 0.00 C ATOM 288 CD GLU A 18 -2.314 -9.945 -2.629 1.00 0.00 C ATOM 289 OE1 GLU A 18 -2.177 -10.994 -3.291 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.086 -9.020 -2.960 1.00 0.00 O ATOM 0 H GLU A 18 0.891 -11.330 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 18 0.742 -8.910 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.435 -11.539 -1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.079 -11.004 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.128 -10.037 -0.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.214 -8.740 -1.244 1.00 0.00 H new ATOM 297 N LEU A 19 2.844 -8.818 -0.746 1.00 0.00 N ATOM 298 CA LEU A 19 3.880 -8.636 0.264 1.00 0.00 C ATOM 299 C LEU A 19 3.233 -8.445 1.630 1.00 0.00 C ATOM 300 O LEU A 19 3.258 -9.342 2.473 1.00 0.00 O ATOM 301 CB LEU A 19 4.751 -7.430 -0.082 1.00 0.00 C ATOM 302 CG LEU A 19 6.258 -7.662 0.010 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.744 -8.506 -1.159 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.992 -6.332 0.053 1.00 0.00 C ATOM 0 H LEU A 19 2.788 -8.065 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 19 4.514 -9.522 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.511 -7.109 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.486 -6.609 0.584 1.00 0.00 H new ATOM 0 HG LEU A 19 6.470 -8.205 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.820 -8.659 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.238 -9.471 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.523 -7.993 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.065 -6.511 0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.773 -5.766 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.665 -5.764 0.924 1.00 0.00 H new ATOM 316 N SER A 20 2.626 -7.281 1.824 1.00 0.00 N ATOM 317 CA SER A 20 1.936 -6.979 3.068 1.00 0.00 C ATOM 318 C SER A 20 0.768 -6.039 2.806 1.00 0.00 C ATOM 319 O SER A 20 0.953 -4.916 2.340 1.00 0.00 O ATOM 320 CB SER A 20 2.885 -6.396 4.109 1.00 0.00 C ATOM 321 OG SER A 20 3.827 -5.519 3.519 1.00 0.00 O ATOM 0 H SER A 20 2.599 -6.531 1.134 1.00 0.00 H new ATOM 0 HA SER A 20 1.548 -7.913 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.312 -5.860 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.409 -7.205 4.619 1.00 0.00 H new ATOM 0 HG SER A 20 4.733 -5.852 3.686 1.00 0.00 H new ATOM 327 N GLU A 21 -0.442 -6.523 3.069 1.00 0.00 N ATOM 328 CA GLU A 21 -1.646 -5.740 2.819 1.00 0.00 C ATOM 329 C GLU A 21 -2.343 -5.281 4.096 1.00 0.00 C ATOM 330 O GLU A 21 -2.639 -6.078 4.987 1.00 0.00 O ATOM 331 CB GLU A 21 -2.628 -6.557 1.977 1.00 0.00 C ATOM 332 CG GLU A 21 -2.874 -7.959 2.513 1.00 0.00 C ATOM 333 CD GLU A 21 -4.346 -8.260 2.712 1.00 0.00 C ATOM 334 OE1 GLU A 21 -5.077 -8.352 1.703 1.00 0.00 O ATOM 335 OE2 GLU A 21 -4.771 -8.405 3.878 1.00 0.00 O ATOM 0 H GLU A 21 -0.614 -7.452 3.454 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.329 -4.844 2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.578 -6.025 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.247 -6.629 0.958 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.449 -8.687 1.822 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.352 -8.077 3.462 1.00 0.00 H new ATOM 342 N VAL A 22 -2.627 -3.984 4.149 1.00 0.00 N ATOM 343 CA VAL A 22 -3.320 -3.372 5.268 1.00 0.00 C ATOM 344 C VAL A 22 -4.612 -2.732 4.769 1.00 0.00 C ATOM 345 O VAL A 22 -4.642 -2.158 3.681 1.00 0.00 O ATOM 346 CB VAL A 22 -2.444 -2.302 5.933 1.00 0.00 C ATOM 347 CG1 VAL A 22 -2.012 -1.263 4.915 1.00 0.00 C ATOM 348 CG2 VAL A 22 -3.173 -1.647 7.096 1.00 0.00 C ATOM 0 H VAL A 22 -2.379 -3.327 3.410 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.544 -4.143 6.005 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.553 -2.789 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.391 -0.511 5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.441 -1.746 4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.893 -0.784 4.488 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.530 -0.893 7.550 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.086 -1.175 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.426 -2.403 7.839 1.00 0.00 H new ATOM 358 N LYS A 23 -5.685 -2.849 5.544 1.00 0.00 N ATOM 359 CA LYS A 23 -6.967 -2.290 5.128 1.00 0.00 C ATOM 360 C LYS A 23 -7.523 -1.285 6.118 1.00 0.00 C ATOM 361 O LYS A 23 -7.328 -1.400 7.329 1.00 0.00 O ATOM 362 CB LYS A 23 -8.001 -3.399 4.944 1.00 0.00 C ATOM 363 CG LYS A 23 -7.485 -4.596 4.164 1.00 0.00 C ATOM 364 CD LYS A 23 -8.617 -5.339 3.472 1.00 0.00 C ATOM 365 CE LYS A 23 -9.199 -6.427 4.362 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.083 -7.775 3.741 1.00 0.00 N ATOM 0 H LYS A 23 -5.695 -3.318 6.450 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.777 -1.776 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.339 -3.734 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.871 -2.990 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.760 -4.263 3.422 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.962 -5.274 4.839 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.402 -4.634 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.250 -5.783 2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.683 -6.424 5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.248 -6.209 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.491 -8.488 4.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.596 -7.786 2.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.080 -7.995 3.573 1.00 0.00 H new ATOM 380 N ASP A 24 -8.267 -0.331 5.582 1.00 0.00 N ATOM 381 CA ASP A 24 -8.929 0.675 6.386 1.00 0.00 C ATOM 382 C ASP A 24 -10.390 0.731 5.966 1.00 0.00 C ATOM 383 O ASP A 24 -10.721 1.210 4.882 1.00 0.00 O ATOM 384 CB ASP A 24 -8.268 2.042 6.201 1.00 0.00 C ATOM 385 CG ASP A 24 -8.455 2.942 7.407 1.00 0.00 C ATOM 386 OD1 ASP A 24 -8.622 2.410 8.524 1.00 0.00 O ATOM 387 OD2 ASP A 24 -8.433 4.179 7.233 1.00 0.00 O ATOM 0 H ASP A 24 -8.427 -0.235 4.579 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.850 0.414 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.203 1.905 6.015 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.686 2.528 5.320 1.00 0.00 H new ATOM 392 N LEU A 25 -11.256 0.213 6.822 1.00 0.00 N ATOM 393 CA LEU A 25 -12.680 0.173 6.536 1.00 0.00 C ATOM 394 C LEU A 25 -13.481 0.809 7.662 1.00 0.00 C ATOM 395 O LEU A 25 -13.988 0.122 8.548 1.00 0.00 O ATOM 396 CB LEU A 25 -13.118 -1.274 6.314 1.00 0.00 C ATOM 397 CG LEU A 25 -12.362 -2.000 5.200 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.183 -3.470 5.540 1.00 0.00 C ATOM 399 CD2 LEU A 25 -13.089 -1.838 3.872 1.00 0.00 C ATOM 0 H LEU A 25 -10.996 -0.187 7.724 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.871 0.747 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.988 -1.827 7.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.183 -1.287 6.082 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.373 -1.552 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.643 -3.967 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.617 -3.563 6.467 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.160 -3.937 5.663 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.538 -2.360 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.092 -2.258 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.158 -0.779 3.622 1.00 0.00 H new ATOM 411 N SER A 26 -13.577 2.128 7.618 1.00 0.00 N ATOM 412 CA SER A 26 -14.306 2.880 8.635 1.00 0.00 C ATOM 413 C SER A 26 -15.681 3.324 8.137 1.00 0.00 C ATOM 414 O SER A 26 -16.593 3.548 8.933 1.00 0.00 O ATOM 415 CB SER A 26 -13.494 4.102 9.069 1.00 0.00 C ATOM 416 OG SER A 26 -12.444 3.733 9.946 1.00 0.00 O ATOM 0 H SER A 26 -13.159 2.705 6.888 1.00 0.00 H new ATOM 0 HA SER A 26 -14.456 2.218 9.487 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.081 4.598 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.148 4.820 9.563 1.00 0.00 H new ATOM 0 HG SER A 26 -11.940 4.532 10.207 1.00 0.00 H new ATOM 422 N GLN A 27 -15.825 3.465 6.822 1.00 0.00 N ATOM 423 CA GLN A 27 -17.091 3.897 6.236 1.00 0.00 C ATOM 424 C GLN A 27 -17.889 2.719 5.682 1.00 0.00 C ATOM 425 O GLN A 27 -19.109 2.803 5.532 1.00 0.00 O ATOM 426 CB GLN A 27 -16.837 4.919 5.127 1.00 0.00 C ATOM 427 CG GLN A 27 -16.616 6.332 5.640 1.00 0.00 C ATOM 428 CD GLN A 27 -17.913 7.031 6.000 1.00 0.00 C ATOM 429 OE1 GLN A 27 -18.575 6.673 6.973 1.00 0.00 O ATOM 430 NE2 GLN A 27 -18.282 8.035 5.213 1.00 0.00 N ATOM 0 H GLN A 27 -15.084 3.287 6.144 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.680 4.358 7.029 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.964 4.610 4.552 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.686 4.919 4.443 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -15.970 6.299 6.517 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -16.093 6.913 4.880 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -17.702 8.298 4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -19.145 8.543 5.405 1.00 0.00 H new ATOM 439 N PHE A 28 -17.201 1.627 5.376 1.00 0.00 N ATOM 440 CA PHE A 28 -17.854 0.436 4.834 1.00 0.00 C ATOM 441 C PHE A 28 -18.325 -0.476 5.965 1.00 0.00 C ATOM 442 O PHE A 28 -17.535 -0.875 6.821 1.00 0.00 O ATOM 443 CB PHE A 28 -16.902 -0.320 3.900 1.00 0.00 C ATOM 444 CG PHE A 28 -15.839 0.554 3.296 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.050 1.211 2.095 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.632 0.726 3.944 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.071 2.024 1.555 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.649 1.534 3.412 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.868 2.185 2.217 1.00 0.00 C ATOM 0 H PHE A 28 -16.192 1.538 5.493 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.724 0.752 4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.425 -1.128 4.455 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.480 -0.781 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -16.989 1.087 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.455 0.220 4.882 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.246 2.532 0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.710 1.656 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.101 2.820 1.798 1.00 0.00 H new ATOM 459 N GLY A 29 -19.618 -0.794 5.967 1.00 0.00 N ATOM 460 CA GLY A 29 -20.182 -1.648 7.003 1.00 0.00 C ATOM 461 C GLY A 29 -19.337 -2.877 7.288 1.00 0.00 C ATOM 462 O GLY A 29 -18.404 -3.181 6.549 1.00 0.00 O ATOM 0 H GLY A 29 -20.288 -0.475 5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.293 -1.070 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.181 -1.963 6.702 1.00 0.00 H new ATOM 466 N PHE A 30 -19.666 -3.583 8.367 1.00 0.00 N ATOM 467 CA PHE A 30 -18.929 -4.784 8.751 1.00 0.00 C ATOM 468 C PHE A 30 -19.096 -5.888 7.710 1.00 0.00 C ATOM 469 O PHE A 30 -18.261 -6.787 7.605 1.00 0.00 O ATOM 470 CB PHE A 30 -19.398 -5.281 10.119 1.00 0.00 C ATOM 471 CG PHE A 30 -20.891 -5.392 10.242 1.00 0.00 C ATOM 472 CD1 PHE A 30 -21.555 -6.518 9.784 1.00 0.00 C ATOM 473 CD2 PHE A 30 -21.629 -4.370 10.818 1.00 0.00 C ATOM 474 CE1 PHE A 30 -22.928 -6.624 9.897 1.00 0.00 C ATOM 475 CE2 PHE A 30 -23.002 -4.470 10.934 1.00 0.00 C ATOM 476 CZ PHE A 30 -23.653 -5.598 10.473 1.00 0.00 C ATOM 0 H PHE A 30 -20.437 -3.344 8.990 1.00 0.00 H new ATOM 0 HA PHE A 30 -17.872 -4.525 8.809 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -18.953 -6.257 10.313 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.028 -4.603 10.888 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -20.993 -7.323 9.333 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -21.125 -3.486 11.180 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.434 -7.507 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.566 -3.667 11.385 1.00 0.00 H new ATOM 0 HZ PHE A 30 -24.726 -5.678 10.563 1.00 0.00 H new ATOM 486 N PHE A 31 -20.176 -5.813 6.939 1.00 0.00 N ATOM 487 CA PHE A 31 -20.448 -6.801 5.903 1.00 0.00 C ATOM 488 C PHE A 31 -19.880 -6.343 4.566 1.00 0.00 C ATOM 489 O PHE A 31 -19.390 -7.149 3.775 1.00 0.00 O ATOM 490 CB PHE A 31 -21.954 -7.039 5.777 1.00 0.00 C ATOM 491 CG PHE A 31 -22.737 -5.788 5.499 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.970 -5.376 4.196 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.240 -5.023 6.539 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.689 -4.224 3.937 1.00 0.00 C ATOM 495 CE2 PHE A 31 -23.960 -3.872 6.286 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.184 -3.471 4.984 1.00 0.00 C ATOM 0 H PHE A 31 -20.878 -5.077 7.013 1.00 0.00 H new ATOM 0 HA PHE A 31 -19.965 -7.736 6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.135 -7.757 4.977 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.321 -7.490 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.586 -5.962 3.374 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.067 -5.331 7.560 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.863 -3.913 2.918 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -24.348 -3.286 7.106 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.745 -2.570 4.784 1.00 0.00 H new ATOM 506 N GLU A 32 -19.946 -5.037 4.323 1.00 0.00 N ATOM 507 CA GLU A 32 -19.435 -4.461 3.086 1.00 0.00 C ATOM 508 C GLU A 32 -17.919 -4.317 3.147 1.00 0.00 C ATOM 509 O GLU A 32 -17.223 -4.575 2.166 1.00 0.00 O ATOM 510 CB GLU A 32 -20.079 -3.099 2.827 1.00 0.00 C ATOM 511 CG GLU A 32 -19.713 -2.499 1.480 1.00 0.00 C ATOM 512 CD GLU A 32 -20.662 -1.397 1.054 1.00 0.00 C ATOM 513 OE1 GLU A 32 -20.499 -0.255 1.534 1.00 0.00 O ATOM 514 OE2 GLU A 32 -21.569 -1.675 0.241 1.00 0.00 O ATOM 0 H GLU A 32 -20.349 -4.358 4.968 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.689 -5.133 2.266 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -21.162 -3.202 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.780 -2.409 3.616 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -18.699 -2.102 1.527 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -19.713 -3.285 0.725 1.00 0.00 H new ATOM 521 N ARG A 33 -17.414 -3.906 4.308 1.00 0.00 N ATOM 522 CA ARG A 33 -15.977 -3.728 4.502 1.00 0.00 C ATOM 523 C ARG A 33 -15.209 -4.943 3.994 1.00 0.00 C ATOM 524 O ARG A 33 -14.119 -4.814 3.438 1.00 0.00 O ATOM 525 CB ARG A 33 -15.661 -3.489 5.980 1.00 0.00 C ATOM 526 CG ARG A 33 -15.923 -4.695 6.867 1.00 0.00 C ATOM 527 CD ARG A 33 -15.362 -4.492 8.265 1.00 0.00 C ATOM 528 NE ARG A 33 -13.979 -4.947 8.372 1.00 0.00 N ATOM 529 CZ ARG A 33 -13.603 -6.217 8.241 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.505 -7.160 7.997 1.00 0.00 N ATOM 531 NH2 ARG A 33 -12.324 -6.546 8.354 1.00 0.00 N ATOM 0 H ARG A 33 -17.979 -3.690 5.129 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.664 -2.855 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.614 -3.200 6.076 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.258 -2.650 6.338 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -16.996 -4.877 6.928 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.474 -5.582 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -15.417 -3.436 8.528 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -15.978 -5.032 8.984 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.258 -4.250 8.558 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.491 -6.912 7.909 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.212 -8.132 7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.627 -5.826 8.542 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.037 -7.520 8.253 1.00 0.00 H new ATOM 545 N SER A 34 -15.793 -6.120 4.181 1.00 0.00 N ATOM 546 CA SER A 34 -15.174 -7.358 3.733 1.00 0.00 C ATOM 547 C SER A 34 -14.997 -7.338 2.219 1.00 0.00 C ATOM 548 O SER A 34 -13.890 -7.514 1.704 1.00 0.00 O ATOM 549 CB SER A 34 -16.031 -8.555 4.149 1.00 0.00 C ATOM 550 OG SER A 34 -15.433 -9.775 3.748 1.00 0.00 O ATOM 0 H SER A 34 -16.695 -6.242 4.641 1.00 0.00 H new ATOM 0 HA SER A 34 -14.193 -7.450 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.166 -8.551 5.231 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.022 -8.469 3.704 1.00 0.00 H new ATOM 0 HG SER A 34 -16.000 -10.524 4.027 1.00 0.00 H new ATOM 556 N SER A 35 -16.098 -7.109 1.511 1.00 0.00 N ATOM 557 CA SER A 35 -16.074 -7.051 0.057 1.00 0.00 C ATOM 558 C SER A 35 -15.164 -5.925 -0.419 1.00 0.00 C ATOM 559 O SER A 35 -14.386 -6.097 -1.360 1.00 0.00 O ATOM 560 CB SER A 35 -17.487 -6.849 -0.492 1.00 0.00 C ATOM 561 OG SER A 35 -17.580 -7.287 -1.836 1.00 0.00 O ATOM 0 H SER A 35 -17.019 -6.960 1.923 1.00 0.00 H new ATOM 0 HA SER A 35 -15.683 -7.998 -0.316 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.201 -7.397 0.123 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.757 -5.795 -0.430 1.00 0.00 H new ATOM 0 HG SER A 35 -18.494 -7.149 -2.163 1.00 0.00 H new ATOM 567 N VAL A 36 -15.257 -4.770 0.238 1.00 0.00 N ATOM 568 CA VAL A 36 -14.428 -3.630 -0.130 1.00 0.00 C ATOM 569 C VAL A 36 -12.957 -3.968 0.038 1.00 0.00 C ATOM 570 O VAL A 36 -12.153 -3.730 -0.859 1.00 0.00 O ATOM 571 CB VAL A 36 -14.741 -2.367 0.696 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.314 -1.130 -0.074 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.217 -2.289 1.061 1.00 0.00 C ATOM 0 H VAL A 36 -15.891 -4.602 1.019 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.656 -3.414 -1.174 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.178 -2.421 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.538 -0.240 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.243 -1.176 -0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.855 -1.085 -1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.401 -1.386 1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.816 -2.262 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.493 -3.163 1.651 1.00 0.00 H new ATOM 583 N GLY A 37 -12.608 -4.539 1.191 1.00 0.00 N ATOM 584 CA GLY A 37 -11.226 -4.914 1.442 1.00 0.00 C ATOM 585 C GLY A 37 -10.646 -5.689 0.282 1.00 0.00 C ATOM 586 O GLY A 37 -9.590 -5.337 -0.242 1.00 0.00 O ATOM 0 H GLY A 37 -13.255 -4.747 1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.630 -4.018 1.617 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.170 -5.517 2.349 1.00 0.00 H new ATOM 590 N GLN A 38 -11.357 -6.728 -0.144 1.00 0.00 N ATOM 591 CA GLN A 38 -10.914 -7.523 -1.279 1.00 0.00 C ATOM 592 C GLN A 38 -10.780 -6.619 -2.498 1.00 0.00 C ATOM 593 O GLN A 38 -9.919 -6.825 -3.354 1.00 0.00 O ATOM 594 CB GLN A 38 -11.902 -8.655 -1.564 1.00 0.00 C ATOM 595 CG GLN A 38 -12.361 -9.385 -0.314 1.00 0.00 C ATOM 596 CD GLN A 38 -12.234 -10.891 -0.436 1.00 0.00 C ATOM 597 OE1 GLN A 38 -11.305 -11.493 0.101 1.00 0.00 O ATOM 598 NE2 GLN A 38 -13.170 -11.508 -1.148 1.00 0.00 N ATOM 0 H GLN A 38 -12.234 -7.036 0.276 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.947 -7.971 -1.048 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -12.773 -8.247 -2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.438 -9.370 -2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.774 -9.043 0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.400 -9.128 -0.109 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.923 -10.969 -1.576 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.136 -12.521 -1.267 1.00 0.00 H new ATOM 607 N PHE A 39 -11.634 -5.599 -2.551 1.00 0.00 N ATOM 608 CA PHE A 39 -11.617 -4.633 -3.638 1.00 0.00 C ATOM 609 C PHE A 39 -10.344 -3.798 -3.586 1.00 0.00 C ATOM 610 O PHE A 39 -9.674 -3.595 -4.600 1.00 0.00 O ATOM 611 CB PHE A 39 -12.842 -3.720 -3.555 1.00 0.00 C ATOM 612 CG PHE A 39 -13.221 -3.109 -4.872 1.00 0.00 C ATOM 613 CD1 PHE A 39 -13.515 -3.909 -5.963 1.00 0.00 C ATOM 614 CD2 PHE A 39 -13.283 -1.733 -5.017 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.862 -3.348 -7.178 1.00 0.00 C ATOM 616 CE2 PHE A 39 -13.630 -1.165 -6.228 1.00 0.00 C ATOM 617 CZ PHE A 39 -13.920 -1.974 -7.310 1.00 0.00 C ATOM 0 H PHE A 39 -12.350 -5.423 -1.846 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.643 -5.176 -4.583 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.687 -4.292 -3.172 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.644 -2.924 -2.837 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -13.473 -4.984 -5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -13.058 -1.097 -4.174 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -14.087 -3.983 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -13.674 -0.091 -6.329 1.00 0.00 H new ATOM 0 HZ PHE A 39 -14.192 -1.533 -8.258 1.00 0.00 H new ATOM 627 N MET A 40 -10.016 -3.316 -2.391 1.00 0.00 N ATOM 628 CA MET A 40 -8.829 -2.500 -2.190 1.00 0.00 C ATOM 629 C MET A 40 -7.559 -3.293 -2.490 1.00 0.00 C ATOM 630 O MET A 40 -6.688 -2.832 -3.228 1.00 0.00 O ATOM 631 CB MET A 40 -8.793 -1.962 -0.758 1.00 0.00 C ATOM 632 CG MET A 40 -9.551 -0.655 -0.585 1.00 0.00 C ATOM 633 SD MET A 40 -10.045 -0.353 1.124 1.00 0.00 S ATOM 634 CE MET A 40 -11.266 -1.639 1.358 1.00 0.00 C ATOM 0 H MET A 40 -10.561 -3.479 -1.544 1.00 0.00 H new ATOM 0 HA MET A 40 -8.874 -1.660 -2.883 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.215 -2.710 -0.086 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.755 -1.814 -0.459 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.927 0.170 -0.929 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.438 -0.669 -1.218 1.00 0.00 H new ATOM 0 HE1 MET A 40 -12.235 -1.187 1.571 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.338 -2.241 0.452 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.970 -2.274 2.193 1.00 0.00 H new ATOM 644 N THR A 41 -7.461 -4.488 -1.917 1.00 0.00 N ATOM 645 CA THR A 41 -6.297 -5.342 -2.127 1.00 0.00 C ATOM 646 C THR A 41 -6.164 -5.727 -3.595 1.00 0.00 C ATOM 647 O THR A 41 -5.157 -5.429 -4.228 1.00 0.00 O ATOM 648 CB THR A 41 -6.401 -6.602 -1.269 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.767 -6.277 0.061 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.114 -7.395 -1.212 1.00 0.00 C ATOM 0 H THR A 41 -8.172 -4.887 -1.304 1.00 0.00 H new ATOM 0 HA THR A 41 -5.410 -4.781 -1.833 1.00 0.00 H new ATOM 0 HB THR A 41 -7.165 -7.214 -1.748 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.617 -5.321 0.217 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.257 -8.276 -0.587 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.833 -7.706 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.323 -6.775 -0.790 1.00 0.00 H new ATOM 658 N PHE A 42 -7.188 -6.390 -4.132 1.00 0.00 N ATOM 659 CA PHE A 42 -7.184 -6.809 -5.534 1.00 0.00 C ATOM 660 C PHE A 42 -6.686 -5.679 -6.431 1.00 0.00 C ATOM 661 O PHE A 42 -5.934 -5.903 -7.382 1.00 0.00 O ATOM 662 CB PHE A 42 -8.587 -7.238 -5.965 1.00 0.00 C ATOM 663 CG PHE A 42 -8.598 -8.144 -7.162 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.493 -7.623 -8.442 1.00 0.00 C ATOM 665 CD2 PHE A 42 -8.713 -9.516 -7.009 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.503 -8.454 -9.546 1.00 0.00 C ATOM 667 CE2 PHE A 42 -8.723 -10.352 -8.109 1.00 0.00 C ATOM 668 CZ PHE A 42 -8.618 -9.821 -9.379 1.00 0.00 C ATOM 0 H PHE A 42 -8.030 -6.648 -3.618 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.508 -7.658 -5.635 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.075 -7.744 -5.132 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.177 -6.349 -6.187 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.402 -6.555 -8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -8.796 -9.937 -6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.421 -8.036 -10.538 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.813 -11.420 -7.975 1.00 0.00 H new ATOM 0 HZ PHE A 42 -8.626 -10.473 -10.240 1.00 0.00 H new ATOM 678 N PHE A 43 -7.104 -4.461 -6.105 1.00 0.00 N ATOM 679 CA PHE A 43 -6.704 -3.281 -6.859 1.00 0.00 C ATOM 680 C PHE A 43 -5.236 -2.954 -6.602 1.00 0.00 C ATOM 681 O PHE A 43 -4.538 -2.459 -7.485 1.00 0.00 O ATOM 682 CB PHE A 43 -7.583 -2.087 -6.471 1.00 0.00 C ATOM 683 CG PHE A 43 -7.813 -1.101 -7.584 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.993 -1.530 -8.891 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.852 0.259 -7.320 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.208 -0.623 -9.910 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.068 1.171 -8.335 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.245 0.730 -9.632 1.00 0.00 C ATOM 0 H PHE A 43 -7.723 -4.266 -5.319 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.833 -3.488 -7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.548 -2.458 -6.125 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.121 -1.568 -5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.965 -2.586 -9.114 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.712 0.610 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.347 -0.971 -10.923 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.098 2.228 -8.115 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.412 1.441 -10.427 1.00 0.00 H new ATOM 698 N ALA A 44 -4.778 -3.244 -5.385 1.00 0.00 N ATOM 699 CA ALA A 44 -3.393 -2.988 -4.997 1.00 0.00 C ATOM 700 C ALA A 44 -2.449 -4.019 -5.608 1.00 0.00 C ATOM 701 O ALA A 44 -1.358 -3.687 -6.071 1.00 0.00 O ATOM 702 CB ALA A 44 -3.267 -2.984 -3.483 1.00 0.00 C ATOM 0 H ALA A 44 -5.349 -3.658 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.108 -2.008 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.231 -2.792 -3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.905 -2.204 -3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.575 -3.953 -3.090 1.00 0.00 H new ATOM 708 N GLU A 45 -2.877 -5.271 -5.617 1.00 0.00 N ATOM 709 CA GLU A 45 -2.074 -6.339 -6.187 1.00 0.00 C ATOM 710 C GLU A 45 -1.904 -6.102 -7.682 1.00 0.00 C ATOM 711 O GLU A 45 -0.839 -6.346 -8.249 1.00 0.00 O ATOM 712 CB GLU A 45 -2.739 -7.691 -5.935 1.00 0.00 C ATOM 713 CG GLU A 45 -4.151 -7.769 -6.476 1.00 0.00 C ATOM 714 CD GLU A 45 -4.720 -9.174 -6.420 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.954 -9.677 -5.302 1.00 0.00 O ATOM 716 OE2 GLU A 45 -4.933 -9.770 -7.498 1.00 0.00 O ATOM 0 H GLU A 45 -3.774 -5.572 -5.237 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.093 -6.345 -5.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.137 -8.476 -6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.756 -7.887 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.793 -7.098 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.161 -7.418 -7.508 1.00 0.00 H new ATOM 723 N THR A 46 -2.965 -5.603 -8.310 1.00 0.00 N ATOM 724 CA THR A 46 -2.939 -5.309 -9.734 1.00 0.00 C ATOM 725 C THR A 46 -1.899 -4.232 -10.027 1.00 0.00 C ATOM 726 O THR A 46 -1.010 -4.430 -10.850 1.00 0.00 O ATOM 727 CB THR A 46 -4.328 -4.860 -10.206 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.118 -5.978 -10.566 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.300 -3.920 -11.396 1.00 0.00 C ATOM 0 H THR A 46 -3.852 -5.395 -7.852 1.00 0.00 H new ATOM 0 HA THR A 46 -2.665 -6.213 -10.278 1.00 0.00 H new ATOM 0 HB THR A 46 -4.752 -4.323 -9.358 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.001 -5.673 -10.863 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.320 -3.648 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.742 -3.020 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.818 -4.415 -12.239 1.00 0.00 H new ATOM 737 N VAL A 47 -2.019 -3.093 -9.351 1.00 0.00 N ATOM 738 CA VAL A 47 -1.079 -1.988 -9.553 1.00 0.00 C ATOM 739 C VAL A 47 0.359 -2.472 -9.516 1.00 0.00 C ATOM 740 O VAL A 47 1.081 -2.368 -10.501 1.00 0.00 O ATOM 741 CB VAL A 47 -1.216 -0.864 -8.505 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.992 0.299 -9.058 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.849 -1.344 -7.215 1.00 0.00 C ATOM 0 H VAL A 47 -2.750 -2.909 -8.664 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.332 -1.586 -10.534 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.203 -0.538 -8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.073 1.076 -8.298 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.477 0.698 -9.932 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.990 -0.033 -9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.921 -0.513 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.846 -1.732 -7.422 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.236 -2.133 -6.780 1.00 0.00 H new ATOM 753 N ALA A 48 0.776 -3.010 -8.379 1.00 0.00 N ATOM 754 CA ALA A 48 2.134 -3.511 -8.258 1.00 0.00 C ATOM 755 C ALA A 48 2.412 -4.498 -9.388 1.00 0.00 C ATOM 756 O ALA A 48 3.543 -4.625 -9.857 1.00 0.00 O ATOM 757 CB ALA A 48 2.360 -4.133 -6.891 1.00 0.00 C ATOM 0 H ALA A 48 0.203 -3.109 -7.541 1.00 0.00 H new ATOM 0 HA ALA A 48 2.837 -2.683 -8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.384 -4.501 -6.824 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.192 -3.383 -6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.666 -4.962 -6.749 1.00 0.00 H new ATOM 763 N SER A 49 1.353 -5.174 -9.841 1.00 0.00 N ATOM 764 CA SER A 49 1.461 -6.122 -10.939 1.00 0.00 C ATOM 765 C SER A 49 1.632 -5.375 -12.261 1.00 0.00 C ATOM 766 O SER A 49 2.421 -5.777 -13.115 1.00 0.00 O ATOM 767 CB SER A 49 0.222 -7.024 -10.990 1.00 0.00 C ATOM 768 OG SER A 49 -0.182 -7.277 -12.325 1.00 0.00 O ATOM 0 H SER A 49 0.412 -5.078 -9.460 1.00 0.00 H new ATOM 0 HA SER A 49 2.337 -6.750 -10.776 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.437 -7.968 -10.489 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.595 -6.552 -10.445 1.00 0.00 H new ATOM 0 HG SER A 49 -0.973 -7.856 -12.323 1.00 0.00 H new ATOM 774 N ARG A 50 0.894 -4.273 -12.418 1.00 0.00 N ATOM 775 CA ARG A 50 0.981 -3.468 -13.633 1.00 0.00 C ATOM 776 C ARG A 50 2.131 -2.473 -13.545 1.00 0.00 C ATOM 777 O ARG A 50 2.547 -1.904 -14.554 1.00 0.00 O ATOM 778 CB ARG A 50 -0.335 -2.744 -13.946 1.00 0.00 C ATOM 779 CG ARG A 50 -1.079 -2.252 -12.724 1.00 0.00 C ATOM 780 CD ARG A 50 -1.614 -0.841 -12.917 1.00 0.00 C ATOM 781 NE ARG A 50 -2.303 -0.683 -14.195 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.008 0.397 -14.529 1.00 0.00 C ATOM 783 NH1 ARG A 50 -3.123 1.410 -13.680 1.00 0.00 N ATOM 784 NH2 ARG A 50 -3.599 0.462 -15.714 1.00 0.00 N ATOM 0 H ARG A 50 0.235 -3.922 -11.723 1.00 0.00 H new ATOM 0 HA ARG A 50 1.176 -4.156 -14.456 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.123 -1.894 -14.595 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.984 -3.419 -14.505 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.906 -2.927 -12.506 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.414 -2.273 -11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.299 -0.600 -12.104 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.789 -0.130 -12.860 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.241 -1.444 -14.871 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.671 1.364 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.664 2.235 -13.940 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.514 -0.315 -16.370 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.139 1.289 -15.970 1.00 0.00 H new ATOM 798 N THR A 51 2.664 -2.286 -12.341 1.00 0.00 N ATOM 799 CA THR A 51 3.785 -1.386 -12.151 1.00 0.00 C ATOM 800 C THR A 51 5.079 -2.156 -12.398 1.00 0.00 C ATOM 801 O THR A 51 5.468 -3.010 -11.601 1.00 0.00 O ATOM 802 CB THR A 51 3.755 -0.789 -10.741 1.00 0.00 C ATOM 803 OG1 THR A 51 2.614 0.031 -10.585 1.00 0.00 O ATOM 804 CG2 THR A 51 4.973 0.052 -10.416 1.00 0.00 C ATOM 0 H THR A 51 2.337 -2.745 -11.491 1.00 0.00 H new ATOM 0 HA THR A 51 3.723 -0.558 -12.858 1.00 0.00 H new ATOM 0 HB THR A 51 3.736 -1.640 -10.060 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.816 -0.531 -10.502 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.885 0.443 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.870 -0.563 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.041 0.881 -11.120 1.00 0.00 H new ATOM 812 N GLY A 52 5.722 -1.874 -13.527 1.00 0.00 N ATOM 813 CA GLY A 52 6.945 -2.575 -13.889 1.00 0.00 C ATOM 814 C GLY A 52 8.196 -2.032 -13.224 1.00 0.00 C ATOM 815 O GLY A 52 9.251 -1.958 -13.857 1.00 0.00 O ATOM 0 H GLY A 52 5.418 -1.171 -14.201 1.00 0.00 H new ATOM 0 HA2 GLY A 52 6.837 -3.628 -13.629 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.072 -2.525 -14.970 1.00 0.00 H new ATOM 819 N ALA A 53 8.096 -1.671 -11.949 1.00 0.00 N ATOM 820 CA ALA A 53 9.244 -1.152 -11.211 1.00 0.00 C ATOM 821 C ALA A 53 9.855 0.065 -11.897 1.00 0.00 C ATOM 822 O ALA A 53 9.686 0.266 -13.099 1.00 0.00 O ATOM 823 CB ALA A 53 10.293 -2.240 -11.042 1.00 0.00 C ATOM 0 H ALA A 53 7.235 -1.728 -11.406 1.00 0.00 H new ATOM 0 HA ALA A 53 8.890 -0.835 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.145 -1.842 -10.490 1.00 0.00 H new ATOM 0 HB2 ALA A 53 9.864 -3.077 -10.492 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.624 -2.582 -12.023 1.00 0.00 H new ATOM 829 N GLY A 54 10.558 0.882 -11.120 1.00 0.00 N ATOM 830 CA GLY A 54 11.176 2.071 -11.667 1.00 0.00 C ATOM 831 C GLY A 54 10.152 3.117 -12.044 1.00 0.00 C ATOM 832 O GLY A 54 10.457 4.063 -12.770 1.00 0.00 O ATOM 0 H GLY A 54 10.710 0.740 -10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.869 2.488 -10.937 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.762 1.804 -12.546 1.00 0.00 H new ATOM 836 N GLU A 55 8.929 2.946 -11.549 1.00 0.00 N ATOM 837 CA GLU A 55 7.860 3.882 -11.843 1.00 0.00 C ATOM 838 C GLU A 55 6.824 3.905 -10.726 1.00 0.00 C ATOM 839 O GLU A 55 6.831 3.055 -9.836 1.00 0.00 O ATOM 840 CB GLU A 55 7.184 3.519 -13.166 1.00 0.00 C ATOM 841 CG GLU A 55 6.951 2.027 -13.343 1.00 0.00 C ATOM 842 CD GLU A 55 5.974 1.717 -14.461 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.297 2.014 -15.629 1.00 0.00 O ATOM 844 OE2 GLU A 55 4.887 1.177 -14.165 1.00 0.00 O ATOM 0 H GLU A 55 8.659 2.169 -10.945 1.00 0.00 H new ATOM 0 HA GLU A 55 8.301 4.875 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.227 4.037 -13.229 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.799 3.882 -13.990 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.902 1.537 -13.551 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.574 1.609 -12.410 1.00 0.00 H new ATOM 851 N ARG A 56 5.932 4.886 -10.788 1.00 0.00 N ATOM 852 CA ARG A 56 4.877 5.033 -9.793 1.00 0.00 C ATOM 853 C ARG A 56 3.513 5.003 -10.469 1.00 0.00 C ATOM 854 O ARG A 56 3.395 5.316 -11.654 1.00 0.00 O ATOM 855 CB ARG A 56 5.055 6.341 -9.023 1.00 0.00 C ATOM 856 CG ARG A 56 6.489 6.601 -8.587 1.00 0.00 C ATOM 857 CD ARG A 56 6.752 8.085 -8.381 1.00 0.00 C ATOM 858 NE ARG A 56 7.933 8.538 -9.112 1.00 0.00 N ATOM 859 CZ ARG A 56 9.173 8.125 -8.850 1.00 0.00 C ATOM 860 NH1 ARG A 56 9.396 7.250 -7.877 1.00 0.00 N ATOM 861 NH2 ARG A 56 10.190 8.588 -9.563 1.00 0.00 N ATOM 0 H ARG A 56 5.919 5.595 -11.521 1.00 0.00 H new ATOM 0 HA ARG A 56 4.940 4.203 -9.090 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.718 7.169 -9.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.414 6.324 -8.142 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.691 6.063 -7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.175 6.210 -9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.883 8.656 -8.707 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.885 8.286 -7.318 1.00 0.00 H new ATOM 0 HE ARG A 56 7.801 9.210 -9.868 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.617 6.891 -7.326 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.347 6.937 -7.681 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.024 9.260 -10.312 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.139 8.272 -9.363 1.00 0.00 H new ATOM 875 N GLN A 57 2.480 4.622 -9.724 1.00 0.00 N ATOM 876 CA GLN A 57 1.133 4.558 -10.290 1.00 0.00 C ATOM 877 C GLN A 57 0.083 5.113 -9.341 1.00 0.00 C ATOM 878 O GLN A 57 0.137 4.903 -8.132 1.00 0.00 O ATOM 879 CB GLN A 57 0.760 3.117 -10.663 1.00 0.00 C ATOM 880 CG GLN A 57 1.344 2.661 -11.991 1.00 0.00 C ATOM 881 CD GLN A 57 0.747 3.398 -13.175 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.019 4.376 -13.009 1.00 0.00 O ATOM 883 NE2 GLN A 57 1.052 2.927 -14.379 1.00 0.00 N ATOM 0 H GLN A 57 2.545 4.356 -8.741 1.00 0.00 H new ATOM 0 HA GLN A 57 1.148 5.177 -11.187 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.103 2.446 -9.875 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.326 3.031 -10.704 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.423 2.813 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.174 1.591 -12.110 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.660 2.113 -14.469 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.678 3.379 -15.213 1.00 0.00 H new ATOM 892 N SER A 58 -0.899 5.791 -9.912 1.00 0.00 N ATOM 893 CA SER A 58 -1.995 6.338 -9.147 1.00 0.00 C ATOM 894 C SER A 58 -3.298 5.931 -9.818 1.00 0.00 C ATOM 895 O SER A 58 -3.687 6.495 -10.841 1.00 0.00 O ATOM 896 CB SER A 58 -1.891 7.863 -9.057 1.00 0.00 C ATOM 897 OG SER A 58 -0.593 8.263 -8.653 1.00 0.00 O ATOM 0 H SER A 58 -0.954 5.974 -10.914 1.00 0.00 H new ATOM 0 HA SER A 58 -1.962 5.948 -8.130 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.126 8.304 -10.026 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.628 8.240 -8.348 1.00 0.00 H new ATOM 0 HG SER A 58 -0.552 9.241 -8.605 1.00 0.00 H new ATOM 903 N ILE A 59 -3.955 4.934 -9.248 1.00 0.00 N ATOM 904 CA ILE A 59 -5.205 4.426 -9.803 1.00 0.00 C ATOM 905 C ILE A 59 -6.377 5.276 -9.339 1.00 0.00 C ATOM 906 O ILE A 59 -6.816 5.182 -8.194 1.00 0.00 O ATOM 907 CB ILE A 59 -5.459 2.942 -9.425 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.330 2.392 -8.557 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.607 2.087 -10.674 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.607 1.020 -8.005 1.00 0.00 C ATOM 0 H ILE A 59 -3.646 4.458 -8.401 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.114 4.483 -10.888 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.387 2.903 -8.854 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.413 2.359 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.152 3.078 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.784 1.051 -10.387 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.448 2.449 -11.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.694 2.148 -11.267 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.762 0.694 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.505 1.050 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.755 0.320 -8.827 1.00 0.00 H new ATOM 922 N GLU A 60 -6.868 6.109 -10.244 1.00 0.00 N ATOM 923 CA GLU A 60 -7.985 6.996 -9.948 1.00 0.00 C ATOM 924 C GLU A 60 -9.310 6.359 -10.342 1.00 0.00 C ATOM 925 O GLU A 60 -9.622 6.224 -11.524 1.00 0.00 O ATOM 926 CB GLU A 60 -7.810 8.328 -10.680 1.00 0.00 C ATOM 927 CG GLU A 60 -8.710 9.434 -10.152 1.00 0.00 C ATOM 928 CD GLU A 60 -9.962 9.613 -10.987 1.00 0.00 C ATOM 929 OE1 GLU A 60 -10.644 8.603 -11.258 1.00 0.00 O ATOM 930 OE2 GLU A 60 -10.259 10.764 -11.371 1.00 0.00 O ATOM 0 H GLU A 60 -6.509 6.190 -11.195 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.997 7.175 -8.873 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.771 8.645 -10.596 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.014 8.180 -11.741 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.992 9.208 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.154 10.371 -10.131 1.00 0.00 H new ATOM 937 N GLU A 61 -10.091 5.976 -9.340 1.00 0.00 N ATOM 938 CA GLU A 61 -11.388 5.360 -9.574 1.00 0.00 C ATOM 939 C GLU A 61 -12.506 6.276 -9.091 1.00 0.00 C ATOM 940 O GLU A 61 -12.250 7.299 -8.455 1.00 0.00 O ATOM 941 CB GLU A 61 -11.472 4.005 -8.868 1.00 0.00 C ATOM 942 CG GLU A 61 -12.121 2.919 -9.711 1.00 0.00 C ATOM 943 CD GLU A 61 -11.206 2.408 -10.807 1.00 0.00 C ATOM 944 OE1 GLU A 61 -10.651 3.240 -11.554 1.00 0.00 O ATOM 945 OE2 GLU A 61 -11.046 1.174 -10.918 1.00 0.00 O ATOM 0 H GLU A 61 -9.847 6.082 -8.355 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.506 5.201 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.467 3.686 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.036 4.121 -7.943 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.410 2.088 -9.067 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.035 3.309 -10.158 1.00 0.00 H new ATOM 952 N GLY A 62 -13.743 5.905 -9.393 1.00 0.00 N ATOM 953 CA GLY A 62 -14.876 6.709 -8.979 1.00 0.00 C ATOM 954 C GLY A 62 -15.033 6.770 -7.471 1.00 0.00 C ATOM 955 O GLY A 62 -15.807 7.579 -6.959 1.00 0.00 O ATOM 0 H GLY A 62 -13.982 5.063 -9.917 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.760 7.720 -9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.786 6.300 -9.418 1.00 0.00 H new ATOM 959 N ASN A 63 -14.306 5.915 -6.756 1.00 0.00 N ATOM 960 CA ASN A 63 -14.387 5.882 -5.301 1.00 0.00 C ATOM 961 C ASN A 63 -13.174 6.542 -4.651 1.00 0.00 C ATOM 962 O ASN A 63 -13.314 7.288 -3.682 1.00 0.00 O ATOM 963 CB ASN A 63 -14.520 4.441 -4.808 1.00 0.00 C ATOM 964 CG ASN A 63 -15.967 4.020 -4.632 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.343 3.470 -3.597 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.786 4.276 -5.644 1.00 0.00 N ATOM 0 H ASN A 63 -13.657 5.239 -7.160 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.273 6.448 -5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.033 3.771 -5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.996 4.335 -3.858 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.770 4.015 -5.582 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.432 4.734 -6.484 1.00 0.00 H new ATOM 973 N TYR A 64 -11.983 6.256 -5.169 1.00 0.00 N ATOM 974 CA TYR A 64 -10.764 6.825 -4.598 1.00 0.00 C ATOM 975 C TYR A 64 -9.549 6.632 -5.506 1.00 0.00 C ATOM 976 O TYR A 64 -9.668 6.188 -6.648 1.00 0.00 O ATOM 977 CB TYR A 64 -10.495 6.199 -3.225 1.00 0.00 C ATOM 978 CG TYR A 64 -10.857 4.732 -3.136 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.082 3.765 -3.765 1.00 0.00 C ATOM 980 CD2 TYR A 64 -11.971 4.314 -2.419 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.409 2.424 -3.683 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.304 2.975 -2.331 1.00 0.00 C ATOM 983 CZ TYR A 64 -11.520 2.036 -2.966 1.00 0.00 C ATOM 984 OH TYR A 64 -11.848 0.702 -2.881 1.00 0.00 O ATOM 0 H TYR A 64 -11.835 5.643 -5.971 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.922 7.899 -4.495 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.439 6.317 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.058 6.748 -2.470 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.210 4.066 -4.327 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.588 5.048 -1.922 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.797 1.685 -4.178 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.173 2.667 -1.768 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.658 0.598 -2.339 1.00 0.00 H new ATOM 994 N ILE A 65 -8.381 6.986 -4.973 1.00 0.00 N ATOM 995 CA ILE A 65 -7.118 6.878 -5.696 1.00 0.00 C ATOM 996 C ILE A 65 -6.279 5.724 -5.159 1.00 0.00 C ATOM 997 O ILE A 65 -6.393 5.349 -3.992 1.00 0.00 O ATOM 998 CB ILE A 65 -6.288 8.182 -5.560 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.633 9.169 -6.672 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.787 7.890 -5.567 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.705 10.364 -6.704 1.00 0.00 C ATOM 0 H ILE A 65 -8.285 7.356 -4.027 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.364 6.702 -6.743 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.546 8.631 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.591 8.656 -7.633 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.658 9.514 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.234 8.824 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.540 7.234 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.515 7.403 -6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.999 11.031 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.766 10.897 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.681 10.026 -6.865 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.413 5.189 -6.012 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.539 4.110 -5.604 1.00 0.00 C ATOM 1015 C GLY A 66 -3.090 4.399 -5.937 1.00 0.00 C ATOM 1016 O GLY A 66 -2.621 4.107 -7.036 1.00 0.00 O ATOM 0 H GLY A 66 -5.302 5.486 -6.982 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.639 3.948 -4.531 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.847 3.187 -6.096 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.380 4.990 -4.990 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.984 5.332 -5.199 1.00 0.00 C ATOM 1022 C HIS A 67 -0.121 4.079 -5.358 1.00 0.00 C ATOM 1023 O HIS A 67 -0.509 2.986 -4.951 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.466 6.183 -4.040 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.106 7.534 -3.964 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.107 8.428 -5.014 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -1.775 8.140 -2.955 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -1.747 9.526 -4.655 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.163 9.376 -3.411 1.00 0.00 N ATOM 0 H HIS A 67 -2.746 5.242 -4.072 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.917 5.908 -6.122 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.640 5.653 -3.103 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.612 6.305 -4.142 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -1.967 7.729 -1.975 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -1.903 10.398 -5.273 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.688 10.067 -2.875 1.00 0.00 H new ATOM 1038 N VAL A 68 1.052 4.253 -5.958 1.00 0.00 N ATOM 1039 CA VAL A 68 1.980 3.150 -6.182 1.00 0.00 C ATOM 1040 C VAL A 68 3.411 3.665 -6.225 1.00 0.00 C ATOM 1041 O VAL A 68 3.685 4.714 -6.806 1.00 0.00 O ATOM 1042 CB VAL A 68 1.672 2.413 -7.508 1.00 0.00 C ATOM 1043 CG1 VAL A 68 2.940 1.938 -8.202 1.00 0.00 C ATOM 1044 CG2 VAL A 68 0.754 1.233 -7.283 1.00 0.00 C ATOM 0 H VAL A 68 1.384 5.155 -6.300 1.00 0.00 H new ATOM 0 HA VAL A 68 1.861 2.450 -5.355 1.00 0.00 H new ATOM 0 HB VAL A 68 1.173 3.137 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.678 1.426 -9.128 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.574 2.795 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.478 1.252 -7.548 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.558 0.738 -8.234 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.227 0.529 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.186 1.580 -6.854 1.00 0.00 H new ATOM 1054 N TYR A 69 4.321 2.910 -5.628 1.00 0.00 N ATOM 1055 CA TYR A 69 5.724 3.283 -5.616 1.00 0.00 C ATOM 1056 C TYR A 69 6.605 2.049 -5.666 1.00 0.00 C ATOM 1057 O TYR A 69 6.660 1.269 -4.716 1.00 0.00 O ATOM 1058 CB TYR A 69 6.040 4.105 -4.374 1.00 0.00 C ATOM 1059 CG TYR A 69 5.114 5.281 -4.193 1.00 0.00 C ATOM 1060 CD1 TYR A 69 5.130 6.345 -5.086 1.00 0.00 C ATOM 1061 CD2 TYR A 69 4.217 5.324 -3.138 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.279 7.420 -4.928 1.00 0.00 C ATOM 1063 CE2 TYR A 69 3.362 6.394 -2.972 1.00 0.00 C ATOM 1064 CZ TYR A 69 3.397 7.440 -3.869 1.00 0.00 C ATOM 1065 OH TYR A 69 2.545 8.508 -3.707 1.00 0.00 O ATOM 0 H TYR A 69 4.111 2.036 -5.146 1.00 0.00 H new ATOM 0 HA TYR A 69 5.927 3.888 -6.500 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.979 3.463 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.067 4.465 -4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.819 6.331 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.187 4.506 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.304 8.240 -5.630 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.669 6.412 -2.144 1.00 0.00 H new ATOM 0 HH TYR A 69 3.065 9.313 -3.503 1.00 0.00 H new ATOM 1075 N ALA A 70 7.285 1.874 -6.789 1.00 0.00 N ATOM 1076 CA ALA A 70 8.159 0.726 -6.974 1.00 0.00 C ATOM 1077 C ALA A 70 9.628 1.125 -6.936 1.00 0.00 C ATOM 1078 O ALA A 70 10.003 2.212 -7.377 1.00 0.00 O ATOM 1079 CB ALA A 70 7.831 0.026 -8.282 1.00 0.00 C ATOM 0 H ALA A 70 7.249 2.511 -7.585 1.00 0.00 H new ATOM 0 HA ALA A 70 7.986 0.037 -6.147 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.491 -0.832 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.795 -0.313 -8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.971 0.720 -9.111 1.00 0.00 H new ATOM 1085 N ARG A 71 10.457 0.232 -6.404 1.00 0.00 N ATOM 1086 CA ARG A 71 11.890 0.476 -6.303 1.00 0.00 C ATOM 1087 C ARG A 71 12.639 -0.244 -7.419 1.00 0.00 C ATOM 1088 O ARG A 71 12.056 -1.034 -8.161 1.00 0.00 O ATOM 1089 CB ARG A 71 12.410 0.010 -4.941 1.00 0.00 C ATOM 1090 CG ARG A 71 13.638 0.769 -4.463 1.00 0.00 C ATOM 1091 CD ARG A 71 13.826 0.631 -2.961 1.00 0.00 C ATOM 1092 NE ARG A 71 14.326 1.862 -2.356 1.00 0.00 N ATOM 1093 CZ ARG A 71 15.599 2.246 -2.399 1.00 0.00 C ATOM 1094 NH1 ARG A 71 16.505 1.497 -3.015 1.00 0.00 N ATOM 1095 NH2 ARG A 71 15.969 3.382 -1.822 1.00 0.00 N ATOM 0 H ARG A 71 10.158 -0.671 -6.035 1.00 0.00 H new ATOM 0 HA ARG A 71 12.063 1.547 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.616 0.119 -4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.649 -1.052 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.523 0.394 -4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 71 13.540 1.823 -4.724 1.00 0.00 H new ATOM 0 HD2 ARG A 71 12.876 0.361 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.522 -0.182 -2.756 1.00 0.00 H new ATOM 0 HE ARG A 71 13.660 2.463 -1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.227 0.622 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.480 1.797 -3.045 1.00 0.00 H new ATOM 0 HH21 ARG A 71 15.277 3.961 -1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 71 16.945 3.676 -1.855 1.00 0.00 H new ATOM 1109 N SER A 72 13.934 0.031 -7.530 1.00 0.00 N ATOM 1110 CA SER A 72 14.762 -0.592 -8.556 1.00 0.00 C ATOM 1111 C SER A 72 15.188 -2.001 -8.145 1.00 0.00 C ATOM 1112 O SER A 72 15.676 -2.773 -8.969 1.00 0.00 O ATOM 1113 CB SER A 72 15.998 0.265 -8.830 1.00 0.00 C ATOM 1114 OG SER A 72 15.665 1.641 -8.877 1.00 0.00 O ATOM 0 H SER A 72 14.433 0.681 -6.922 1.00 0.00 H new ATOM 0 HA SER A 72 14.166 -0.668 -9.466 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.742 0.094 -8.052 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.450 -0.035 -9.775 1.00 0.00 H new ATOM 0 HG SER A 72 16.473 2.167 -9.052 1.00 0.00 H new ATOM 1120 N GLU A 73 15.006 -2.331 -6.867 1.00 0.00 N ATOM 1121 CA GLU A 73 15.379 -3.646 -6.360 1.00 0.00 C ATOM 1122 C GLU A 73 14.572 -4.752 -7.035 1.00 0.00 C ATOM 1123 O GLU A 73 15.127 -5.602 -7.729 1.00 0.00 O ATOM 1124 CB GLU A 73 15.182 -3.701 -4.845 1.00 0.00 C ATOM 1125 CG GLU A 73 15.873 -2.568 -4.102 1.00 0.00 C ATOM 1126 CD GLU A 73 17.319 -2.885 -3.773 1.00 0.00 C ATOM 1127 OE1 GLU A 73 17.618 -4.064 -3.486 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.153 -1.955 -3.801 1.00 0.00 O ATOM 0 H GLU A 73 14.604 -1.707 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 73 16.432 -3.809 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.115 -3.672 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.559 -4.653 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 73 15.832 -1.663 -4.708 1.00 0.00 H new ATOM 0 HG3 GLU A 73 15.331 -2.359 -3.179 1.00 0.00 H new ATOM 1135 N GLY A 74 13.257 -4.736 -6.826 1.00 0.00 N ATOM 1136 CA GLY A 74 12.402 -5.747 -7.423 1.00 0.00 C ATOM 1137 C GLY A 74 11.081 -5.907 -6.693 1.00 0.00 C ATOM 1138 O GLY A 74 10.099 -6.375 -7.270 1.00 0.00 O ATOM 0 H GLY A 74 12.771 -4.044 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.208 -5.484 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.927 -6.702 -7.429 1.00 0.00 H new ATOM 1142 N ILE A 75 11.055 -5.513 -5.424 1.00 0.00 N ATOM 1143 CA ILE A 75 9.843 -5.611 -4.614 1.00 0.00 C ATOM 1144 C ILE A 75 9.271 -4.218 -4.361 1.00 0.00 C ATOM 1145 O ILE A 75 9.854 -3.415 -3.632 1.00 0.00 O ATOM 1146 CB ILE A 75 10.111 -6.369 -3.276 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.272 -5.816 -2.101 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.598 -6.352 -2.935 1.00 0.00 C ATOM 1149 CD1 ILE A 75 10.086 -5.442 -0.874 1.00 0.00 C ATOM 0 H ILE A 75 11.859 -5.122 -4.933 1.00 0.00 H new ATOM 0 HA ILE A 75 9.105 -6.193 -5.166 1.00 0.00 H new ATOM 0 HB ILE A 75 9.796 -7.401 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.726 -4.937 -2.442 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.530 -6.562 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.763 -6.886 -1.999 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.160 -6.837 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.935 -5.321 -2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.421 -5.063 -0.098 1.00 0.00 H new ATOM 0 HD12 ILE A 75 10.612 -6.322 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.810 -4.672 -1.139 1.00 0.00 H new ATOM 1161 N CYS A 76 8.132 -3.940 -4.988 1.00 0.00 N ATOM 1162 CA CYS A 76 7.477 -2.645 -4.856 1.00 0.00 C ATOM 1163 C CYS A 76 6.334 -2.690 -3.851 1.00 0.00 C ATOM 1164 O CYS A 76 5.937 -3.757 -3.386 1.00 0.00 O ATOM 1165 CB CYS A 76 6.949 -2.186 -6.216 1.00 0.00 C ATOM 1166 SG CYS A 76 5.763 -3.321 -6.972 1.00 0.00 S ATOM 0 H CYS A 76 7.643 -4.598 -5.595 1.00 0.00 H new ATOM 0 HA CYS A 76 8.219 -1.936 -4.489 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.477 -1.210 -6.100 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.792 -2.054 -6.895 1.00 0.00 H new ATOM 0 HG CYS A 76 5.489 -4.281 -6.139 1.00 0.00 H new ATOM 1172 N GLY A 77 5.805 -1.516 -3.532 1.00 0.00 N ATOM 1173 CA GLY A 77 4.701 -1.420 -2.598 1.00 0.00 C ATOM 1174 C GLY A 77 3.555 -0.625 -3.182 1.00 0.00 C ATOM 1175 O GLY A 77 3.765 0.192 -4.079 1.00 0.00 O ATOM 0 H GLY A 77 6.124 -0.623 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.356 -2.420 -2.335 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.041 -0.948 -1.676 1.00 0.00 H new ATOM 1179 N VAL A 78 2.337 -0.856 -2.698 1.00 0.00 N ATOM 1180 CA VAL A 78 1.191 -0.130 -3.225 1.00 0.00 C ATOM 1181 C VAL A 78 0.364 0.521 -2.122 1.00 0.00 C ATOM 1182 O VAL A 78 0.262 0.003 -1.009 1.00 0.00 O ATOM 1183 CB VAL A 78 0.278 -1.042 -4.080 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.071 -0.392 -4.361 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.972 -1.428 -5.375 1.00 0.00 C ATOM 0 H VAL A 78 2.123 -1.525 -1.958 1.00 0.00 H new ATOM 0 HA VAL A 78 1.601 0.656 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 78 0.086 -1.947 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.681 -1.065 -4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.579 -0.187 -3.419 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.919 0.542 -4.902 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.315 -2.069 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.206 -0.529 -5.945 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.894 -1.964 -5.148 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.238 1.660 -2.457 1.00 0.00 N ATOM 1196 CA LEU A 79 -1.079 2.394 -1.519 1.00 0.00 C ATOM 1197 C LEU A 79 -2.368 2.849 -2.198 1.00 0.00 C ATOM 1198 O LEU A 79 -2.381 3.132 -3.394 1.00 0.00 O ATOM 1199 CB LEU A 79 -0.329 3.606 -0.962 1.00 0.00 C ATOM 1200 CG LEU A 79 1.119 3.345 -0.549 1.00 0.00 C ATOM 1201 CD1 LEU A 79 2.050 3.490 -1.743 1.00 0.00 C ATOM 1202 CD2 LEU A 79 1.531 4.295 0.566 1.00 0.00 C ATOM 0 H LEU A 79 -0.157 2.095 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.332 1.727 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.338 4.395 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.874 3.983 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 79 1.193 2.323 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.076 3.300 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.768 2.773 -2.514 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.974 4.501 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.565 4.097 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.441 5.324 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.883 4.145 1.430 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.449 2.931 -1.433 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.732 3.370 -1.977 1.00 0.00 C ATOM 1216 C ILE A 80 -5.454 4.281 -0.992 1.00 0.00 C ATOM 1217 O ILE A 80 -5.799 3.872 0.115 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.658 2.187 -2.359 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -5.016 0.849 -2.007 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.993 2.231 -3.842 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -5.793 -0.347 -2.518 1.00 0.00 C ATOM 0 H ILE A 80 -3.466 2.701 -0.439 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.504 3.920 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.579 2.285 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.007 0.820 -2.419 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.921 0.775 -0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.644 1.393 -4.093 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.501 3.167 -4.073 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.074 2.164 -4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.279 -1.264 -2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -6.794 -0.342 -2.086 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.866 -0.296 -3.604 1.00 0.00 H new ATOM 1233 N THR A 81 -5.671 5.524 -1.412 1.00 0.00 N ATOM 1234 CA THR A 81 -6.342 6.517 -0.580 1.00 0.00 C ATOM 1235 C THR A 81 -7.323 7.334 -1.411 1.00 0.00 C ATOM 1236 O THR A 81 -7.496 7.077 -2.595 1.00 0.00 O ATOM 1237 CB THR A 81 -5.307 7.441 0.064 1.00 0.00 C ATOM 1238 OG1 THR A 81 -5.910 8.632 0.533 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.198 7.833 -0.885 1.00 0.00 C ATOM 0 H THR A 81 -5.390 5.869 -2.330 1.00 0.00 H new ATOM 0 HA THR A 81 -6.897 5.999 0.202 1.00 0.00 H new ATOM 0 HB THR A 81 -4.883 6.869 0.889 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.317 9.066 1.181 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.495 8.489 -0.372 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.677 6.938 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.621 8.356 -1.743 1.00 0.00 H new ATOM 1247 N ASP A 82 -7.957 8.323 -0.785 1.00 0.00 N ATOM 1248 CA ASP A 82 -8.917 9.175 -1.477 1.00 0.00 C ATOM 1249 C ASP A 82 -8.204 10.198 -2.354 1.00 0.00 C ATOM 1250 O ASP A 82 -6.992 10.385 -2.247 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.815 9.891 -0.466 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.113 10.369 -1.084 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.124 11.480 -1.655 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.119 9.635 -0.995 1.00 0.00 O ATOM 0 H ASP A 82 -7.822 8.553 0.200 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.532 8.542 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.036 9.216 0.361 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.279 10.743 -0.048 1.00 0.00 H new ATOM 1259 N LYS A 83 -8.964 10.858 -3.223 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.403 11.862 -4.119 1.00 0.00 C ATOM 1261 C LYS A 83 -7.808 13.030 -3.333 1.00 0.00 C ATOM 1262 O LYS A 83 -6.983 13.781 -3.854 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.475 12.376 -5.083 1.00 0.00 C ATOM 1264 CG LYS A 83 -8.931 12.742 -6.455 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.718 12.068 -7.567 1.00 0.00 C ATOM 1266 CE LYS A 83 -10.964 12.860 -7.927 1.00 0.00 C ATOM 1267 NZ LYS A 83 -11.803 12.150 -8.930 1.00 0.00 N ATOM 0 H LYS A 83 -9.969 10.715 -3.325 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.605 11.390 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.245 11.613 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.956 13.251 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.969 13.823 -6.585 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.883 12.450 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -9.086 11.962 -8.449 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.002 11.063 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.551 13.042 -7.027 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.674 13.834 -8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.471 12.821 -9.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.193 11.746 -9.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.332 11.387 -8.462 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.221 13.173 -2.075 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.716 14.246 -1.221 1.00 0.00 C ATOM 1283 C GLN A 84 -6.473 13.784 -0.465 1.00 0.00 C ATOM 1284 O GLN A 84 -6.235 14.186 0.674 1.00 0.00 O ATOM 1285 CB GLN A 84 -8.794 14.696 -0.235 1.00 0.00 C ATOM 1286 CG GLN A 84 -9.879 15.552 -0.868 1.00 0.00 C ATOM 1287 CD GLN A 84 -10.506 14.895 -2.082 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -9.979 14.982 -3.191 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -11.638 14.232 -1.877 1.00 0.00 N ATOM 0 H GLN A 84 -8.902 12.561 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.447 15.092 -1.854 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.253 13.816 0.215 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.324 15.258 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.654 15.755 -0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.455 16.513 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.039 14.186 -0.940 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -12.106 13.769 -2.656 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.690 12.937 -1.117 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.468 12.398 -0.545 1.00 0.00 C ATOM 1300 C TYR A 85 -3.354 12.478 -1.583 1.00 0.00 C ATOM 1301 O TYR A 85 -3.013 11.482 -2.220 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.703 10.949 -0.126 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.672 10.381 0.826 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.336 10.275 0.461 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.047 9.923 2.083 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.403 9.729 1.323 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.120 9.381 2.951 1.00 0.00 C ATOM 1308 CZ TYR A 85 -1.800 9.285 2.566 1.00 0.00 C ATOM 1309 OH TYR A 85 -0.874 8.740 3.425 1.00 0.00 O ATOM 0 H TYR A 85 -5.886 12.604 -2.061 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.178 12.975 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.685 10.877 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.730 10.328 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.021 10.624 -0.511 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.081 9.992 2.386 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.368 9.651 1.024 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.428 9.034 3.926 1.00 0.00 H new ATOM 0 HH TYR A 85 -0.832 9.276 4.244 1.00 0.00 H new ATOM 1319 N PRO A 86 -2.788 13.679 -1.786 1.00 0.00 N ATOM 1320 CA PRO A 86 -1.728 13.908 -2.765 1.00 0.00 C ATOM 1321 C PRO A 86 -0.685 12.796 -2.781 1.00 0.00 C ATOM 1322 O PRO A 86 -0.423 12.156 -1.764 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.101 15.241 -2.324 1.00 0.00 C ATOM 1324 CG PRO A 86 -1.841 15.666 -1.091 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.143 14.920 -1.097 1.00 0.00 C ATOM 0 HA PRO A 86 -2.121 13.929 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.038 15.121 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.190 15.992 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.266 15.435 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.011 16.743 -1.092 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.510 14.734 -0.088 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.924 15.469 -1.624 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.100 12.572 -3.954 1.00 0.00 N ATOM 1334 CA VAL A 87 0.912 11.539 -4.127 1.00 0.00 C ATOM 1335 C VAL A 87 2.220 11.920 -3.434 1.00 0.00 C ATOM 1336 O VAL A 87 2.997 11.051 -3.040 1.00 0.00 O ATOM 1337 CB VAL A 87 1.179 11.281 -5.624 1.00 0.00 C ATOM 1338 CG1 VAL A 87 1.638 12.555 -6.314 1.00 0.00 C ATOM 1339 CG2 VAL A 87 2.197 10.167 -5.816 1.00 0.00 C ATOM 0 H VAL A 87 -0.312 13.096 -4.803 1.00 0.00 H new ATOM 0 HA VAL A 87 0.527 10.628 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 87 0.243 10.961 -6.082 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.821 12.352 -7.369 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.865 13.318 -6.220 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.557 12.910 -5.848 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.365 10.007 -6.881 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.136 10.446 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.820 9.248 -5.367 1.00 0.00 H new ATOM 1349 N ARG A 88 2.462 13.222 -3.289 1.00 0.00 N ATOM 1350 CA ARG A 88 3.682 13.702 -2.645 1.00 0.00 C ATOM 1351 C ARG A 88 3.865 13.068 -1.266 1.00 0.00 C ATOM 1352 O ARG A 88 4.876 12.412 -1.015 1.00 0.00 O ATOM 1353 CB ARG A 88 3.671 15.228 -2.542 1.00 0.00 C ATOM 1354 CG ARG A 88 3.298 15.912 -3.845 1.00 0.00 C ATOM 1355 CD ARG A 88 4.400 16.844 -4.326 1.00 0.00 C ATOM 1356 NE ARG A 88 3.872 17.956 -5.112 1.00 0.00 N ATOM 1357 CZ ARG A 88 4.620 18.954 -5.578 1.00 0.00 C ATOM 1358 NH1 ARG A 88 5.925 18.983 -5.339 1.00 0.00 N ATOM 1359 NH2 ARG A 88 4.061 19.926 -6.287 1.00 0.00 N ATOM 0 H ARG A 88 1.833 13.959 -3.607 1.00 0.00 H new ATOM 0 HA ARG A 88 4.528 13.404 -3.264 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.966 15.528 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.656 15.572 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.099 15.159 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.376 16.478 -3.708 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.945 17.234 -3.467 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.114 16.281 -4.928 1.00 0.00 H new ATOM 0 HE ARG A 88 2.873 17.969 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.361 18.238 -4.795 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.492 19.750 -5.699 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.059 19.909 -6.475 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.634 20.691 -6.644 1.00 0.00 H new ATOM 1373 N PRO A 89 2.890 13.226 -0.350 1.00 0.00 N ATOM 1374 CA PRO A 89 2.981 12.629 0.982 1.00 0.00 C ATOM 1375 C PRO A 89 2.966 11.115 0.895 1.00 0.00 C ATOM 1376 O PRO A 89 3.626 10.429 1.674 1.00 0.00 O ATOM 1377 CB PRO A 89 1.737 13.149 1.706 1.00 0.00 C ATOM 1378 CG PRO A 89 0.783 13.490 0.613 1.00 0.00 C ATOM 1379 CD PRO A 89 1.627 13.963 -0.538 1.00 0.00 C ATOM 0 HA PRO A 89 3.905 12.890 1.499 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.322 12.394 2.374 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.969 14.022 2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 89 0.187 12.622 0.330 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.086 14.265 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 89 1.165 13.733 -1.498 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.781 15.042 -0.509 1.00 0.00 H new ATOM 1387 N ALA A 90 2.241 10.599 -0.093 1.00 0.00 N ATOM 1388 CA ALA A 90 2.188 9.169 -0.312 1.00 0.00 C ATOM 1389 C ALA A 90 3.576 8.698 -0.704 1.00 0.00 C ATOM 1390 O ALA A 90 3.981 7.578 -0.395 1.00 0.00 O ATOM 1391 CB ALA A 90 1.166 8.821 -1.384 1.00 0.00 C ATOM 0 H ALA A 90 1.687 11.151 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 90 1.873 8.664 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.145 7.741 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.180 9.164 -1.071 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.440 9.308 -2.320 1.00 0.00 H new ATOM 1397 N TYR A 91 4.320 9.594 -1.356 1.00 0.00 N ATOM 1398 CA TYR A 91 5.681 9.299 -1.747 1.00 0.00 C ATOM 1399 C TYR A 91 6.526 9.172 -0.490 1.00 0.00 C ATOM 1400 O TYR A 91 7.324 8.241 -0.346 1.00 0.00 O ATOM 1401 CB TYR A 91 6.237 10.395 -2.658 1.00 0.00 C ATOM 1402 CG TYR A 91 7.528 10.014 -3.348 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.737 10.040 -2.665 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.537 9.625 -4.682 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.919 9.693 -3.291 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.714 9.275 -5.315 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.902 9.310 -4.616 1.00 0.00 C ATOM 1408 OH TYR A 91 11.076 8.964 -5.243 1.00 0.00 O ATOM 0 H TYR A 91 3.995 10.524 -1.619 1.00 0.00 H new ATOM 0 HA TYR A 91 5.705 8.364 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.490 10.641 -3.413 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.403 11.296 -2.068 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.754 10.337 -1.627 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.609 9.596 -5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.851 9.722 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.704 8.975 -6.353 1.00 0.00 H new ATOM 0 HH TYR A 91 10.890 8.718 -6.173 1.00 0.00 H new ATOM 1418 N THR A 92 6.310 10.098 0.447 1.00 0.00 N ATOM 1419 CA THR A 92 7.019 10.066 1.715 1.00 0.00 C ATOM 1420 C THR A 92 6.754 8.732 2.388 1.00 0.00 C ATOM 1421 O THR A 92 7.653 8.109 2.953 1.00 0.00 O ATOM 1422 CB THR A 92 6.550 11.200 2.619 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.554 12.435 1.926 1.00 0.00 O ATOM 1424 CG2 THR A 92 7.397 11.364 3.860 1.00 0.00 C ATOM 0 H THR A 92 5.653 10.872 0.347 1.00 0.00 H new ATOM 0 HA THR A 92 8.087 10.190 1.535 1.00 0.00 H new ATOM 0 HB THR A 92 5.540 10.926 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.248 13.147 2.525 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.009 12.188 4.459 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.367 10.445 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 92 8.426 11.578 3.572 1.00 0.00 H new ATOM 1432 N LEU A 93 5.503 8.293 2.291 1.00 0.00 N ATOM 1433 CA LEU A 93 5.092 7.021 2.857 1.00 0.00 C ATOM 1434 C LEU A 93 5.827 5.898 2.153 1.00 0.00 C ATOM 1435 O LEU A 93 6.284 4.944 2.782 1.00 0.00 O ATOM 1436 CB LEU A 93 3.580 6.836 2.721 1.00 0.00 C ATOM 1437 CG LEU A 93 2.957 5.819 3.679 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.440 5.898 3.621 1.00 0.00 C ATOM 1439 CD2 LEU A 93 3.433 4.412 3.348 1.00 0.00 C ATOM 0 H LEU A 93 4.756 8.805 1.822 1.00 0.00 H new ATOM 0 HA LEU A 93 5.340 7.005 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 93 3.097 7.801 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 93 3.358 6.530 1.698 1.00 0.00 H new ATOM 0 HG LEU A 93 3.277 6.058 4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.011 5.168 4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.117 6.899 3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 93 1.103 5.683 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.979 3.702 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 93 3.143 4.160 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.518 4.364 3.439 1.00 0.00 H new ATOM 1451 N LEU A 94 5.966 6.040 0.842 1.00 0.00 N ATOM 1452 CA LEU A 94 6.683 5.059 0.050 1.00 0.00 C ATOM 1453 C LEU A 94 8.127 4.980 0.529 1.00 0.00 C ATOM 1454 O LEU A 94 8.811 3.975 0.327 1.00 0.00 O ATOM 1455 CB LEU A 94 6.633 5.441 -1.436 1.00 0.00 C ATOM 1456 CG LEU A 94 7.954 5.926 -2.049 1.00 0.00 C ATOM 1457 CD1 LEU A 94 8.852 4.744 -2.386 1.00 0.00 C ATOM 1458 CD2 LEU A 94 7.694 6.769 -3.287 1.00 0.00 C ATOM 0 H LEU A 94 5.591 6.824 0.308 1.00 0.00 H new ATOM 0 HA LEU A 94 6.213 4.083 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.288 4.576 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.886 6.224 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 94 8.465 6.548 -1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.784 5.107 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.069 4.182 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.347 4.096 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.643 7.103 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.160 6.173 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.092 7.636 -3.017 1.00 0.00 H new ATOM 1470 N ASN A 95 8.579 6.053 1.172 1.00 0.00 N ATOM 1471 CA ASN A 95 9.941 6.116 1.681 1.00 0.00 C ATOM 1472 C ASN A 95 10.076 5.298 2.955 1.00 0.00 C ATOM 1473 O ASN A 95 10.852 4.344 3.016 1.00 0.00 O ATOM 1474 CB ASN A 95 10.342 7.569 1.941 1.00 0.00 C ATOM 1475 CG ASN A 95 11.683 7.918 1.327 1.00 0.00 C ATOM 1476 OD1 ASN A 95 12.734 7.666 1.914 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.652 8.506 0.135 1.00 0.00 N ATOM 0 H ASN A 95 8.021 6.888 1.352 1.00 0.00 H new ATOM 0 HA ASN A 95 10.609 5.695 0.929 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.577 8.232 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 95 10.381 7.745 3.016 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.523 8.766 -0.328 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.757 8.697 -0.316 1.00 0.00 H new ATOM 1484 N LYS A 96 9.312 5.679 3.969 1.00 0.00 N ATOM 1485 CA LYS A 96 9.339 4.982 5.244 1.00 0.00 C ATOM 1486 C LYS A 96 8.915 3.528 5.075 1.00 0.00 C ATOM 1487 O LYS A 96 9.482 2.633 5.700 1.00 0.00 O ATOM 1488 CB LYS A 96 8.423 5.683 6.249 1.00 0.00 C ATOM 1489 CG LYS A 96 9.077 5.925 7.600 1.00 0.00 C ATOM 1490 CD LYS A 96 10.044 7.096 7.548 1.00 0.00 C ATOM 1491 CE LYS A 96 9.415 8.364 8.100 1.00 0.00 C ATOM 1492 NZ LYS A 96 9.421 8.384 9.589 1.00 0.00 N ATOM 0 H LYS A 96 8.666 6.468 3.932 1.00 0.00 H new ATOM 0 HA LYS A 96 10.361 5.001 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.104 6.638 5.833 1.00 0.00 H new ATOM 0 HB3 LYS A 96 7.525 5.081 6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 96 8.308 6.119 8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.608 5.027 7.915 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.940 6.855 8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.359 7.264 6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 96 9.956 9.232 7.723 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.390 8.447 7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.983 9.265 9.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 8.883 7.570 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.401 8.331 9.933 1.00 0.00 H new ATOM 1506 N ILE A 97 7.909 3.298 4.233 1.00 0.00 N ATOM 1507 CA ILE A 97 7.403 1.960 3.995 1.00 0.00 C ATOM 1508 C ILE A 97 8.456 1.047 3.377 1.00 0.00 C ATOM 1509 O ILE A 97 8.796 0.019 3.949 1.00 0.00 O ATOM 1510 CB ILE A 97 6.138 2.007 3.117 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.292 0.770 3.338 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.453 2.170 1.637 1.00 0.00 C ATOM 1513 CD1 ILE A 97 4.065 0.752 2.469 1.00 0.00 C ATOM 0 H ILE A 97 7.431 4.028 3.705 1.00 0.00 H new ATOM 0 HA ILE A 97 7.142 1.536 4.965 1.00 0.00 H new ATOM 0 HB ILE A 97 5.577 2.890 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.891 -0.118 3.135 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.993 0.720 4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.524 2.197 1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 97 7.000 3.100 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.061 1.330 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.493 -0.155 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.450 1.624 2.690 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.362 0.774 1.420 1.00 0.00 H new ATOM 1525 N LEU A 98 8.975 1.418 2.214 1.00 0.00 N ATOM 1526 CA LEU A 98 9.988 0.606 1.553 1.00 0.00 C ATOM 1527 C LEU A 98 11.221 0.470 2.439 1.00 0.00 C ATOM 1528 O LEU A 98 11.909 -0.552 2.418 1.00 0.00 O ATOM 1529 CB LEU A 98 10.358 1.210 0.197 1.00 0.00 C ATOM 1530 CG LEU A 98 9.227 1.220 -0.836 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.778 1.488 -2.226 1.00 0.00 C ATOM 1532 CD2 LEU A 98 8.459 -0.097 -0.811 1.00 0.00 C ATOM 0 H LEU A 98 8.715 2.267 1.713 1.00 0.00 H new ATOM 0 HA LEU A 98 9.578 -0.389 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.697 2.234 0.352 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.201 0.654 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 98 8.536 2.022 -0.577 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.961 1.492 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.277 2.457 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 98 10.492 0.708 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.661 -0.067 -1.553 1.00 0.00 H new ATOM 0 HD22 LEU A 98 9.138 -0.918 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.029 -0.249 0.179 1.00 0.00 H new ATOM 1544 N ASP A 99 11.463 1.489 3.254 1.00 0.00 N ATOM 1545 CA ASP A 99 12.581 1.469 4.186 1.00 0.00 C ATOM 1546 C ASP A 99 12.217 0.576 5.358 1.00 0.00 C ATOM 1547 O ASP A 99 13.077 -0.022 6.005 1.00 0.00 O ATOM 1548 CB ASP A 99 12.904 2.883 4.674 1.00 0.00 C ATOM 1549 CG ASP A 99 14.324 3.005 5.193 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.262 2.668 4.439 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.498 3.436 6.351 1.00 0.00 O ATOM 0 H ASP A 99 10.900 2.339 3.288 1.00 0.00 H new ATOM 0 HA ASP A 99 13.467 1.080 3.685 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.757 3.589 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.206 3.160 5.464 1.00 0.00 H new ATOM 1556 N GLU A 100 10.915 0.487 5.602 1.00 0.00 N ATOM 1557 CA GLU A 100 10.375 -0.331 6.668 1.00 0.00 C ATOM 1558 C GLU A 100 10.420 -1.801 6.272 1.00 0.00 C ATOM 1559 O GLU A 100 10.943 -2.636 7.009 1.00 0.00 O ATOM 1560 CB GLU A 100 8.948 0.105 6.973 1.00 0.00 C ATOM 1561 CG GLU A 100 8.805 0.842 8.295 1.00 0.00 C ATOM 1562 CD GLU A 100 9.665 2.089 8.372 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.804 2.059 7.859 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.201 3.096 8.948 1.00 0.00 O ATOM 0 H GLU A 100 10.207 0.984 5.062 1.00 0.00 H new ATOM 0 HA GLU A 100 10.978 -0.202 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 100 8.594 0.749 6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.303 -0.774 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.760 1.118 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.074 0.170 9.110 1.00 0.00 H new ATOM 1571 N TYR A 101 9.897 -2.111 5.084 1.00 0.00 N ATOM 1572 CA TYR A 101 9.919 -3.477 4.590 1.00 0.00 C ATOM 1573 C TYR A 101 11.362 -3.947 4.473 1.00 0.00 C ATOM 1574 O TYR A 101 11.657 -5.131 4.607 1.00 0.00 O ATOM 1575 CB TYR A 101 9.227 -3.602 3.235 1.00 0.00 C ATOM 1576 CG TYR A 101 8.964 -5.043 2.861 1.00 0.00 C ATOM 1577 CD1 TYR A 101 9.908 -5.782 2.158 1.00 0.00 C ATOM 1578 CD2 TYR A 101 7.782 -5.673 3.232 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.681 -7.106 1.836 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.546 -6.996 2.910 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.500 -7.709 2.213 1.00 0.00 C ATOM 1582 OH TYR A 101 8.272 -9.028 1.895 1.00 0.00 O ATOM 0 H TYR A 101 9.458 -1.437 4.456 1.00 0.00 H new ATOM 0 HA TYR A 101 9.375 -4.101 5.299 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.284 -3.056 3.259 1.00 0.00 H new ATOM 0 HB3 TYR A 101 9.846 -3.136 2.468 1.00 0.00 H new ATOM 0 HD1 TYR A 101 10.834 -5.314 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.035 -5.119 3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.426 -7.667 1.291 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.620 -7.469 3.202 1.00 0.00 H new ATOM 0 HH TYR A 101 8.502 -9.594 2.661 1.00 0.00 H new ATOM 1592 N LEU A 102 12.257 -2.993 4.216 1.00 0.00 N ATOM 1593 CA LEU A 102 13.678 -3.281 4.075 1.00 0.00 C ATOM 1594 C LEU A 102 14.313 -3.618 5.422 1.00 0.00 C ATOM 1595 O LEU A 102 15.287 -4.367 5.487 1.00 0.00 O ATOM 1596 CB LEU A 102 14.391 -2.077 3.457 1.00 0.00 C ATOM 1597 CG LEU A 102 14.588 -2.139 1.942 1.00 0.00 C ATOM 1598 CD1 LEU A 102 13.316 -2.605 1.245 1.00 0.00 C ATOM 1599 CD2 LEU A 102 15.025 -0.781 1.411 1.00 0.00 C ATOM 0 H LEU A 102 12.017 -2.008 4.101 1.00 0.00 H new ATOM 0 HA LEU A 102 13.784 -4.148 3.423 1.00 0.00 H new ATOM 0 HB2 LEU A 102 13.823 -1.178 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.368 -1.972 3.930 1.00 0.00 H new ATOM 0 HG LEU A 102 15.372 -2.865 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 102 13.483 -2.640 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 102 13.048 -3.599 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.506 -1.910 1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.162 -0.839 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.261 -0.038 1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 102 15.965 -0.492 1.881 1.00 0.00 H new ATOM 1611 N VAL A 103 13.768 -3.054 6.496 1.00 0.00 N ATOM 1612 CA VAL A 103 14.300 -3.294 7.832 1.00 0.00 C ATOM 1613 C VAL A 103 13.967 -4.696 8.324 1.00 0.00 C ATOM 1614 O VAL A 103 14.847 -5.423 8.786 1.00 0.00 O ATOM 1615 CB VAL A 103 13.771 -2.272 8.855 1.00 0.00 C ATOM 1616 CG1 VAL A 103 13.918 -2.817 10.269 1.00 0.00 C ATOM 1617 CG2 VAL A 103 14.496 -0.943 8.707 1.00 0.00 C ATOM 0 H VAL A 103 12.962 -2.430 6.467 1.00 0.00 H new ATOM 0 HA VAL A 103 15.381 -3.186 7.749 1.00 0.00 H new ATOM 0 HB VAL A 103 12.712 -2.101 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 103 13.540 -2.085 10.982 1.00 0.00 H new ATOM 0 HG12 VAL A 103 13.349 -3.742 10.363 1.00 0.00 H new ATOM 0 HG13 VAL A 103 14.970 -3.015 10.475 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.108 -0.234 9.438 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.563 -1.090 8.874 1.00 0.00 H new ATOM 0 HG23 VAL A 103 14.337 -0.552 7.702 1.00 0.00 H new ATOM 1627 N ALA A 104 12.693 -5.070 8.227 1.00 0.00 N ATOM 1628 CA ALA A 104 12.244 -6.389 8.668 1.00 0.00 C ATOM 1629 C ALA A 104 13.205 -7.483 8.206 1.00 0.00 C ATOM 1630 O ALA A 104 13.263 -8.563 8.792 1.00 0.00 O ATOM 1631 CB ALA A 104 10.840 -6.662 8.155 1.00 0.00 C ATOM 0 H ALA A 104 11.954 -4.479 7.847 1.00 0.00 H new ATOM 0 HA ALA A 104 12.230 -6.397 9.758 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.516 -7.647 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.158 -5.905 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 104 10.838 -6.630 7.065 1.00 0.00 H new ATOM 1637 N HIS A 105 13.960 -7.186 7.153 1.00 0.00 N ATOM 1638 CA HIS A 105 14.923 -8.124 6.608 1.00 0.00 C ATOM 1639 C HIS A 105 15.851 -7.421 5.617 1.00 0.00 C ATOM 1640 O HIS A 105 15.389 -6.702 4.731 1.00 0.00 O ATOM 1641 CB HIS A 105 14.211 -9.294 5.920 1.00 0.00 C ATOM 1642 CG HIS A 105 12.925 -8.925 5.237 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.311 -7.728 5.077 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 12.115 -9.852 4.616 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.156 -7.954 4.370 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.061 -9.243 4.103 1.00 0.00 N flip ATOM 0 H HIS A 105 13.919 -6.294 6.660 1.00 0.00 H new ATOM 0 HA HIS A 105 15.519 -8.516 7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.886 -9.732 5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.005 -10.065 6.662 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.312 -10.912 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.441 -7.199 4.079 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.303 -9.692 3.589 1.00 0.00 H new ATOM 1655 N PRO A 106 17.178 -7.611 5.764 1.00 0.00 N ATOM 1656 CA PRO A 106 18.184 -6.993 4.897 1.00 0.00 C ATOM 1657 C PRO A 106 17.747 -6.860 3.440 1.00 0.00 C ATOM 1658 O PRO A 106 16.811 -7.520 2.989 1.00 0.00 O ATOM 1659 CB PRO A 106 19.360 -7.956 5.020 1.00 0.00 C ATOM 1660 CG PRO A 106 19.269 -8.487 6.413 1.00 0.00 C ATOM 1661 CD PRO A 106 17.811 -8.439 6.810 1.00 0.00 C ATOM 0 HA PRO A 106 18.398 -5.967 5.196 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.294 -8.758 4.285 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.309 -7.447 4.851 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.649 -9.508 6.462 1.00 0.00 H new ATOM 0 HG3 PRO A 106 19.874 -7.889 7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.375 -9.437 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 106 17.682 -7.999 7.799 1.00 0.00 H new ATOM 1669 N LYS A 107 18.436 -5.982 2.717 1.00 0.00 N ATOM 1670 CA LYS A 107 18.139 -5.716 1.313 1.00 0.00 C ATOM 1671 C LYS A 107 17.965 -6.998 0.496 1.00 0.00 C ATOM 1672 O LYS A 107 16.902 -7.243 -0.072 1.00 0.00 O ATOM 1673 CB LYS A 107 19.248 -4.859 0.698 1.00 0.00 C ATOM 1674 CG LYS A 107 18.907 -3.380 0.627 1.00 0.00 C ATOM 1675 CD LYS A 107 19.487 -2.615 1.806 1.00 0.00 C ATOM 1676 CE LYS A 107 19.142 -1.135 1.737 1.00 0.00 C ATOM 1677 NZ LYS A 107 18.233 -0.724 2.843 1.00 0.00 N ATOM 0 H LYS A 107 19.214 -5.436 3.087 1.00 0.00 H new ATOM 0 HA LYS A 107 17.190 -5.180 1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.159 -4.985 1.283 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.461 -5.223 -0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 107 19.291 -2.962 -0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 107 17.824 -3.256 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 107 19.105 -3.035 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.570 -2.736 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.058 -0.546 1.782 1.00 0.00 H new ATOM 0 HE3 LYS A 107 18.670 -0.917 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.821 0.206 2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 17.471 -1.425 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.771 -0.666 3.731 1.00 0.00 H new ATOM 1691 N GLU A 108 19.019 -7.796 0.416 1.00 0.00 N ATOM 1692 CA GLU A 108 18.981 -9.032 -0.359 1.00 0.00 C ATOM 1693 C GLU A 108 18.087 -10.088 0.284 1.00 0.00 C ATOM 1694 O GLU A 108 17.549 -10.953 -0.407 1.00 0.00 O ATOM 1695 CB GLU A 108 20.394 -9.588 -0.541 1.00 0.00 C ATOM 1696 CG GLU A 108 20.457 -10.812 -1.439 1.00 0.00 C ATOM 1697 CD GLU A 108 20.584 -10.454 -2.906 1.00 0.00 C ATOM 1698 OE1 GLU A 108 21.707 -10.127 -3.342 1.00 0.00 O ATOM 1699 OE2 GLU A 108 19.560 -10.500 -3.619 1.00 0.00 O ATOM 0 H GLU A 108 19.911 -7.613 0.876 1.00 0.00 H new ATOM 0 HA GLU A 108 18.556 -8.788 -1.333 1.00 0.00 H new ATOM 0 HB2 GLU A 108 21.031 -8.808 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 108 20.803 -9.844 0.436 1.00 0.00 H new ATOM 0 HG2 GLU A 108 21.305 -11.430 -1.145 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.559 -11.412 -1.292 1.00 0.00 H new ATOM 1706 N GLU A 109 17.936 -10.030 1.604 1.00 0.00 N ATOM 1707 CA GLU A 109 17.111 -11.005 2.314 1.00 0.00 C ATOM 1708 C GLU A 109 15.755 -11.191 1.639 1.00 0.00 C ATOM 1709 O GLU A 109 15.334 -12.320 1.381 1.00 0.00 O ATOM 1710 CB GLU A 109 16.910 -10.597 3.771 1.00 0.00 C ATOM 1711 CG GLU A 109 16.174 -11.650 4.580 1.00 0.00 C ATOM 1712 CD GLU A 109 16.532 -11.616 6.053 1.00 0.00 C ATOM 1713 OE1 GLU A 109 17.740 -11.604 6.370 1.00 0.00 O ATOM 1714 OE2 GLU A 109 15.605 -11.600 6.890 1.00 0.00 O ATOM 0 H GLU A 109 18.369 -9.325 2.200 1.00 0.00 H new ATOM 0 HA GLU A 109 17.644 -11.955 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.881 -10.407 4.228 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.352 -9.661 3.808 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.100 -11.502 4.468 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.403 -12.637 4.178 1.00 0.00 H new ATOM 1721 N TRP A 110 15.077 -10.087 1.340 1.00 0.00 N ATOM 1722 CA TRP A 110 13.779 -10.158 0.683 1.00 0.00 C ATOM 1723 C TRP A 110 13.965 -10.357 -0.812 1.00 0.00 C ATOM 1724 O TRP A 110 13.332 -11.216 -1.419 1.00 0.00 O ATOM 1725 CB TRP A 110 12.939 -8.898 0.944 1.00 0.00 C ATOM 1726 CG TRP A 110 13.726 -7.623 1.077 1.00 0.00 C ATOM 1727 CD1 TRP A 110 14.110 -7.021 2.240 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.206 -6.783 0.016 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.792 -5.861 1.969 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.866 -5.694 0.611 1.00 0.00 C ATOM 1731 CE3 TRP A 110 14.144 -6.846 -1.378 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.456 -4.679 -0.141 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.728 -5.841 -2.121 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.378 -4.770 -1.501 1.00 0.00 C ATOM 0 H TRP A 110 15.402 -9.141 1.541 1.00 0.00 H new ATOM 0 HA TRP A 110 13.241 -11.009 1.101 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.224 -8.782 0.130 1.00 0.00 H new ATOM 0 HB3 TRP A 110 12.362 -9.047 1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.907 -7.402 3.230 1.00 0.00 H new ATOM 0 HE1 TRP A 110 15.181 -5.226 2.666 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.646 -7.670 -1.867 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.957 -3.850 0.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.682 -5.882 -3.199 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.827 -3.999 -2.110 1.00 0.00 H new ATOM 1745 N ALA A 111 14.852 -9.554 -1.386 1.00 0.00 N ATOM 1746 CA ALA A 111 15.161 -9.605 -2.815 1.00 0.00 C ATOM 1747 C ALA A 111 13.953 -10.008 -3.662 1.00 0.00 C ATOM 1748 O ALA A 111 14.042 -10.908 -4.497 1.00 0.00 O ATOM 1749 CB ALA A 111 16.329 -10.548 -3.068 1.00 0.00 C ATOM 0 H ALA A 111 15.380 -8.846 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 111 15.439 -8.596 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.549 -10.577 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 111 17.206 -10.194 -2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 111 16.069 -11.549 -2.724 1.00 0.00 H new ATOM 1755 N ASP A 112 12.834 -9.321 -3.433 1.00 0.00 N ATOM 1756 CA ASP A 112 11.578 -9.560 -4.154 1.00 0.00 C ATOM 1757 C ASP A 112 10.679 -10.513 -3.389 1.00 0.00 C ATOM 1758 O ASP A 112 9.456 -10.376 -3.404 1.00 0.00 O ATOM 1759 CB ASP A 112 11.821 -10.085 -5.576 1.00 0.00 C ATOM 1760 CG ASP A 112 12.859 -9.272 -6.328 1.00 0.00 C ATOM 1761 OD1 ASP A 112 13.274 -8.214 -5.810 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.255 -9.695 -7.434 1.00 0.00 O ATOM 0 H ASP A 112 12.770 -8.577 -2.738 1.00 0.00 H new ATOM 0 HA ASP A 112 11.075 -8.596 -4.237 1.00 0.00 H new ATOM 0 HB2 ASP A 112 12.146 -11.124 -5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.882 -10.071 -6.130 1.00 0.00 H new ATOM 1767 N VAL A 113 11.288 -11.462 -2.701 1.00 0.00 N ATOM 1768 CA VAL A 113 10.547 -12.423 -1.907 1.00 0.00 C ATOM 1769 C VAL A 113 9.538 -13.180 -2.750 1.00 0.00 C ATOM 1770 O VAL A 113 8.509 -12.631 -3.148 1.00 0.00 O ATOM 1771 CB VAL A 113 9.795 -11.744 -0.743 1.00 0.00 C ATOM 1772 CG1 VAL A 113 9.903 -12.581 0.516 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.320 -10.342 -0.492 1.00 0.00 C ATOM 0 H VAL A 113 12.300 -11.587 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 113 11.285 -13.118 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 113 8.745 -11.664 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.367 -12.088 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 113 9.467 -13.564 0.338 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.952 -12.693 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.770 -9.890 0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 113 11.379 -10.390 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.188 -9.738 -1.390 1.00 0.00 H new ATOM 1783 N THR A 114 9.814 -14.450 -2.993 1.00 0.00 N ATOM 1784 CA THR A 114 8.901 -15.278 -3.756 1.00 0.00 C ATOM 1785 C THR A 114 7.721 -15.696 -2.880 1.00 0.00 C ATOM 1786 O THR A 114 6.866 -16.473 -3.303 1.00 0.00 O ATOM 1787 CB THR A 114 9.620 -16.514 -4.298 1.00 0.00 C ATOM 1788 OG1 THR A 114 10.588 -16.978 -3.374 1.00 0.00 O ATOM 1789 CG2 THR A 114 10.325 -16.267 -5.615 1.00 0.00 C ATOM 0 H THR A 114 10.658 -14.926 -2.675 1.00 0.00 H new ATOM 0 HA THR A 114 8.529 -14.699 -4.601 1.00 0.00 H new ATOM 0 HB THR A 114 8.837 -17.256 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 114 10.148 -17.513 -2.681 1.00 0.00 H new ATOM 0 HG21 THR A 114 10.814 -17.184 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.597 -15.956 -6.364 1.00 0.00 H new ATOM 0 HG23 THR A 114 11.072 -15.483 -5.487 1.00 0.00 H new ATOM 1797 N GLU A 115 7.685 -15.174 -1.649 1.00 0.00 N ATOM 1798 CA GLU A 115 6.622 -15.494 -0.713 1.00 0.00 C ATOM 1799 C GLU A 115 6.692 -14.601 0.519 1.00 0.00 C ATOM 1800 O GLU A 115 7.747 -14.466 1.141 1.00 0.00 O ATOM 1801 CB GLU A 115 6.725 -16.950 -0.291 1.00 0.00 C ATOM 1802 CG GLU A 115 8.134 -17.378 0.082 1.00 0.00 C ATOM 1803 CD GLU A 115 8.575 -18.634 -0.646 1.00 0.00 C ATOM 1804 OE1 GLU A 115 7.700 -19.442 -1.020 1.00 0.00 O ATOM 1805 OE2 GLU A 115 9.797 -18.809 -0.840 1.00 0.00 O ATOM 0 H GLU A 115 8.385 -14.528 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 115 5.668 -15.323 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.066 -17.120 0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.366 -17.581 -1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.828 -16.568 -0.145 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.185 -17.549 1.157 1.00 0.00 H new ATOM 1812 N THR A 116 5.568 -13.990 0.864 1.00 0.00 N ATOM 1813 CA THR A 116 5.503 -13.111 2.012 1.00 0.00 C ATOM 1814 C THR A 116 4.284 -13.421 2.875 1.00 0.00 C ATOM 1815 O THR A 116 3.401 -14.177 2.471 1.00 0.00 O ATOM 1816 CB THR A 116 5.448 -11.667 1.537 1.00 0.00 C ATOM 1817 OG1 THR A 116 6.349 -11.456 0.465 1.00 0.00 O ATOM 1818 CG2 THR A 116 5.787 -10.687 2.621 1.00 0.00 C ATOM 0 H THR A 116 4.687 -14.091 0.360 1.00 0.00 H new ATOM 0 HA THR A 116 6.394 -13.267 2.620 1.00 0.00 H new ATOM 0 HB THR A 116 4.419 -11.499 1.219 1.00 0.00 H new ATOM 0 HG1 THR A 116 6.898 -10.666 0.650 1.00 0.00 H new ATOM 0 HG21 THR A 116 5.732 -9.673 2.225 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.079 -10.795 3.443 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.797 -10.880 2.984 1.00 0.00 H new ATOM 1826 N ASN A 117 4.236 -12.820 4.059 1.00 0.00 N ATOM 1827 CA ASN A 117 3.123 -13.016 4.971 1.00 0.00 C ATOM 1828 C ASN A 117 2.325 -11.726 5.089 1.00 0.00 C ATOM 1829 O ASN A 117 2.320 -11.076 6.133 1.00 0.00 O ATOM 1830 CB ASN A 117 3.628 -13.455 6.347 1.00 0.00 C ATOM 1831 CG ASN A 117 3.566 -14.958 6.535 1.00 0.00 C ATOM 1832 OD1 ASN A 117 4.017 -15.721 5.680 1.00 0.00 O ATOM 1833 ND2 ASN A 117 3.003 -15.392 7.657 1.00 0.00 N ATOM 0 H ASN A 117 4.960 -12.191 4.407 1.00 0.00 H new ATOM 0 HA ASN A 117 2.478 -13.801 4.577 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.656 -13.118 6.478 1.00 0.00 H new ATOM 0 HB3 ASN A 117 3.033 -12.970 7.121 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.931 -16.393 7.837 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.642 -14.724 8.338 1.00 0.00 H new ATOM 1840 N ASP A 118 1.655 -11.359 4.000 1.00 0.00 N ATOM 1841 CA ASP A 118 0.851 -10.141 3.957 1.00 0.00 C ATOM 1842 C ASP A 118 -0.022 -9.997 5.199 1.00 0.00 C ATOM 1843 O ASP A 118 -0.443 -8.896 5.554 1.00 0.00 O ATOM 1844 CB ASP A 118 -0.027 -10.135 2.706 1.00 0.00 C ATOM 1845 CG ASP A 118 -0.867 -11.391 2.582 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -1.972 -11.424 3.162 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -0.419 -12.340 1.906 1.00 0.00 O ATOM 0 H ASP A 118 1.653 -11.892 3.130 1.00 0.00 H new ATOM 0 HA ASP A 118 1.537 -9.294 3.928 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -0.682 -9.264 2.730 1.00 0.00 H new ATOM 0 HB3 ASP A 118 0.604 -10.035 1.823 1.00 0.00 H new ATOM 1852 N ALA A 119 -0.287 -11.118 5.847 1.00 0.00 N ATOM 1853 CA ALA A 119 -1.108 -11.139 7.047 1.00 0.00 C ATOM 1854 C ALA A 119 -0.521 -10.251 8.139 1.00 0.00 C ATOM 1855 O ALA A 119 -1.258 -9.683 8.944 1.00 0.00 O ATOM 1856 CB ALA A 119 -1.264 -12.565 7.552 1.00 0.00 C ATOM 0 H ALA A 119 0.058 -12.034 5.559 1.00 0.00 H new ATOM 0 HA ALA A 119 -2.090 -10.744 6.788 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -1.881 -12.567 8.451 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -1.741 -13.173 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -0.282 -12.978 7.784 1.00 0.00 H new ATOM 1862 N LEU A 120 0.805 -10.131 8.167 1.00 0.00 N ATOM 1863 CA LEU A 120 1.460 -9.304 9.175 1.00 0.00 C ATOM 1864 C LEU A 120 2.970 -9.237 8.959 1.00 0.00 C ATOM 1865 O LEU A 120 3.750 -9.511 9.871 1.00 0.00 O ATOM 1866 CB LEU A 120 1.158 -9.841 10.577 1.00 0.00 C ATOM 1867 CG LEU A 120 1.370 -11.347 10.755 1.00 0.00 C ATOM 1868 CD1 LEU A 120 1.888 -11.651 12.152 1.00 0.00 C ATOM 1869 CD2 LEU A 120 0.076 -12.104 10.486 1.00 0.00 C ATOM 0 H LEU A 120 1.439 -10.590 7.512 1.00 0.00 H new ATOM 0 HA LEU A 120 1.063 -8.293 9.079 1.00 0.00 H new ATOM 0 HB2 LEU A 120 1.787 -9.314 11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.124 -9.604 10.825 1.00 0.00 H new ATOM 0 HG LEU A 120 2.117 -11.678 10.033 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.033 -12.726 12.260 1.00 0.00 H new ATOM 0 HD12 LEU A 120 2.838 -11.139 12.307 1.00 0.00 H new ATOM 0 HD13 LEU A 120 1.165 -11.306 12.891 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.246 -13.173 10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -0.692 -11.770 11.183 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -0.253 -11.912 9.465 1.00 0.00 H new ATOM 1881 N LYS A 121 3.379 -8.859 7.752 1.00 0.00 N ATOM 1882 CA LYS A 121 4.798 -8.744 7.431 1.00 0.00 C ATOM 1883 C LYS A 121 5.184 -7.284 7.210 1.00 0.00 C ATOM 1884 O LYS A 121 6.080 -6.980 6.422 1.00 0.00 O ATOM 1885 CB LYS A 121 5.136 -9.574 6.191 1.00 0.00 C ATOM 1886 CG LYS A 121 6.122 -10.699 6.467 1.00 0.00 C ATOM 1887 CD LYS A 121 7.526 -10.340 6.004 1.00 0.00 C ATOM 1888 CE LYS A 121 8.470 -10.155 7.181 1.00 0.00 C ATOM 1889 NZ LYS A 121 9.834 -9.748 6.741 1.00 0.00 N ATOM 0 H LYS A 121 2.751 -8.628 6.982 1.00 0.00 H new ATOM 0 HA LYS A 121 5.370 -9.129 8.275 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.217 -9.998 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 121 5.550 -8.918 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.135 -10.918 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.792 -11.606 5.960 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.907 -11.125 5.351 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.493 -9.423 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.066 -9.400 7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.533 -11.085 7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.541 -10.373 7.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 9.901 -9.821 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 10.014 -8.766 7.031 1.00 0.00 H new ATOM 1903 N MET A 122 4.500 -6.385 7.912 1.00 0.00 N ATOM 1904 CA MET A 122 4.766 -4.955 7.794 1.00 0.00 C ATOM 1905 C MET A 122 3.871 -4.156 8.743 1.00 0.00 C ATOM 1906 O MET A 122 3.247 -3.171 8.343 1.00 0.00 O ATOM 1907 CB MET A 122 4.554 -4.494 6.347 1.00 0.00 C ATOM 1908 CG MET A 122 5.774 -3.828 5.728 1.00 0.00 C ATOM 1909 SD MET A 122 6.386 -2.447 6.711 1.00 0.00 S ATOM 1910 CE MET A 122 6.649 -1.203 5.447 1.00 0.00 C ATOM 0 H MET A 122 3.757 -6.622 8.569 1.00 0.00 H new ATOM 0 HA MET A 122 5.804 -4.775 8.072 1.00 0.00 H new ATOM 0 HB2 MET A 122 4.274 -5.354 5.739 1.00 0.00 H new ATOM 0 HB3 MET A 122 3.717 -3.797 6.317 1.00 0.00 H new ATOM 0 HG2 MET A 122 6.567 -4.567 5.613 1.00 0.00 H new ATOM 0 HG3 MET A 122 5.522 -3.474 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.451 -0.215 5.862 1.00 0.00 H new ATOM 0 HE2 MET A 122 7.681 -1.250 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.975 -1.386 4.610 1.00 0.00 H new ATOM 1920 N LYS A 123 3.816 -4.584 10.005 1.00 0.00 N ATOM 1921 CA LYS A 123 3.000 -3.908 11.013 1.00 0.00 C ATOM 1922 C LYS A 123 3.183 -2.396 10.933 1.00 0.00 C ATOM 1923 O LYS A 123 2.256 -1.630 11.202 1.00 0.00 O ATOM 1924 CB LYS A 123 3.361 -4.405 12.414 1.00 0.00 C ATOM 1925 CG LYS A 123 4.858 -4.510 12.659 1.00 0.00 C ATOM 1926 CD LYS A 123 5.237 -5.863 13.240 1.00 0.00 C ATOM 1927 CE LYS A 123 4.538 -6.116 14.567 1.00 0.00 C ATOM 1928 NZ LYS A 123 5.310 -7.048 15.433 1.00 0.00 N ATOM 0 H LYS A 123 4.327 -5.395 10.353 1.00 0.00 H new ATOM 0 HA LYS A 123 1.954 -4.142 10.814 1.00 0.00 H new ATOM 0 HB2 LYS A 123 2.928 -3.730 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 123 2.907 -5.383 12.571 1.00 0.00 H new ATOM 0 HG2 LYS A 123 5.392 -4.353 11.722 1.00 0.00 H new ATOM 0 HG3 LYS A 123 5.172 -3.720 13.341 1.00 0.00 H new ATOM 0 HD2 LYS A 123 4.974 -6.650 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.317 -5.910 13.382 1.00 0.00 H new ATOM 0 HE2 LYS A 123 4.396 -5.169 15.089 1.00 0.00 H new ATOM 0 HE3 LYS A 123 3.547 -6.530 14.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 4.800 -7.194 16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 5.424 -7.960 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 6.247 -6.642 15.631 1.00 0.00 H new ATOM 1942 N GLN A 124 4.381 -1.976 10.545 1.00 0.00 N ATOM 1943 CA GLN A 124 4.690 -0.560 10.406 1.00 0.00 C ATOM 1944 C GLN A 124 3.791 0.072 9.357 1.00 0.00 C ATOM 1945 O GLN A 124 3.008 0.976 9.647 1.00 0.00 O ATOM 1946 CB GLN A 124 6.147 -0.382 9.996 1.00 0.00 C ATOM 1947 CG GLN A 124 7.093 -0.167 11.166 1.00 0.00 C ATOM 1948 CD GLN A 124 6.989 -1.260 12.211 1.00 0.00 C ATOM 1949 OE1 GLN A 124 7.056 -2.511 11.768 1.00 0.00 O flip ATOM 1950 NE2 GLN A 124 6.851 -0.984 13.403 1.00 0.00 N flip ATOM 0 H GLN A 124 5.157 -2.599 10.320 1.00 0.00 H new ATOM 0 HA GLN A 124 4.521 -0.072 11.366 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.468 -1.262 9.439 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.223 0.469 9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.117 -0.120 10.796 1.00 0.00 H new ATOM 0 HG3 GLN A 124 6.877 0.795 11.630 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.804 -0.009 13.699 1.00 0.00 H new ATOM 0 HE22 GLN A 124 6.783 -1.730 14.095 1.00 0.00 H new ATOM 1959 N LEU A 125 3.913 -0.429 8.136 1.00 0.00 N ATOM 1960 CA LEU A 125 3.122 0.052 7.016 1.00 0.00 C ATOM 1961 C LEU A 125 1.645 0.105 7.388 1.00 0.00 C ATOM 1962 O LEU A 125 0.891 0.933 6.875 1.00 0.00 O ATOM 1963 CB LEU A 125 3.344 -0.870 5.809 1.00 0.00 C ATOM 1964 CG LEU A 125 2.092 -1.261 5.020 1.00 0.00 C ATOM 1965 CD1 LEU A 125 2.466 -1.667 3.604 1.00 0.00 C ATOM 1966 CD2 LEU A 125 1.349 -2.389 5.726 1.00 0.00 C ATOM 0 H LEU A 125 4.562 -1.178 7.896 1.00 0.00 H new ATOM 0 HA LEU A 125 3.438 1.063 6.758 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.040 -0.381 5.127 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.828 -1.782 6.159 1.00 0.00 H new ATOM 0 HG LEU A 125 1.430 -0.397 4.966 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.566 -1.942 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.955 -0.832 3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 125 3.146 -2.519 3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 125 0.461 -2.655 5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.001 -3.258 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 125 1.052 -2.061 6.722 1.00 0.00 H new ATOM 1978 N ASP A 126 1.243 -0.787 8.284 1.00 0.00 N ATOM 1979 CA ASP A 126 -0.145 -0.843 8.724 1.00 0.00 C ATOM 1980 C ASP A 126 -0.488 0.366 9.587 1.00 0.00 C ATOM 1981 O ASP A 126 -1.500 1.033 9.368 1.00 0.00 O ATOM 1982 CB ASP A 126 -0.412 -2.133 9.502 1.00 0.00 C ATOM 1983 CG ASP A 126 -0.292 -3.370 8.632 1.00 0.00 C ATOM 1984 OD1 ASP A 126 0.850 -3.797 8.362 1.00 0.00 O ATOM 1985 OD2 ASP A 126 -1.340 -3.911 8.222 1.00 0.00 O ATOM 0 H ASP A 126 1.855 -1.478 8.718 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.779 -0.830 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.292 -2.206 10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -1.412 -2.092 9.935 1.00 0.00 H new ATOM 1990 N THR A 127 0.365 0.644 10.565 1.00 0.00 N ATOM 1991 CA THR A 127 0.162 1.774 11.463 1.00 0.00 C ATOM 1992 C THR A 127 0.257 3.096 10.707 1.00 0.00 C ATOM 1993 O THR A 127 -0.357 4.091 11.097 1.00 0.00 O ATOM 1994 CB THR A 127 1.192 1.743 12.593 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.512 0.409 12.943 1.00 0.00 O ATOM 1996 CG2 THR A 127 0.726 2.446 13.850 1.00 0.00 C ATOM 0 H THR A 127 1.207 0.101 10.757 1.00 0.00 H new ATOM 0 HA THR A 127 -0.838 1.693 11.889 1.00 0.00 H new ATOM 0 HB THR A 127 2.062 2.270 12.203 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.173 0.410 13.666 1.00 0.00 H new ATOM 0 HG21 THR A 127 1.505 2.386 14.610 1.00 0.00 H new ATOM 0 HG22 THR A 127 0.518 3.492 13.626 1.00 0.00 H new ATOM 0 HG23 THR A 127 -0.180 1.967 14.220 1.00 0.00 H new ATOM 2004 N TYR A 128 1.029 3.102 9.624 1.00 0.00 N ATOM 2005 CA TYR A 128 1.201 4.301 8.818 1.00 0.00 C ATOM 2006 C TYR A 128 -0.094 4.651 8.102 1.00 0.00 C ATOM 2007 O TYR A 128 -0.575 5.780 8.187 1.00 0.00 O ATOM 2008 CB TYR A 128 2.329 4.102 7.802 1.00 0.00 C ATOM 2009 CG TYR A 128 3.709 4.307 8.383 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.140 5.570 8.770 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.581 3.238 8.545 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.402 5.760 9.304 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.844 3.421 9.077 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.249 4.683 9.455 1.00 0.00 C ATOM 2015 OH TYR A 128 7.505 4.869 9.986 1.00 0.00 O ATOM 0 H TYR A 128 1.544 2.289 9.286 1.00 0.00 H new ATOM 0 HA TYR A 128 1.467 5.126 9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.263 3.095 7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.186 4.795 6.973 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.480 6.416 8.652 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.267 2.247 8.251 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.722 6.748 9.601 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.510 2.579 9.196 1.00 0.00 H new ATOM 0 HH TYR A 128 8.079 4.114 9.740 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.657 3.673 7.406 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.897 3.871 6.682 1.00 0.00 C ATOM 2027 C ILE A 129 -3.044 4.189 7.635 1.00 0.00 C ATOM 2028 O ILE A 129 -3.988 4.891 7.273 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.249 2.621 5.862 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.530 2.876 5.060 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.388 1.410 6.774 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.754 2.223 5.647 1.00 0.00 C ATOM 0 H ILE A 129 -0.270 2.732 7.330 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.753 4.716 6.009 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.444 2.408 5.159 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.699 3.951 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.389 2.513 4.042 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.638 0.532 6.178 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.447 1.238 7.297 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.179 1.591 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.620 2.448 5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.607 1.144 5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.922 2.604 6.654 1.00 0.00 H new ATOM 2044 N SER A 130 -2.957 3.667 8.854 1.00 0.00 N ATOM 2045 CA SER A 130 -3.990 3.893 9.857 1.00 0.00 C ATOM 2046 C SER A 130 -4.025 5.356 10.281 1.00 0.00 C ATOM 2047 O SER A 130 -5.093 5.954 10.390 1.00 0.00 O ATOM 2048 CB SER A 130 -3.751 3.000 11.074 1.00 0.00 C ATOM 2049 OG SER A 130 -4.734 3.223 12.070 1.00 0.00 O ATOM 0 H SER A 130 -2.182 3.085 9.171 1.00 0.00 H new ATOM 0 HA SER A 130 -4.954 3.640 9.415 1.00 0.00 H new ATOM 0 HB2 SER A 130 -3.767 1.953 10.770 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.761 3.197 11.485 1.00 0.00 H new ATOM 0 HG SER A 130 -4.560 2.639 12.838 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.851 5.926 10.519 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.753 7.323 10.929 1.00 0.00 C ATOM 2057 C LYS A 131 -2.788 8.255 9.719 1.00 0.00 C ATOM 2058 O LYS A 131 -3.250 9.389 9.812 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.470 7.553 11.730 1.00 0.00 C ATOM 2060 CG LYS A 131 -0.199 7.299 10.935 1.00 0.00 C ATOM 2061 CD LYS A 131 0.177 8.500 10.080 1.00 0.00 C ATOM 2062 CE LYS A 131 1.558 9.030 10.435 1.00 0.00 C ATOM 2063 NZ LYS A 131 2.584 8.634 9.430 1.00 0.00 N ATOM 0 H LYS A 131 -1.955 5.445 10.436 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.613 7.549 11.560 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -1.460 8.580 12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.477 6.903 12.605 1.00 0.00 H new ATOM 0 HG2 LYS A 131 0.618 7.068 11.618 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -0.337 6.426 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 131 0.154 8.219 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -0.562 9.289 10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 131 1.522 10.117 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 131 1.849 8.655 11.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 3.220 7.923 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 2.114 8.233 8.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 3.136 9.470 9.149 1.00 0.00 H new ATOM 2077 N TYR A 132 -2.289 7.769 8.587 1.00 0.00 N ATOM 2078 CA TYR A 132 -2.252 8.563 7.360 1.00 0.00 C ATOM 2079 C TYR A 132 -3.646 8.962 6.883 1.00 0.00 C ATOM 2080 O TYR A 132 -3.781 9.818 6.010 1.00 0.00 O ATOM 2081 CB TYR A 132 -1.504 7.814 6.256 1.00 0.00 C ATOM 2082 CG TYR A 132 -0.071 8.271 6.098 1.00 0.00 C ATOM 2083 CD1 TYR A 132 0.222 9.589 5.767 1.00 0.00 C ATOM 2084 CD2 TYR A 132 0.989 7.393 6.290 1.00 0.00 C ATOM 2085 CE1 TYR A 132 1.528 10.017 5.627 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.298 7.815 6.153 1.00 0.00 C ATOM 2087 CZ TYR A 132 2.562 9.127 5.822 1.00 0.00 C ATOM 2088 OH TYR A 132 3.864 9.549 5.687 1.00 0.00 O ATOM 0 H TYR A 132 -1.904 6.829 8.492 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.716 9.483 7.593 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -1.517 6.746 6.476 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -2.030 7.951 5.311 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -0.585 10.290 5.617 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.787 6.365 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 132 1.738 11.044 5.366 1.00 0.00 H new ATOM 0 HE2 TYR A 132 3.111 7.120 6.305 1.00 0.00 H new ATOM 0 HH TYR A 132 4.471 8.799 5.859 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.678 8.346 7.446 1.00 0.00 N ATOM 2099 CA GLN A 133 -6.049 8.654 7.057 1.00 0.00 C ATOM 2100 C GLN A 133 -6.476 10.042 7.540 1.00 0.00 C ATOM 2101 O GLN A 133 -7.482 10.191 8.233 1.00 0.00 O ATOM 2102 CB GLN A 133 -7.002 7.591 7.601 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.953 7.438 9.110 1.00 0.00 C ATOM 2104 CD GLN A 133 -8.125 8.103 9.805 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -9.164 8.353 9.194 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -7.964 8.394 11.091 1.00 0.00 N ATOM 0 H GLN A 133 -4.593 7.633 8.170 1.00 0.00 H new ATOM 0 HA GLN A 133 -6.093 8.654 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -8.020 7.843 7.304 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.763 6.632 7.140 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -6.940 6.378 9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.023 7.867 9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -7.086 8.169 11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -8.719 8.842 11.611 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.713 11.059 7.147 1.00 0.00 N ATOM 2116 CA ASP A 134 -6.009 12.444 7.513 1.00 0.00 C ATOM 2117 C ASP A 134 -5.682 12.736 8.979 1.00 0.00 C ATOM 2118 O ASP A 134 -6.549 13.165 9.742 1.00 0.00 O ATOM 2119 CB ASP A 134 -7.481 12.767 7.233 1.00 0.00 C ATOM 2120 CG ASP A 134 -7.674 14.176 6.708 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -6.968 14.553 5.748 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -8.530 14.902 7.255 1.00 0.00 O ATOM 0 H ASP A 134 -4.879 10.949 6.571 1.00 0.00 H new ATOM 0 HA ASP A 134 -5.373 13.081 6.899 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -7.875 12.055 6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -8.058 12.641 8.149 1.00 0.00 H new ATOM 2127 N PRO A 135 -4.421 12.522 9.392 1.00 0.00 N ATOM 2128 CA PRO A 135 -3.988 12.779 10.762 1.00 0.00 C ATOM 2129 C PRO A 135 -3.648 14.248 10.991 1.00 0.00 C ATOM 2130 O PRO A 135 -4.047 14.843 11.992 1.00 0.00 O ATOM 2131 CB PRO A 135 -2.740 11.919 10.896 1.00 0.00 C ATOM 2132 CG PRO A 135 -2.167 11.871 9.521 1.00 0.00 C ATOM 2133 CD PRO A 135 -3.317 12.023 8.555 1.00 0.00 C ATOM 0 HA PRO A 135 -4.765 12.548 11.491 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -2.034 12.352 11.605 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -2.984 10.921 11.259 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -1.437 12.668 9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -1.646 10.929 9.354 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -3.076 12.722 7.754 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -3.571 11.073 8.084 1.00 0.00 H new ATOM 2141 N SER A 136 -2.905 14.823 10.051 1.00 0.00 N ATOM 2142 CA SER A 136 -2.500 16.221 10.135 1.00 0.00 C ATOM 2143 C SER A 136 -2.075 16.739 8.765 1.00 0.00 C ATOM 2144 O SER A 136 -1.245 17.643 8.664 1.00 0.00 O ATOM 2145 CB SER A 136 -1.348 16.378 11.128 1.00 0.00 C ATOM 2146 OG SER A 136 -1.825 16.737 12.413 1.00 0.00 O ATOM 0 H SER A 136 -2.570 14.339 9.218 1.00 0.00 H new ATOM 0 HA SER A 136 -3.353 16.805 10.481 1.00 0.00 H new ATOM 0 HB2 SER A 136 -0.790 15.444 11.192 1.00 0.00 H new ATOM 0 HB3 SER A 136 -0.656 17.139 10.768 1.00 0.00 H new ATOM 0 HG SER A 136 -2.644 16.237 12.609 1.00 0.00 H new ATOM 2152 N GLN A 137 -2.642 16.157 7.712 1.00 0.00 N ATOM 2153 CA GLN A 137 -2.313 16.555 6.347 1.00 0.00 C ATOM 2154 C GLN A 137 -0.804 16.499 6.114 1.00 0.00 C ATOM 2155 O GLN A 137 -0.272 17.192 5.248 1.00 0.00 O ATOM 2156 CB GLN A 137 -2.840 17.964 6.063 1.00 0.00 C ATOM 2157 CG GLN A 137 -4.004 17.989 5.087 1.00 0.00 C ATOM 2158 CD GLN A 137 -3.597 17.581 3.685 1.00 0.00 C ATOM 2159 OE1 GLN A 137 -2.417 17.370 3.406 1.00 0.00 O ATOM 2160 NE2 GLN A 137 -4.574 17.467 2.793 1.00 0.00 N ATOM 0 H GLN A 137 -3.331 15.408 7.778 1.00 0.00 H new ATOM 0 HA GLN A 137 -2.792 15.855 5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -3.153 18.423 7.001 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -2.029 18.574 5.665 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -4.787 17.320 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -4.430 18.992 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -5.539 17.651 3.067 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -4.359 17.195 1.834 1.00 0.00 H new ATOM 2169 N ALA A 138 -0.121 15.666 6.898 1.00 0.00 N ATOM 2170 CA ALA A 138 1.326 15.511 6.786 1.00 0.00 C ATOM 2171 C ALA A 138 2.032 16.864 6.775 1.00 0.00 C ATOM 2172 O ALA A 138 2.954 17.088 5.990 1.00 0.00 O ATOM 2173 CB ALA A 138 1.676 14.718 5.536 1.00 0.00 C ATOM 0 H ALA A 138 -0.550 15.087 7.620 1.00 0.00 H new ATOM 0 HA ALA A 138 1.674 14.962 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.758 14.610 5.465 1.00 0.00 H new ATOM 0 HB2 ALA A 138 1.216 13.732 5.590 1.00 0.00 H new ATOM 0 HB3 ALA A 138 1.305 15.244 4.656 1.00 0.00 H new ATOM 2179 N ASP A 139 1.595 17.762 7.651 1.00 0.00 N ATOM 2180 CA ASP A 139 2.189 19.091 7.743 1.00 0.00 C ATOM 2181 C ASP A 139 2.053 19.840 6.420 1.00 0.00 C ATOM 2182 O ASP A 139 2.911 20.645 6.061 1.00 0.00 O ATOM 2183 CB ASP A 139 3.664 18.986 8.138 1.00 0.00 C ATOM 2184 CG ASP A 139 3.970 19.719 9.429 1.00 0.00 C ATOM 2185 OD1 ASP A 139 3.115 19.704 10.338 1.00 0.00 O ATOM 2186 OD2 ASP A 139 5.067 20.308 9.531 1.00 0.00 O ATOM 0 H ASP A 139 0.832 17.594 8.307 1.00 0.00 H new ATOM 0 HA ASP A 139 1.655 19.650 8.511 1.00 0.00 H new ATOM 0 HB2 ASP A 139 3.934 17.936 8.247 1.00 0.00 H new ATOM 0 HB3 ASP A 139 4.282 19.393 7.337 1.00 0.00 H new ATOM 2191 N ALA A 140 0.969 19.569 5.700 1.00 0.00 N ATOM 2192 CA ALA A 140 0.722 20.218 4.418 1.00 0.00 C ATOM 2193 C ALA A 140 -0.031 21.531 4.603 1.00 0.00 C ATOM 2194 O ALA A 140 0.018 22.088 5.720 1.00 0.00 O ATOM 2195 CB ALA A 140 -0.052 19.288 3.496 1.00 0.00 C ATOM 2196 OXT ALA A 140 -0.663 21.992 3.630 1.00 0.00 O ATOM 0 H ALA A 140 0.248 18.905 5.983 1.00 0.00 H new ATOM 0 HA ALA A 140 1.686 20.444 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -0.229 19.786 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 140 0.525 18.378 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -1.007 19.033 3.955 1.00 0.00 H new TER 2202 ALA A 140