USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 901 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 22 LYS NZ :NH3+ -154:sc= 0.444 (180deg=-0.0208) USER MOD Set 1.2: A 99 GLN : amide:sc= -0.0678 K(o=0.38,f=-4.7!) USER MOD Set 2.1: A 79 CYS SG : rot -147:sc= 0.242 USER MOD Set 2.2: A 83 ASN : amide:sc= 0.165 X(o=0.41,f=0.42) USER MOD Set 3.1: A 56 ASN : amide:sc= 0.0919 K(o=-0.21,f=-1.2) USER MOD Set 3.2: A 62 TYR OH : rot -15:sc= -0.302 USER MOD Set 4.1: A 20 GLN : amide:sc= 0.836 K(o=1.4,f=0.52!) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0.609 USER MOD Set 5.1: A 14 LYS NZ :NH3+ -149:sc= -0.143 (180deg=0) USER MOD Set 5.2: A 18 GLN : amide:sc= -0.117 K(o=-5.9,f=-4.5) USER MOD Set 5.3: A 106 GLN : amide:sc= -5.64! C(o=-5.9!,f=-5!) USER MOD Set 5.4: A 110 GLN : amide:sc= -0.0114 K(o=-5.9,f=-5.1) USER MOD Single : A 6 SER OG : rot 20:sc= 0.424 USER MOD Single : A 15 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.681 K(o=-0.68,f=-2.8!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.921 K(o=-0.92,f=-0.18) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 164:sc= -0.0709 (180deg=-0.539) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -153:sc= -2.22! (180deg=-2.87) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.484 X(o=-0.48,f=-0.072) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.39 K(o=-2.4,f=-3.8!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 15:sc= -0.488 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -68:sc= 0.272 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 162:sc= -0.938 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.415 20.215 2.318 1.00 0.00 N ATOM 49 CA SER A 6 -0.127 19.285 3.404 1.00 0.00 C ATOM 50 C SER A 6 -1.312 18.357 3.653 1.00 0.00 C ATOM 51 O SER A 6 -1.153 17.141 3.752 1.00 0.00 O ATOM 52 CB SER A 6 0.212 20.051 4.684 1.00 0.00 C ATOM 53 OG SER A 6 0.954 21.223 4.394 1.00 0.00 O ATOM 0 HA SER A 6 0.732 18.680 3.113 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.707 20.318 5.206 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.785 19.410 5.354 1.00 0.00 H new ATOM 0 HG SER A 6 0.831 21.463 3.452 1.00 0.00 H new ATOM 59 N GLY A 7 -2.503 18.940 3.752 1.00 0.00 N ATOM 60 CA GLY A 7 -3.699 18.151 3.989 1.00 0.00 C ATOM 61 C GLY A 7 -3.658 16.811 3.281 1.00 0.00 C ATOM 62 O GLY A 7 -3.936 15.774 3.884 1.00 0.00 O ATOM 0 H GLY A 7 -2.661 19.944 3.672 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.818 17.989 5.060 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.572 18.710 3.652 1.00 0.00 H new ATOM 66 N PHE A 8 -3.313 16.832 1.999 1.00 0.00 N ATOM 67 CA PHE A 8 -3.240 15.608 1.207 1.00 0.00 C ATOM 68 C PHE A 8 -2.287 14.603 1.846 1.00 0.00 C ATOM 69 O PHE A 8 -2.575 13.407 1.902 1.00 0.00 O ATOM 70 CB PHE A 8 -2.784 15.925 -0.219 1.00 0.00 C ATOM 71 CG PHE A 8 -2.528 14.702 -1.052 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.568 13.859 -1.406 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.246 14.396 -1.481 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.335 12.732 -2.172 1.00 0.00 C ATOM 75 CE2 PHE A 8 -1.007 13.271 -2.246 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.053 12.437 -2.594 1.00 0.00 C ATOM 0 H PHE A 8 -3.079 17.682 1.485 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.236 15.167 1.173 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.544 16.535 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.874 16.523 -0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.573 14.085 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.425 15.045 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.155 12.082 -2.440 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -0.003 13.043 -2.572 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.869 11.558 -3.194 1.00 0.00 H new ATOM 86 N LEU A 9 -1.151 15.096 2.326 1.00 0.00 N ATOM 87 CA LEU A 9 -0.154 14.242 2.962 1.00 0.00 C ATOM 88 C LEU A 9 -0.759 13.476 4.134 1.00 0.00 C ATOM 89 O LEU A 9 -0.450 12.304 4.348 1.00 0.00 O ATOM 90 CB LEU A 9 1.031 15.080 3.444 1.00 0.00 C ATOM 91 CG LEU A 9 1.596 16.086 2.439 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.867 16.724 2.979 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.861 15.411 1.101 1.00 0.00 C ATOM 0 H LEU A 9 -0.897 16.083 2.287 1.00 0.00 H new ATOM 0 HA LEU A 9 0.195 13.521 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.726 15.623 4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.833 14.403 3.740 1.00 0.00 H new ATOM 0 HG LEU A 9 0.857 16.873 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.254 17.436 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.646 17.243 3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.613 15.951 3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.262 16.141 0.398 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.581 14.604 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.929 15.004 0.708 1.00 0.00 H new ATOM 105 N ILE A 10 -1.626 14.146 4.886 1.00 0.00 N ATOM 106 CA ILE A 10 -2.278 13.527 6.034 1.00 0.00 C ATOM 107 C ILE A 10 -3.222 12.412 5.595 1.00 0.00 C ATOM 108 O ILE A 10 -3.339 11.384 6.263 1.00 0.00 O ATOM 109 CB ILE A 10 -3.070 14.561 6.856 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.114 15.510 7.580 1.00 0.00 C ATOM 111 CG2 ILE A 10 -3.983 13.859 7.851 1.00 0.00 C ATOM 112 CD1 ILE A 10 -1.627 16.653 6.716 1.00 0.00 C ATOM 0 H ILE A 10 -1.893 15.117 4.721 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.488 13.107 6.657 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.688 15.148 6.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.615 15.917 8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.254 14.944 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.536 14.603 8.425 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.684 13.220 7.314 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.384 13.251 8.528 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.953 17.285 7.295 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.097 16.255 5.851 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.479 17.244 6.380 1.00 0.00 H new ATOM 124 N LEU A 11 -3.891 12.621 4.467 1.00 0.00 N ATOM 125 CA LEU A 11 -4.824 11.633 3.936 1.00 0.00 C ATOM 126 C LEU A 11 -4.123 10.301 3.688 1.00 0.00 C ATOM 127 O LEU A 11 -4.717 9.234 3.851 1.00 0.00 O ATOM 128 CB LEU A 11 -5.453 12.142 2.637 1.00 0.00 C ATOM 129 CG LEU A 11 -6.379 11.165 1.913 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.596 10.849 2.769 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.804 11.732 0.566 1.00 0.00 C ATOM 0 H LEU A 11 -3.805 13.466 3.902 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.610 11.477 4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.016 13.048 2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.651 12.425 1.955 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.833 10.238 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.244 10.152 2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.273 10.400 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.144 11.768 2.976 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.463 11.023 0.064 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.332 12.673 0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.922 11.906 -0.050 1.00 0.00 H new ATOM 143 N LEU A 12 -2.856 10.370 3.294 1.00 0.00 N ATOM 144 CA LEU A 12 -2.073 9.169 3.025 1.00 0.00 C ATOM 145 C LEU A 12 -1.626 8.509 4.324 1.00 0.00 C ATOM 146 O LEU A 12 -1.737 7.292 4.484 1.00 0.00 O ATOM 147 CB LEU A 12 -0.852 9.514 2.169 1.00 0.00 C ATOM 148 CG LEU A 12 -1.115 9.717 0.677 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.400 10.501 0.462 1.00 0.00 C ATOM 150 CD2 LEU A 12 0.060 10.427 0.019 1.00 0.00 C ATOM 0 H LEU A 12 -2.349 11.244 3.154 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.705 8.467 2.481 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.401 10.424 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.117 8.718 2.283 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.229 8.737 0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.570 10.635 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.237 9.954 0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.316 11.476 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.145 10.563 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.206 11.400 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.962 9.827 0.140 1.00 0.00 H new ATOM 162 N ARG A 13 -1.122 9.317 5.251 1.00 0.00 N ATOM 163 CA ARG A 13 -0.660 8.810 6.537 1.00 0.00 C ATOM 164 C ARG A 13 -1.802 8.149 7.304 1.00 0.00 C ATOM 165 O ARG A 13 -1.618 7.110 7.938 1.00 0.00 O ATOM 166 CB ARG A 13 -0.062 9.945 7.371 1.00 0.00 C ATOM 167 CG ARG A 13 1.100 10.653 6.693 1.00 0.00 C ATOM 168 CD ARG A 13 1.701 11.722 7.592 1.00 0.00 C ATOM 169 NE ARG A 13 2.707 11.174 8.496 1.00 0.00 N ATOM 170 CZ ARG A 13 3.484 11.922 9.273 1.00 0.00 C ATOM 171 NH1 ARG A 13 3.368 13.243 9.256 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.377 11.350 10.070 1.00 0.00 N ATOM 0 H ARG A 13 -1.023 10.326 5.135 1.00 0.00 H new ATOM 0 HA ARG A 13 0.109 8.061 6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.842 10.674 7.590 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.276 9.543 8.326 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.867 9.925 6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.758 11.108 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.152 12.501 6.977 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.909 12.194 8.174 1.00 0.00 H new ATOM 0 HE ARG A 13 2.820 10.161 8.534 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.682 13.687 8.646 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.965 13.815 9.853 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.468 10.334 10.087 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.972 11.926 10.665 1.00 0.00 H new ATOM 186 N LYS A 14 -2.980 8.758 7.241 1.00 0.00 N ATOM 187 CA LYS A 14 -4.154 8.229 7.927 1.00 0.00 C ATOM 188 C LYS A 14 -4.713 7.015 7.191 1.00 0.00 C ATOM 189 O LYS A 14 -5.196 6.068 7.813 1.00 0.00 O ATOM 190 CB LYS A 14 -5.232 9.308 8.043 1.00 0.00 C ATOM 191 CG LYS A 14 -6.108 9.429 6.808 1.00 0.00 C ATOM 192 CD LYS A 14 -7.312 8.506 6.886 1.00 0.00 C ATOM 193 CE LYS A 14 -8.473 9.165 7.616 1.00 0.00 C ATOM 194 NZ LYS A 14 -9.789 8.674 7.122 1.00 0.00 N ATOM 0 H LYS A 14 -3.148 9.619 6.721 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.850 7.919 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.862 9.089 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.754 10.269 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.445 10.460 6.700 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.522 9.190 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.624 8.228 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.034 7.585 7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.389 8.967 8.685 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.417 10.246 7.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.497 9.431 7.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.702 8.393 6.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.089 7.855 7.688 1.00 0.00 H new ATOM 208 N THR A 15 -4.641 7.048 5.864 1.00 0.00 N ATOM 209 CA THR A 15 -5.139 5.950 5.045 1.00 0.00 C ATOM 210 C THR A 15 -4.271 4.707 5.204 1.00 0.00 C ATOM 211 O THR A 15 -4.780 3.602 5.393 1.00 0.00 O ATOM 212 CB THR A 15 -5.190 6.339 3.556 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.212 7.320 3.341 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.462 5.120 2.687 1.00 0.00 C ATOM 0 H THR A 15 -4.243 7.823 5.334 1.00 0.00 H new ATOM 0 HA THR A 15 -6.149 5.731 5.391 1.00 0.00 H new ATOM 0 HB THR A 15 -4.221 6.755 3.279 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.802 8.206 3.256 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.494 5.420 1.639 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.669 4.386 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.419 4.680 2.967 1.00 0.00 H new ATOM 222 N LEU A 16 -2.959 4.895 5.127 1.00 0.00 N ATOM 223 CA LEU A 16 -2.018 3.788 5.262 1.00 0.00 C ATOM 224 C LEU A 16 -2.375 2.913 6.461 1.00 0.00 C ATOM 225 O LEU A 16 -2.359 1.686 6.372 1.00 0.00 O ATOM 226 CB LEU A 16 -0.592 4.320 5.413 1.00 0.00 C ATOM 227 CG LEU A 16 0.490 3.273 5.686 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.552 2.261 4.552 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.842 3.943 5.881 1.00 0.00 C ATOM 0 H LEU A 16 -2.522 5.803 4.972 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.079 3.180 4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.328 4.857 4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.581 5.046 6.226 1.00 0.00 H new ATOM 0 HG LEU A 16 0.234 2.743 6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.327 1.524 4.764 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.411 1.758 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.784 2.774 3.619 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.600 3.184 6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.106 4.498 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.790 4.627 6.728 1.00 0.00 H new ATOM 241 N GLU A 17 -2.700 3.555 7.579 1.00 0.00 N ATOM 242 CA GLU A 17 -3.064 2.836 8.793 1.00 0.00 C ATOM 243 C GLU A 17 -4.349 2.039 8.591 1.00 0.00 C ATOM 244 O GLU A 17 -4.374 0.823 8.778 1.00 0.00 O ATOM 245 CB GLU A 17 -3.234 3.811 9.960 1.00 0.00 C ATOM 246 CG GLU A 17 -1.971 4.587 10.293 1.00 0.00 C ATOM 247 CD GLU A 17 -1.932 5.043 11.739 1.00 0.00 C ATOM 248 OE1 GLU A 17 -3.012 5.294 12.313 1.00 0.00 O ATOM 249 OE2 GLU A 17 -0.819 5.150 12.296 1.00 0.00 O ATOM 0 H GLU A 17 -2.718 4.571 7.668 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.258 2.140 9.025 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.031 4.515 9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.553 3.256 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.101 3.963 10.089 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.900 5.456 9.639 1.00 0.00 H new ATOM 256 N GLN A 18 -5.415 2.734 8.207 1.00 0.00 N ATOM 257 CA GLN A 18 -6.704 2.093 7.980 1.00 0.00 C ATOM 258 C GLN A 18 -6.530 0.764 7.253 1.00 0.00 C ATOM 259 O GLN A 18 -7.291 -0.181 7.473 1.00 0.00 O ATOM 260 CB GLN A 18 -7.621 3.013 7.172 1.00 0.00 C ATOM 261 CG GLN A 18 -7.969 4.308 7.890 1.00 0.00 C ATOM 262 CD GLN A 18 -9.277 4.906 7.411 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.350 4.555 7.903 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.194 5.816 6.447 1.00 0.00 N ATOM 0 H GLN A 18 -5.411 3.741 8.047 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.160 1.899 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.139 3.251 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.542 2.479 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.031 4.120 8.962 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.167 5.030 7.739 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.283 6.077 6.069 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.041 6.254 6.085 1.00 0.00 H new ATOM 273 N LEU A 19 -5.526 0.697 6.385 1.00 0.00 N ATOM 274 CA LEU A 19 -5.252 -0.518 5.625 1.00 0.00 C ATOM 275 C LEU A 19 -4.595 -1.575 6.506 1.00 0.00 C ATOM 276 O LEU A 19 -4.937 -2.755 6.435 1.00 0.00 O ATOM 277 CB LEU A 19 -4.353 -0.202 4.429 1.00 0.00 C ATOM 278 CG LEU A 19 -4.914 0.790 3.410 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.800 1.344 2.535 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.985 0.127 2.556 1.00 0.00 C ATOM 0 H LEU A 19 -4.889 1.469 6.190 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.201 -0.913 5.263 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.408 0.189 4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.129 -1.135 3.912 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.369 1.619 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.218 2.048 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.067 1.855 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.315 0.526 2.002 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.374 0.847 1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.553 -0.721 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.796 -0.221 3.195 1.00 0.00 H new ATOM 292 N GLN A 20 -3.651 -1.143 7.336 1.00 0.00 N ATOM 293 CA GLN A 20 -2.947 -2.054 8.232 1.00 0.00 C ATOM 294 C GLN A 20 -3.931 -2.825 9.106 1.00 0.00 C ATOM 295 O GLN A 20 -3.814 -4.041 9.263 1.00 0.00 O ATOM 296 CB GLN A 20 -1.965 -1.279 9.112 1.00 0.00 C ATOM 297 CG GLN A 20 -0.613 -1.048 8.457 1.00 0.00 C ATOM 298 CD GLN A 20 0.347 -2.201 8.678 1.00 0.00 C ATOM 299 OE1 GLN A 20 -0.013 -3.365 8.500 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.575 -1.882 9.069 1.00 0.00 N ATOM 0 H GLN A 20 -3.356 -0.169 7.407 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.393 -2.768 7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.404 -0.315 9.370 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.819 -1.823 10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.753 -0.897 7.387 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.173 -0.133 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.829 -0.903 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.264 -2.615 9.234 1.00 0.00 H new ATOM 309 N GLU A 21 -4.899 -2.112 9.672 1.00 0.00 N ATOM 310 CA GLU A 21 -5.902 -2.732 10.531 1.00 0.00 C ATOM 311 C GLU A 21 -6.355 -4.072 9.960 1.00 0.00 C ATOM 312 O GLU A 21 -6.520 -5.048 10.690 1.00 0.00 O ATOM 313 CB GLU A 21 -7.105 -1.802 10.700 1.00 0.00 C ATOM 314 CG GLU A 21 -6.833 -0.612 11.604 1.00 0.00 C ATOM 315 CD GLU A 21 -5.603 0.170 11.184 1.00 0.00 C ATOM 316 OE1 GLU A 21 -4.482 -0.350 11.362 1.00 0.00 O ATOM 317 OE2 GLU A 21 -5.762 1.301 10.680 1.00 0.00 O ATOM 0 H GLU A 21 -5.010 -1.105 9.552 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.449 -2.909 11.507 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.414 -1.439 9.719 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.940 -2.373 11.106 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.699 0.050 11.598 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.705 -0.961 12.629 1.00 0.00 H new ATOM 324 N LYS A 22 -6.555 -4.110 8.647 1.00 0.00 N ATOM 325 CA LYS A 22 -6.988 -5.329 7.974 1.00 0.00 C ATOM 326 C LYS A 22 -6.017 -6.473 8.242 1.00 0.00 C ATOM 327 O LYS A 22 -6.431 -7.598 8.521 1.00 0.00 O ATOM 328 CB LYS A 22 -7.108 -5.089 6.467 1.00 0.00 C ATOM 329 CG LYS A 22 -8.083 -3.983 6.102 1.00 0.00 C ATOM 330 CD LYS A 22 -9.476 -4.271 6.637 1.00 0.00 C ATOM 331 CE LYS A 22 -10.458 -3.175 6.250 1.00 0.00 C ATOM 332 NZ LYS A 22 -11.871 -3.614 6.412 1.00 0.00 N ATOM 0 H LYS A 22 -6.424 -3.310 8.028 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.965 -5.606 8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.125 -4.841 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.424 -6.014 5.984 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.726 -3.035 6.504 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.123 -3.875 5.018 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.825 -5.228 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.439 -4.361 7.723 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.279 -2.293 6.865 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.285 -2.882 5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.479 -3.073 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -11.947 -4.628 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.176 -3.449 7.393 1.00 0.00 H new ATOM 346 N ASP A 23 -4.725 -6.179 8.157 1.00 0.00 N ATOM 347 CA ASP A 23 -3.694 -7.183 8.393 1.00 0.00 C ATOM 348 C ASP A 23 -3.622 -7.550 9.871 1.00 0.00 C ATOM 349 O ASP A 23 -3.239 -6.731 10.708 1.00 0.00 O ATOM 350 CB ASP A 23 -2.334 -6.671 7.914 1.00 0.00 C ATOM 351 CG ASP A 23 -1.298 -7.775 7.828 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.523 -8.847 8.429 1.00 0.00 O ATOM 353 OD2 ASP A 23 -0.262 -7.567 7.162 1.00 0.00 O ATOM 0 H ASP A 23 -4.366 -5.253 7.926 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.956 -8.077 7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.448 -6.207 6.935 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.980 -5.897 8.595 1.00 0.00 H new ATOM 358 N THR A 24 -3.993 -8.786 10.188 1.00 0.00 N ATOM 359 CA THR A 24 -3.972 -9.262 11.567 1.00 0.00 C ATOM 360 C THR A 24 -2.694 -10.040 11.861 1.00 0.00 C ATOM 361 O THR A 24 -2.194 -10.027 12.984 1.00 0.00 O ATOM 362 CB THR A 24 -5.187 -10.158 11.869 1.00 0.00 C ATOM 363 OG1 THR A 24 -5.136 -11.341 11.064 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.488 -9.416 11.606 1.00 0.00 C ATOM 0 H THR A 24 -4.312 -9.477 9.509 1.00 0.00 H new ATOM 0 HA THR A 24 -4.012 -8.381 12.207 1.00 0.00 H new ATOM 0 HB THR A 24 -5.152 -10.434 12.923 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.911 -11.906 11.264 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.331 -10.071 11.827 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.538 -8.532 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.529 -9.112 10.560 1.00 0.00 H new ATOM 372 N GLY A 25 -2.171 -10.715 10.843 1.00 0.00 N ATOM 373 CA GLY A 25 -0.954 -11.488 11.013 1.00 0.00 C ATOM 374 C GLY A 25 0.294 -10.636 10.911 1.00 0.00 C ATOM 375 O GLY A 25 1.393 -11.091 11.227 1.00 0.00 O ATOM 0 H GLY A 25 -2.568 -10.741 9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.974 -11.982 11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.917 -12.272 10.257 1.00 0.00 H new ATOM 379 N ASN A 26 0.127 -9.394 10.466 1.00 0.00 N ATOM 380 CA ASN A 26 1.251 -8.476 10.322 1.00 0.00 C ATOM 381 C ASN A 26 2.327 -9.072 9.420 1.00 0.00 C ATOM 382 O ASN A 26 3.521 -8.952 9.698 1.00 0.00 O ATOM 383 CB ASN A 26 1.844 -8.144 11.692 1.00 0.00 C ATOM 384 CG ASN A 26 0.789 -8.071 12.778 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.366 -9.093 13.318 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.357 -6.857 13.103 1.00 0.00 N ATOM 0 H ASN A 26 -0.776 -9.001 10.199 1.00 0.00 H new ATOM 0 HA ASN A 26 0.883 -7.559 9.862 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.583 -8.900 11.958 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.370 -7.191 11.636 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.353 -6.745 13.826 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.736 -6.037 12.629 1.00 0.00 H new ATOM 393 N ILE A 27 1.896 -9.713 8.338 1.00 0.00 N ATOM 394 CA ILE A 27 2.823 -10.326 7.394 1.00 0.00 C ATOM 395 C ILE A 27 3.513 -9.269 6.536 1.00 0.00 C ATOM 396 O ILE A 27 4.724 -9.322 6.325 1.00 0.00 O ATOM 397 CB ILE A 27 2.106 -11.331 6.473 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.414 -12.413 7.305 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.094 -11.955 5.500 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.574 -13.363 6.480 1.00 0.00 C ATOM 0 H ILE A 27 0.912 -9.821 8.094 1.00 0.00 H new ATOM 0 HA ILE A 27 3.570 -10.856 7.984 1.00 0.00 H new ATOM 0 HB ILE A 27 1.347 -10.799 5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.169 -12.984 7.845 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.780 -11.936 8.053 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.572 -12.663 4.856 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.546 -11.174 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.873 -12.476 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.113 -14.103 7.134 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.204 -12.803 5.961 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.207 -13.868 5.750 1.00 0.00 H new ATOM 412 N PHE A 28 2.733 -8.312 6.047 1.00 0.00 N ATOM 413 CA PHE A 28 3.268 -7.243 5.213 1.00 0.00 C ATOM 414 C PHE A 28 3.624 -6.021 6.056 1.00 0.00 C ATOM 415 O PHE A 28 4.341 -5.128 5.603 1.00 0.00 O ATOM 416 CB PHE A 28 2.256 -6.853 4.134 1.00 0.00 C ATOM 417 CG PHE A 28 1.508 -8.024 3.563 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.320 -8.449 4.134 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.993 -8.699 2.455 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.370 -9.527 3.613 1.00 0.00 C ATOM 421 CE2 PHE A 28 1.308 -9.778 1.927 1.00 0.00 C ATOM 422 CZ PHE A 28 0.124 -10.192 2.507 1.00 0.00 C ATOM 0 H PHE A 28 1.728 -8.255 6.214 1.00 0.00 H new ATOM 0 HA PHE A 28 4.176 -7.611 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.541 -6.146 4.556 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.777 -6.337 3.328 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.072 -7.932 4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.918 -8.379 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.294 -9.849 4.070 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.698 -10.296 1.063 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.414 -11.034 2.097 1.00 0.00 H new ATOM 432 N SER A 29 3.117 -5.989 7.284 1.00 0.00 N ATOM 433 CA SER A 29 3.376 -4.876 8.190 1.00 0.00 C ATOM 434 C SER A 29 4.866 -4.550 8.236 1.00 0.00 C ATOM 435 O SER A 29 5.259 -3.449 8.621 1.00 0.00 O ATOM 436 CB SER A 29 2.871 -5.206 9.595 1.00 0.00 C ATOM 437 OG SER A 29 2.483 -4.032 10.286 1.00 0.00 O ATOM 0 H SER A 29 2.524 -6.721 7.675 1.00 0.00 H new ATOM 0 HA SER A 29 2.841 -4.003 7.816 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.025 -5.890 9.529 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.653 -5.720 10.155 1.00 0.00 H new ATOM 0 HG SER A 29 2.163 -4.270 11.181 1.00 0.00 H new ATOM 443 N GLU A 30 5.690 -5.516 7.841 1.00 0.00 N ATOM 444 CA GLU A 30 7.136 -5.332 7.838 1.00 0.00 C ATOM 445 C GLU A 30 7.740 -5.782 6.512 1.00 0.00 C ATOM 446 O GLU A 30 7.209 -6.655 5.824 1.00 0.00 O ATOM 447 CB GLU A 30 7.774 -6.111 8.991 1.00 0.00 C ATOM 448 CG GLU A 30 7.062 -5.922 10.320 1.00 0.00 C ATOM 449 CD GLU A 30 7.914 -6.340 11.503 1.00 0.00 C ATOM 450 OE1 GLU A 30 9.004 -5.758 11.685 1.00 0.00 O ATOM 451 OE2 GLU A 30 7.490 -7.250 12.246 1.00 0.00 O ATOM 0 H GLU A 30 5.381 -6.433 7.519 1.00 0.00 H new ATOM 0 HA GLU A 30 7.341 -4.269 7.969 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.783 -7.172 8.741 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.813 -5.800 9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.781 -4.875 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.139 -6.502 10.319 1.00 0.00 H new ATOM 458 N PRO A 31 8.876 -5.173 6.141 1.00 0.00 N ATOM 459 CA PRO A 31 9.576 -5.494 4.895 1.00 0.00 C ATOM 460 C PRO A 31 10.214 -6.878 4.928 1.00 0.00 C ATOM 461 O PRO A 31 10.835 -7.262 5.919 1.00 0.00 O ATOM 462 CB PRO A 31 10.653 -4.411 4.803 1.00 0.00 C ATOM 463 CG PRO A 31 10.889 -3.991 6.214 1.00 0.00 C ATOM 464 CD PRO A 31 9.564 -4.124 6.912 1.00 0.00 C ATOM 0 HA PRO A 31 8.899 -5.514 4.041 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.565 -4.797 4.347 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.320 -3.573 4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.644 -4.619 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.253 -2.965 6.260 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.687 -4.409 7.957 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.008 -3.187 6.900 1.00 0.00 H new ATOM 472 N VAL A 32 10.058 -7.624 3.839 1.00 0.00 N ATOM 473 CA VAL A 32 10.621 -8.966 3.743 1.00 0.00 C ATOM 474 C VAL A 32 12.144 -8.921 3.715 1.00 0.00 C ATOM 475 O VAL A 32 12.757 -8.297 2.848 1.00 0.00 O ATOM 476 CB VAL A 32 10.116 -9.697 2.485 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.730 -11.087 2.393 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.597 -9.775 2.488 1.00 0.00 C ATOM 0 H VAL A 32 9.546 -7.322 3.010 1.00 0.00 H new ATOM 0 HA VAL A 32 10.293 -9.512 4.627 1.00 0.00 H new ATOM 0 HB VAL A 32 10.426 -9.130 1.607 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.362 -11.589 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.815 -11.003 2.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.453 -11.666 3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.258 -10.295 1.592 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.262 -10.319 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.181 -8.768 2.503 1.00 0.00 H new ATOM 488 N PRO A 33 12.774 -9.600 4.686 1.00 0.00 N ATOM 489 CA PRO A 33 14.235 -9.654 4.795 1.00 0.00 C ATOM 490 C PRO A 33 14.868 -10.475 3.676 1.00 0.00 C ATOM 491 O PRO A 33 14.463 -11.609 3.418 1.00 0.00 O ATOM 492 CB PRO A 33 14.465 -10.330 6.149 1.00 0.00 C ATOM 493 CG PRO A 33 13.234 -11.137 6.384 1.00 0.00 C ATOM 494 CD PRO A 33 12.107 -10.366 5.753 1.00 0.00 C ATOM 0 HA PRO A 33 14.687 -8.665 4.715 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.354 -10.960 6.131 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.612 -9.594 6.939 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.326 -12.128 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.059 -11.281 7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.341 -11.030 5.352 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.616 -9.710 6.472 1.00 0.00 H new ATOM 502 N LEU A 34 15.866 -9.895 3.016 1.00 0.00 N ATOM 503 CA LEU A 34 16.556 -10.573 1.925 1.00 0.00 C ATOM 504 C LEU A 34 17.293 -11.809 2.431 1.00 0.00 C ATOM 505 O LEU A 34 17.466 -12.784 1.700 1.00 0.00 O ATOM 506 CB LEU A 34 17.543 -9.619 1.249 1.00 0.00 C ATOM 507 CG LEU A 34 16.927 -8.441 0.495 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.011 -7.606 -0.169 1.00 0.00 C ATOM 509 CD2 LEU A 34 15.924 -8.933 -0.538 1.00 0.00 C ATOM 0 H LEU A 34 16.214 -8.958 3.218 1.00 0.00 H new ATOM 0 HA LEU A 34 15.809 -10.890 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.216 -9.225 2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.152 -10.193 0.551 1.00 0.00 H new ATOM 0 HG LEU A 34 16.400 -7.812 1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.553 -6.772 -0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.691 -7.222 0.591 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.566 -8.225 -0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.496 -8.080 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.427 -9.585 -1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.129 -9.487 -0.038 1.00 0.00 H new ATOM 521 N SER A 35 17.722 -11.763 3.688 1.00 0.00 N ATOM 522 CA SER A 35 18.441 -12.878 4.292 1.00 0.00 C ATOM 523 C SER A 35 17.695 -14.190 4.070 1.00 0.00 C ATOM 524 O SER A 35 18.305 -15.230 3.826 1.00 0.00 O ATOM 525 CB SER A 35 18.636 -12.636 5.791 1.00 0.00 C ATOM 526 OG SER A 35 19.553 -13.565 6.342 1.00 0.00 O ATOM 0 H SER A 35 17.584 -10.965 4.308 1.00 0.00 H new ATOM 0 HA SER A 35 19.417 -12.950 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.999 -11.621 5.955 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.678 -12.718 6.304 1.00 0.00 H new ATOM 0 HG SER A 35 19.662 -13.389 7.300 1.00 0.00 H new ATOM 532 N GLU A 36 16.370 -14.132 4.158 1.00 0.00 N ATOM 533 CA GLU A 36 15.540 -15.315 3.968 1.00 0.00 C ATOM 534 C GLU A 36 15.153 -15.478 2.501 1.00 0.00 C ATOM 535 O GLU A 36 15.014 -16.596 2.004 1.00 0.00 O ATOM 536 CB GLU A 36 14.280 -15.225 4.832 1.00 0.00 C ATOM 537 CG GLU A 36 14.567 -15.179 6.323 1.00 0.00 C ATOM 538 CD GLU A 36 15.561 -16.239 6.759 1.00 0.00 C ATOM 539 OE1 GLU A 36 16.775 -16.036 6.550 1.00 0.00 O ATOM 540 OE2 GLU A 36 15.123 -17.270 7.311 1.00 0.00 O ATOM 0 H GLU A 36 15.849 -13.279 4.360 1.00 0.00 H new ATOM 0 HA GLU A 36 16.119 -16.187 4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.720 -14.333 4.551 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.642 -16.083 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.954 -14.194 6.585 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.635 -15.312 6.873 1.00 0.00 H new ATOM 547 N VAL A 37 14.978 -14.354 1.813 1.00 0.00 N ATOM 548 CA VAL A 37 14.607 -14.371 0.403 1.00 0.00 C ATOM 549 C VAL A 37 15.663 -13.678 -0.451 1.00 0.00 C ATOM 550 O VAL A 37 15.550 -12.499 -0.787 1.00 0.00 O ATOM 551 CB VAL A 37 13.247 -13.686 0.172 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.566 -14.254 -1.065 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.358 -13.841 1.397 1.00 0.00 C ATOM 0 H VAL A 37 15.087 -13.420 2.209 1.00 0.00 H new ATOM 0 HA VAL A 37 14.533 -15.418 0.108 1.00 0.00 H new ATOM 0 HB VAL A 37 13.419 -12.622 0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.607 -13.758 -1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.198 -14.087 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.405 -15.324 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.401 -13.351 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.192 -14.900 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.843 -13.383 2.259 1.00 0.00 H new ATOM 563 N PRO A 38 16.715 -14.427 -0.814 1.00 0.00 N ATOM 564 CA PRO A 38 17.813 -13.906 -1.635 1.00 0.00 C ATOM 565 C PRO A 38 17.383 -13.639 -3.073 1.00 0.00 C ATOM 566 O PRO A 38 18.050 -12.905 -3.804 1.00 0.00 O ATOM 567 CB PRO A 38 18.854 -15.027 -1.587 1.00 0.00 C ATOM 568 CG PRO A 38 18.068 -16.263 -1.316 1.00 0.00 C ATOM 569 CD PRO A 38 16.915 -15.839 -0.449 1.00 0.00 C ATOM 0 HA PRO A 38 18.181 -12.949 -1.266 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.398 -15.102 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.592 -14.848 -0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.714 -16.712 -2.244 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.680 -17.012 -0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 38 16.024 -16.435 -0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.146 -15.951 0.610 1.00 0.00 H new ATOM 577 N ASP A 39 16.267 -14.238 -3.474 1.00 0.00 N ATOM 578 CA ASP A 39 15.749 -14.063 -4.826 1.00 0.00 C ATOM 579 C ASP A 39 14.459 -13.246 -4.812 1.00 0.00 C ATOM 580 O ASP A 39 13.626 -13.367 -5.710 1.00 0.00 O ATOM 581 CB ASP A 39 15.498 -15.423 -5.478 1.00 0.00 C ATOM 582 CG ASP A 39 16.734 -16.300 -5.481 1.00 0.00 C ATOM 583 OD1 ASP A 39 17.735 -15.913 -6.120 1.00 0.00 O ATOM 584 OD2 ASP A 39 16.701 -17.374 -4.845 1.00 0.00 O ATOM 0 H ASP A 39 15.704 -14.849 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 39 16.495 -13.522 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.695 -15.934 -4.948 1.00 0.00 H new ATOM 0 HB3 ASP A 39 15.159 -15.274 -6.503 1.00 0.00 H new ATOM 589 N TYR A 40 14.302 -12.417 -3.786 1.00 0.00 N ATOM 590 CA TYR A 40 13.113 -11.583 -3.653 1.00 0.00 C ATOM 591 C TYR A 40 12.936 -10.688 -4.876 1.00 0.00 C ATOM 592 O TYR A 40 11.883 -10.693 -5.515 1.00 0.00 O ATOM 593 CB TYR A 40 13.205 -10.726 -2.389 1.00 0.00 C ATOM 594 CG TYR A 40 11.956 -9.920 -2.112 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.698 -10.507 -2.175 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.035 -8.570 -1.788 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.555 -9.772 -1.923 1.00 0.00 C ATOM 598 CE2 TYR A 40 10.897 -7.829 -1.534 1.00 0.00 C ATOM 599 CZ TYR A 40 9.660 -8.435 -1.604 1.00 0.00 C ATOM 600 OH TYR A 40 8.522 -7.701 -1.352 1.00 0.00 O ATOM 0 H TYR A 40 14.983 -12.305 -3.035 1.00 0.00 H new ATOM 0 HA TYR A 40 12.246 -12.239 -3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.407 -11.373 -1.535 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.053 -10.047 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.612 -11.554 -2.425 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.002 -8.093 -1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.584 -10.243 -1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.976 -6.782 -1.282 1.00 0.00 H new ATOM 0 HH TYR A 40 8.769 -6.776 -1.141 1.00 0.00 H new ATOM 610 N LEU A 41 13.973 -9.922 -5.195 1.00 0.00 N ATOM 611 CA LEU A 41 13.934 -9.021 -6.342 1.00 0.00 C ATOM 612 C LEU A 41 13.972 -9.804 -7.650 1.00 0.00 C ATOM 613 O LEU A 41 13.310 -9.440 -8.623 1.00 0.00 O ATOM 614 CB LEU A 41 15.107 -8.042 -6.287 1.00 0.00 C ATOM 615 CG LEU A 41 15.359 -7.373 -4.935 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.689 -6.634 -4.945 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.222 -6.423 -4.588 1.00 0.00 C ATOM 0 H LEU A 41 14.851 -9.906 -4.676 1.00 0.00 H new ATOM 0 HA LEU A 41 13.000 -8.461 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.012 -8.573 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 41 14.939 -7.262 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 41 15.403 -8.149 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 41 16.851 -6.164 -3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.495 -7.339 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.674 -5.869 -5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.419 -5.957 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.145 -5.652 -5.355 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.286 -6.979 -4.538 1.00 0.00 H new ATOM 629 N ASP A 42 14.749 -10.881 -7.667 1.00 0.00 N ATOM 630 CA ASP A 42 14.870 -11.718 -8.855 1.00 0.00 C ATOM 631 C ASP A 42 13.526 -11.857 -9.562 1.00 0.00 C ATOM 632 O ASP A 42 13.449 -11.796 -10.790 1.00 0.00 O ATOM 633 CB ASP A 42 15.407 -13.100 -8.479 1.00 0.00 C ATOM 634 CG ASP A 42 16.921 -13.128 -8.385 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.581 -12.602 -9.306 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.444 -13.675 -7.392 1.00 0.00 O ATOM 0 H ASP A 42 15.305 -11.195 -6.871 1.00 0.00 H new ATOM 0 HA ASP A 42 15.571 -11.237 -9.537 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.981 -13.404 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.078 -13.828 -9.221 1.00 0.00 H new ATOM 641 N HIS A 43 12.467 -12.045 -8.780 1.00 0.00 N ATOM 642 CA HIS A 43 11.125 -12.193 -9.332 1.00 0.00 C ATOM 643 C HIS A 43 10.350 -10.882 -9.235 1.00 0.00 C ATOM 644 O HIS A 43 9.580 -10.538 -10.131 1.00 0.00 O ATOM 645 CB HIS A 43 10.369 -13.301 -8.598 1.00 0.00 C ATOM 646 CG HIS A 43 11.047 -14.634 -8.665 1.00 0.00 C ATOM 647 ND1 HIS A 43 10.544 -15.699 -9.382 1.00 0.00 N ATOM 648 CD2 HIS A 43 12.197 -15.074 -8.101 1.00 0.00 C ATOM 649 CE1 HIS A 43 11.354 -16.735 -9.255 1.00 0.00 C ATOM 650 NE2 HIS A 43 12.364 -16.382 -8.482 1.00 0.00 N ATOM 0 H HIS A 43 12.513 -12.098 -7.762 1.00 0.00 H new ATOM 0 HA HIS A 43 11.219 -12.462 -10.384 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.248 -13.016 -7.553 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.369 -13.390 -9.022 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.860 -14.502 -7.469 1.00 0.00 H new ATOM 0 HE1 HIS A 43 11.214 -17.706 -9.707 1.00 0.00 H new ATOM 0 HE2 HIS A 43 13.142 -16.984 -8.212 1.00 0.00 H new ATOM 659 N ILE A 44 10.560 -10.156 -8.142 1.00 0.00 N ATOM 660 CA ILE A 44 9.883 -8.883 -7.930 1.00 0.00 C ATOM 661 C ILE A 44 10.714 -7.721 -8.463 1.00 0.00 C ATOM 662 O ILE A 44 11.851 -7.512 -8.041 1.00 0.00 O ATOM 663 CB ILE A 44 9.586 -8.645 -6.437 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.658 -9.736 -5.899 1.00 0.00 C ATOM 665 CG2 ILE A 44 8.970 -7.269 -6.232 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.564 -10.130 -6.867 1.00 0.00 C ATOM 0 H ILE A 44 11.193 -10.428 -7.390 1.00 0.00 H new ATOM 0 HA ILE A 44 8.941 -8.933 -8.477 1.00 0.00 H new ATOM 0 HB ILE A 44 10.524 -8.687 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.250 -10.618 -5.654 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.203 -9.390 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.766 -7.116 -5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.663 -6.504 -6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.039 -7.200 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.945 -10.907 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.947 -9.260 -7.093 1.00 0.00 H new ATOM 0 HD13 ILE A 44 8.011 -10.507 -7.787 1.00 0.00 H new ATOM 678 N LYS A 45 10.137 -6.967 -9.392 1.00 0.00 N ATOM 679 CA LYS A 45 10.822 -5.823 -9.982 1.00 0.00 C ATOM 680 C LYS A 45 10.771 -4.617 -9.050 1.00 0.00 C ATOM 681 O LYS A 45 11.768 -3.921 -8.860 1.00 0.00 O ATOM 682 CB LYS A 45 10.194 -5.466 -11.331 1.00 0.00 C ATOM 683 CG LYS A 45 10.551 -6.434 -12.445 1.00 0.00 C ATOM 684 CD LYS A 45 11.916 -6.125 -13.037 1.00 0.00 C ATOM 685 CE LYS A 45 12.278 -7.102 -14.144 1.00 0.00 C ATOM 686 NZ LYS A 45 13.349 -6.566 -15.029 1.00 0.00 N ATOM 0 H LYS A 45 9.197 -7.127 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 45 11.866 -6.097 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.110 -5.436 -11.221 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.513 -4.464 -11.616 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.543 -7.453 -12.059 1.00 0.00 H new ATOM 0 HG3 LYS A 45 9.794 -6.384 -13.228 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.921 -5.109 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.672 -6.166 -12.253 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.608 -8.043 -13.704 1.00 0.00 H new ATOM 0 HE3 LYS A 45 11.391 -7.321 -14.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.567 -7.262 -15.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.025 -5.681 -15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.204 -6.380 -14.466 1.00 0.00 H new ATOM 700 N LYS A 46 9.601 -4.375 -8.469 1.00 0.00 N ATOM 701 CA LYS A 46 9.418 -3.255 -7.553 1.00 0.00 C ATOM 702 C LYS A 46 8.688 -3.698 -6.289 1.00 0.00 C ATOM 703 O LYS A 46 7.464 -3.613 -6.187 1.00 0.00 O ATOM 704 CB LYS A 46 8.636 -2.131 -8.238 1.00 0.00 C ATOM 705 CG LYS A 46 8.466 -0.894 -7.374 1.00 0.00 C ATOM 706 CD LYS A 46 7.732 0.209 -8.117 1.00 0.00 C ATOM 707 CE LYS A 46 7.055 1.174 -7.156 1.00 0.00 C ATOM 708 NZ LYS A 46 6.083 2.060 -7.853 1.00 0.00 N ATOM 0 H LYS A 46 8.765 -4.940 -8.616 1.00 0.00 H new ATOM 0 HA LYS A 46 10.404 -2.885 -7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.148 -1.853 -9.159 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.652 -2.505 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.915 -1.154 -6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.445 -0.532 -7.058 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.435 0.754 -8.747 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.986 -0.231 -8.778 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.540 0.610 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.811 1.783 -6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.643 2.703 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.579 2.617 -8.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.347 1.480 -8.305 1.00 0.00 H new ATOM 722 N PRO A 47 9.455 -4.182 -5.301 1.00 0.00 N ATOM 723 CA PRO A 47 8.903 -4.647 -4.025 1.00 0.00 C ATOM 724 C PRO A 47 8.361 -3.501 -3.177 1.00 0.00 C ATOM 725 O PRO A 47 8.875 -2.384 -3.224 1.00 0.00 O ATOM 726 CB PRO A 47 10.103 -5.301 -3.336 1.00 0.00 C ATOM 727 CG PRO A 47 11.293 -4.632 -3.931 1.00 0.00 C ATOM 728 CD PRO A 47 10.922 -4.313 -5.352 1.00 0.00 C ATOM 0 HA PRO A 47 8.058 -5.320 -4.168 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.066 -5.157 -2.256 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.124 -6.376 -3.513 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.547 -3.726 -3.381 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.166 -5.283 -3.893 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.396 -3.393 -5.694 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.231 -5.104 -6.035 1.00 0.00 H new ATOM 736 N MET A 48 7.322 -3.787 -2.399 1.00 0.00 N ATOM 737 CA MET A 48 6.712 -2.780 -1.538 1.00 0.00 C ATOM 738 C MET A 48 6.169 -3.413 -0.262 1.00 0.00 C ATOM 739 O MET A 48 6.006 -4.631 -0.182 1.00 0.00 O ATOM 740 CB MET A 48 5.587 -2.056 -2.281 1.00 0.00 C ATOM 741 CG MET A 48 5.078 -0.821 -1.557 1.00 0.00 C ATOM 742 SD MET A 48 6.379 0.390 -1.249 1.00 0.00 S ATOM 743 CE MET A 48 6.908 0.752 -2.922 1.00 0.00 C ATOM 0 H MET A 48 6.885 -4.707 -2.347 1.00 0.00 H new ATOM 0 HA MET A 48 7.481 -2.057 -1.265 1.00 0.00 H new ATOM 0 HB2 MET A 48 5.943 -1.767 -3.270 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.758 -2.747 -2.430 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.288 -0.358 -2.148 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.632 -1.119 -0.608 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.494 1.671 -2.927 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.518 -0.070 -3.296 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.034 0.875 -3.561 1.00 0.00 H new ATOM 753 N ASP A 49 5.890 -2.579 0.735 1.00 0.00 N ATOM 754 CA ASP A 49 5.364 -3.058 2.007 1.00 0.00 C ATOM 755 C ASP A 49 4.621 -1.946 2.741 1.00 0.00 C ATOM 756 O ASP A 49 4.512 -0.825 2.245 1.00 0.00 O ATOM 757 CB ASP A 49 6.497 -3.596 2.882 1.00 0.00 C ATOM 758 CG ASP A 49 6.958 -4.974 2.450 1.00 0.00 C ATOM 759 OD1 ASP A 49 6.306 -5.966 2.839 1.00 0.00 O ATOM 760 OD2 ASP A 49 7.971 -5.060 1.725 1.00 0.00 O ATOM 0 H ASP A 49 6.020 -1.568 0.686 1.00 0.00 H new ATOM 0 HA ASP A 49 4.661 -3.865 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.340 -2.906 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.164 -3.636 3.919 1.00 0.00 H new ATOM 765 N PHE A 50 4.111 -2.263 3.927 1.00 0.00 N ATOM 766 CA PHE A 50 3.378 -1.292 4.729 1.00 0.00 C ATOM 767 C PHE A 50 4.332 -0.299 5.387 1.00 0.00 C ATOM 768 O PHE A 50 3.955 0.834 5.689 1.00 0.00 O ATOM 769 CB PHE A 50 2.547 -2.004 5.798 1.00 0.00 C ATOM 770 CG PHE A 50 1.173 -2.392 5.330 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.316 -1.444 4.795 1.00 0.00 C ATOM 772 CD2 PHE A 50 0.739 -3.704 5.424 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.949 -1.796 4.364 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.524 -4.064 4.994 1.00 0.00 C ATOM 775 CZ PHE A 50 -1.369 -3.108 4.463 1.00 0.00 C ATOM 0 H PHE A 50 4.192 -3.186 4.354 1.00 0.00 H new ATOM 0 HA PHE A 50 2.709 -0.742 4.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.078 -2.899 6.123 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.456 -1.354 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.641 -0.417 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.396 -4.455 5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.608 -1.047 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.850 -5.091 5.073 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.357 -3.386 4.126 1.00 0.00 H new ATOM 785 N PHE A 51 5.567 -0.734 5.609 1.00 0.00 N ATOM 786 CA PHE A 51 6.576 0.115 6.235 1.00 0.00 C ATOM 787 C PHE A 51 7.378 0.872 5.180 1.00 0.00 C ATOM 788 O PHE A 51 7.774 2.019 5.389 1.00 0.00 O ATOM 789 CB PHE A 51 7.516 -0.726 7.101 1.00 0.00 C ATOM 790 CG PHE A 51 8.842 -0.072 7.356 1.00 0.00 C ATOM 791 CD1 PHE A 51 8.991 0.845 8.385 1.00 0.00 C ATOM 792 CD2 PHE A 51 9.942 -0.373 6.567 1.00 0.00 C ATOM 793 CE1 PHE A 51 10.211 1.450 8.622 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.164 0.229 6.801 1.00 0.00 C ATOM 795 CZ PHE A 51 11.299 1.142 7.828 1.00 0.00 C ATOM 0 H PHE A 51 5.894 -1.669 5.365 1.00 0.00 H new ATOM 0 HA PHE A 51 6.064 0.840 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.031 -0.931 8.056 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.682 -1.687 6.615 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.144 1.090 9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.843 -1.085 5.761 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.314 2.163 9.427 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.014 -0.015 6.180 1.00 0.00 H new ATOM 0 HZ PHE A 51 12.253 1.614 8.010 1.00 0.00 H new ATOM 805 N THR A 52 7.617 0.220 4.046 1.00 0.00 N ATOM 806 CA THR A 52 8.373 0.830 2.960 1.00 0.00 C ATOM 807 C THR A 52 7.647 2.048 2.400 1.00 0.00 C ATOM 808 O THR A 52 8.231 3.124 2.267 1.00 0.00 O ATOM 809 CB THR A 52 8.624 -0.173 1.818 1.00 0.00 C ATOM 810 OG1 THR A 52 9.462 -1.240 2.278 1.00 0.00 O ATOM 811 CG2 THR A 52 9.276 0.514 0.628 1.00 0.00 C ATOM 0 H THR A 52 7.298 -0.730 3.856 1.00 0.00 H new ATOM 0 HA THR A 52 9.330 1.142 3.378 1.00 0.00 H new ATOM 0 HB THR A 52 7.663 -0.578 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.615 -1.874 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.443 -0.214 -0.166 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.622 1.306 0.262 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.230 0.943 0.934 1.00 0.00 H new ATOM 819 N MET A 53 6.371 1.872 2.073 1.00 0.00 N ATOM 820 CA MET A 53 5.566 2.959 1.529 1.00 0.00 C ATOM 821 C MET A 53 5.558 4.156 2.475 1.00 0.00 C ATOM 822 O MET A 53 5.650 5.305 2.040 1.00 0.00 O ATOM 823 CB MET A 53 4.133 2.484 1.277 1.00 0.00 C ATOM 824 CG MET A 53 3.464 1.894 2.508 1.00 0.00 C ATOM 825 SD MET A 53 1.988 0.940 2.105 1.00 0.00 S ATOM 826 CE MET A 53 1.121 2.090 1.038 1.00 0.00 C ATOM 0 H MET A 53 5.873 0.988 2.175 1.00 0.00 H new ATOM 0 HA MET A 53 6.010 3.269 0.583 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.538 3.324 0.917 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.141 1.736 0.484 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.174 1.254 3.031 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.196 2.699 3.192 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.049 1.897 1.089 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.322 3.111 1.364 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.464 1.963 0.011 1.00 0.00 H new ATOM 836 N LYS A 54 5.447 3.881 3.770 1.00 0.00 N ATOM 837 CA LYS A 54 5.429 4.934 4.778 1.00 0.00 C ATOM 838 C LYS A 54 6.631 5.859 4.621 1.00 0.00 C ATOM 839 O LYS A 54 6.486 7.081 4.586 1.00 0.00 O ATOM 840 CB LYS A 54 5.419 4.326 6.181 1.00 0.00 C ATOM 841 CG LYS A 54 5.224 5.348 7.287 1.00 0.00 C ATOM 842 CD LYS A 54 3.752 5.556 7.601 1.00 0.00 C ATOM 843 CE LYS A 54 3.563 6.380 8.866 1.00 0.00 C ATOM 844 NZ LYS A 54 3.631 5.537 10.092 1.00 0.00 N ATOM 0 H LYS A 54 5.368 2.936 4.146 1.00 0.00 H new ATOM 0 HA LYS A 54 4.521 5.521 4.637 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.623 3.583 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.359 3.800 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.745 5.017 8.185 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.671 6.297 6.990 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.267 6.057 6.763 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.264 4.589 7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.330 7.153 8.914 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.600 6.888 8.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.498 6.135 10.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.883 4.815 10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.560 5.072 10.142 1.00 0.00 H new ATOM 858 N GLN A 55 7.817 5.268 4.525 1.00 0.00 N ATOM 859 CA GLN A 55 9.045 6.040 4.371 1.00 0.00 C ATOM 860 C GLN A 55 8.917 7.044 3.231 1.00 0.00 C ATOM 861 O GLN A 55 9.166 8.236 3.410 1.00 0.00 O ATOM 862 CB GLN A 55 10.230 5.107 4.114 1.00 0.00 C ATOM 863 CG GLN A 55 10.422 4.055 5.195 1.00 0.00 C ATOM 864 CD GLN A 55 11.148 4.593 6.411 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.304 5.008 6.326 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.472 4.587 7.554 1.00 0.00 N ATOM 0 H GLN A 55 7.954 4.258 4.551 1.00 0.00 H new ATOM 0 HA GLN A 55 9.218 6.589 5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.088 4.609 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.139 5.702 4.032 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.449 3.670 5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 55 10.983 3.215 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.515 4.234 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.909 4.936 8.407 1.00 0.00 H new ATOM 875 N ASN A 56 8.528 6.554 2.059 1.00 0.00 N ATOM 876 CA ASN A 56 8.368 7.410 0.888 1.00 0.00 C ATOM 877 C ASN A 56 7.282 8.456 1.123 1.00 0.00 C ATOM 878 O ASN A 56 7.413 9.607 0.706 1.00 0.00 O ATOM 879 CB ASN A 56 8.022 6.568 -0.342 1.00 0.00 C ATOM 880 CG ASN A 56 9.062 5.501 -0.623 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.250 5.691 -0.359 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.620 4.371 -1.162 1.00 0.00 N ATOM 0 H ASN A 56 8.318 5.570 1.894 1.00 0.00 H new ATOM 0 HA ASN A 56 9.313 7.925 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.051 6.095 -0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.930 7.220 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.274 3.617 -1.374 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.627 4.257 -1.364 1.00 0.00 H new ATOM 889 N LEU A 57 6.212 8.049 1.796 1.00 0.00 N ATOM 890 CA LEU A 57 5.103 8.951 2.088 1.00 0.00 C ATOM 891 C LEU A 57 5.574 10.142 2.916 1.00 0.00 C ATOM 892 O LEU A 57 5.184 11.280 2.660 1.00 0.00 O ATOM 893 CB LEU A 57 3.995 8.204 2.833 1.00 0.00 C ATOM 894 CG LEU A 57 3.113 9.052 3.750 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.713 8.464 3.837 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.734 9.164 5.134 1.00 0.00 C ATOM 0 H LEU A 57 6.088 7.100 2.150 1.00 0.00 H new ATOM 0 HA LEU A 57 4.710 9.322 1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.356 7.715 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.454 7.416 3.430 1.00 0.00 H new ATOM 0 HG LEU A 57 3.038 10.053 3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.100 9.081 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.267 8.438 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.768 7.451 4.237 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.092 9.771 5.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.840 8.169 5.567 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.715 9.632 5.056 1.00 0.00 H new ATOM 908 N GLU A 58 6.416 9.871 3.908 1.00 0.00 N ATOM 909 CA GLU A 58 6.942 10.922 4.772 1.00 0.00 C ATOM 910 C GLU A 58 8.029 11.720 4.058 1.00 0.00 C ATOM 911 O GLU A 58 8.462 12.767 4.539 1.00 0.00 O ATOM 912 CB GLU A 58 7.499 10.319 6.064 1.00 0.00 C ATOM 913 CG GLU A 58 6.426 9.825 7.018 1.00 0.00 C ATOM 914 CD GLU A 58 6.942 9.640 8.431 1.00 0.00 C ATOM 915 OE1 GLU A 58 7.068 10.651 9.153 1.00 0.00 O ATOM 916 OE2 GLU A 58 7.221 8.485 8.815 1.00 0.00 O ATOM 0 H GLU A 58 6.749 8.933 4.133 1.00 0.00 H new ATOM 0 HA GLU A 58 6.124 11.598 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.159 9.489 5.812 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.107 11.068 6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.599 10.535 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.029 8.878 6.653 1.00 0.00 H new ATOM 923 N ALA A 59 8.467 11.216 2.910 1.00 0.00 N ATOM 924 CA ALA A 59 9.503 11.881 2.129 1.00 0.00 C ATOM 925 C ALA A 59 8.894 12.713 1.005 1.00 0.00 C ATOM 926 O ALA A 59 9.595 13.145 0.090 1.00 0.00 O ATOM 927 CB ALA A 59 10.477 10.858 1.562 1.00 0.00 C ATOM 0 H ALA A 59 8.121 10.349 2.499 1.00 0.00 H new ATOM 0 HA ALA A 59 10.046 12.554 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.245 11.369 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.945 10.310 2.379 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.939 10.161 0.919 1.00 0.00 H new ATOM 933 N TYR A 60 7.586 12.933 1.080 1.00 0.00 N ATOM 934 CA TYR A 60 6.883 13.711 0.068 1.00 0.00 C ATOM 935 C TYR A 60 7.060 13.092 -1.315 1.00 0.00 C ATOM 936 O TYR A 60 7.210 13.801 -2.311 1.00 0.00 O ATOM 937 CB TYR A 60 7.388 15.155 0.061 1.00 0.00 C ATOM 938 CG TYR A 60 6.968 15.949 1.277 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.548 15.714 2.518 1.00 0.00 C ATOM 940 CD2 TYR A 60 5.991 16.934 1.186 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.167 16.437 3.632 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.606 17.662 2.294 1.00 0.00 C ATOM 943 CZ TYR A 60 6.196 17.410 3.515 1.00 0.00 C ATOM 944 OH TYR A 60 5.813 18.133 4.622 1.00 0.00 O ATOM 0 H TYR A 60 6.991 12.583 1.831 1.00 0.00 H new ATOM 0 HA TYR A 60 5.822 13.706 0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.476 15.150 -0.001 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.020 15.656 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.309 14.954 2.613 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.525 17.133 0.232 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.627 16.241 4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.847 18.425 2.205 1.00 0.00 H new ATOM 0 HH TYR A 60 5.121 18.778 4.368 1.00 0.00 H new ATOM 954 N ARG A 61 7.042 11.764 -1.369 1.00 0.00 N ATOM 955 CA ARG A 61 7.201 11.048 -2.629 1.00 0.00 C ATOM 956 C ARG A 61 5.848 10.812 -3.294 1.00 0.00 C ATOM 957 O ARG A 61 5.765 10.641 -4.510 1.00 0.00 O ATOM 958 CB ARG A 61 7.906 9.711 -2.394 1.00 0.00 C ATOM 959 CG ARG A 61 9.382 9.851 -2.058 1.00 0.00 C ATOM 960 CD ARG A 61 10.177 8.642 -2.524 1.00 0.00 C ATOM 961 NE ARG A 61 11.594 8.952 -2.699 1.00 0.00 N ATOM 962 CZ ARG A 61 12.432 8.190 -3.393 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.999 7.081 -3.975 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.707 8.539 -3.507 1.00 0.00 N ATOM 0 H ARG A 61 6.919 11.162 -0.555 1.00 0.00 H new ATOM 0 HA ARG A 61 7.811 11.661 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.406 9.184 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.802 9.093 -3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.779 10.751 -2.527 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.501 9.973 -0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.069 7.836 -1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.766 8.279 -3.466 1.00 0.00 H new ATOM 0 HE ARG A 61 11.960 9.799 -2.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.019 6.810 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.645 6.498 -4.507 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.044 9.393 -3.062 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.350 7.954 -4.040 1.00 0.00 H new ATOM 978 N TYR A 62 4.792 10.803 -2.489 1.00 0.00 N ATOM 979 CA TYR A 62 3.444 10.584 -2.999 1.00 0.00 C ATOM 980 C TYR A 62 2.669 11.897 -3.070 1.00 0.00 C ATOM 981 O TYR A 62 2.055 12.323 -2.092 1.00 0.00 O ATOM 982 CB TYR A 62 2.696 9.586 -2.113 1.00 0.00 C ATOM 983 CG TYR A 62 3.443 8.288 -1.901 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.129 7.679 -2.945 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.462 7.671 -0.657 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.811 6.493 -2.755 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.144 6.486 -0.458 1.00 0.00 C ATOM 988 CZ TYR A 62 4.816 5.901 -1.509 1.00 0.00 C ATOM 989 OH TYR A 62 5.496 4.720 -1.317 1.00 0.00 O ATOM 0 H TYR A 62 4.843 10.945 -1.480 1.00 0.00 H new ATOM 0 HA TYR A 62 3.526 10.175 -4.006 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.502 10.047 -1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.727 9.369 -2.562 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.129 8.141 -3.921 1.00 0.00 H new ATOM 0 HD2 TYR A 62 2.935 8.125 0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.337 6.032 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.150 6.021 0.517 1.00 0.00 H new ATOM 0 HH TYR A 62 5.708 4.320 -2.186 1.00 0.00 H new ATOM 999 N LEU A 63 2.701 12.532 -4.237 1.00 0.00 N ATOM 1000 CA LEU A 63 2.002 13.797 -4.439 1.00 0.00 C ATOM 1001 C LEU A 63 0.599 13.561 -4.986 1.00 0.00 C ATOM 1002 O LEU A 63 -0.299 14.381 -4.796 1.00 0.00 O ATOM 1003 CB LEU A 63 2.792 14.692 -5.396 1.00 0.00 C ATOM 1004 CG LEU A 63 4.238 14.988 -4.998 1.00 0.00 C ATOM 1005 CD1 LEU A 63 5.097 15.215 -6.232 1.00 0.00 C ATOM 1006 CD2 LEU A 63 4.300 16.197 -4.075 1.00 0.00 C ATOM 0 H LEU A 63 3.203 12.192 -5.057 1.00 0.00 H new ATOM 0 HA LEU A 63 1.917 14.295 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.796 14.223 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.263 15.639 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 63 4.630 14.124 -4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.123 15.424 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.079 14.322 -6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.706 16.061 -6.797 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.337 16.393 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.889 17.067 -4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.719 15.998 -3.175 1.00 0.00 H new ATOM 1018 N ASN A 64 0.415 12.433 -5.666 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.880 12.089 -6.240 1.00 0.00 C ATOM 1020 C ASN A 64 -1.361 10.736 -5.725 1.00 0.00 C ATOM 1021 O ASN A 64 -0.584 9.784 -5.627 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.794 12.065 -7.768 1.00 0.00 C ATOM 1023 CG ASN A 64 0.122 13.144 -8.312 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.287 14.292 -8.482 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.368 12.777 -8.590 1.00 0.00 N ATOM 0 H ASN A 64 1.147 11.742 -5.832 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.598 12.850 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.435 11.089 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.792 12.194 -8.188 1.00 0.00 H new ATOM 0 HD21 ASN A 64 2.030 13.459 -8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.663 11.813 -8.433 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.646 10.656 -5.397 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.230 9.419 -4.891 1.00 0.00 C ATOM 1034 C PHE A 65 -2.784 8.225 -5.728 1.00 0.00 C ATOM 1035 O PHE A 65 -2.432 7.174 -5.192 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.758 9.515 -4.892 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.423 8.478 -4.034 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.545 8.664 -2.667 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -5.928 7.315 -4.595 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.158 7.710 -1.876 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.542 6.358 -3.809 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.657 6.556 -2.447 1.00 0.00 C ATOM 0 H PHE A 65 -3.303 11.433 -5.472 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.882 9.273 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.052 10.506 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.120 9.415 -5.915 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.157 9.564 -2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -5.841 7.155 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.247 7.867 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.931 5.457 -4.259 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.136 5.810 -1.830 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.802 8.393 -7.046 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.399 7.329 -7.959 1.00 0.00 C ATOM 1054 C ASP A 66 -1.126 6.646 -7.469 1.00 0.00 C ATOM 1055 O ASP A 66 -0.951 5.440 -7.642 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.183 7.890 -9.365 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.174 8.983 -9.711 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.312 8.648 -10.103 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -2.813 10.173 -9.592 1.00 0.00 O ATOM 0 H ASP A 66 -3.091 9.256 -7.506 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.198 6.588 -7.991 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.170 8.284 -9.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.269 7.083 -10.092 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.241 7.426 -6.857 1.00 0.00 N ATOM 1065 CA ASP A 67 1.017 6.895 -6.342 1.00 0.00 C ATOM 1066 C ASP A 67 0.784 6.078 -5.075 1.00 0.00 C ATOM 1067 O ASP A 67 1.087 4.886 -5.029 1.00 0.00 O ATOM 1068 CB ASP A 67 1.996 8.036 -6.056 1.00 0.00 C ATOM 1069 CG ASP A 67 3.443 7.607 -6.201 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.758 6.454 -5.838 1.00 0.00 O ATOM 1071 OD2 ASP A 67 4.259 8.423 -6.678 1.00 0.00 O ATOM 0 H ASP A 67 -0.371 8.426 -6.705 1.00 0.00 H new ATOM 0 HA ASP A 67 1.445 6.240 -7.101 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.795 8.863 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.830 8.409 -5.045 1.00 0.00 H new ATOM 1076 N PHE A 68 0.244 6.728 -4.049 1.00 0.00 N ATOM 1077 CA PHE A 68 -0.028 6.062 -2.781 1.00 0.00 C ATOM 1078 C PHE A 68 -0.847 4.793 -2.997 1.00 0.00 C ATOM 1079 O PHE A 68 -0.864 3.902 -2.149 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.772 7.007 -1.834 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.041 6.411 -0.482 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.118 6.539 0.543 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.218 5.723 -0.235 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.362 5.991 1.788 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.469 5.172 1.008 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.540 5.307 2.021 1.00 0.00 C ATOM 0 H PHE A 68 -0.014 7.715 -4.071 1.00 0.00 H new ATOM 0 HA PHE A 68 0.926 5.785 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.188 7.919 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.719 7.295 -2.290 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.804 7.074 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.948 5.616 -1.023 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.367 6.097 2.578 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.390 4.637 1.186 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.734 4.879 2.993 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.523 4.719 -4.140 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.345 3.560 -4.466 1.00 0.00 C ATOM 1098 C GLU A 69 -1.521 2.495 -5.187 1.00 0.00 C ATOM 1099 O GLU A 69 -1.669 1.302 -4.926 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.532 3.977 -5.338 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.092 2.848 -6.185 1.00 0.00 C ATOM 1102 CD GLU A 69 -3.426 2.754 -7.544 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -2.573 3.613 -7.849 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -3.758 1.819 -8.303 1.00 0.00 O ATOM 0 H GLU A 69 -1.517 5.447 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.719 3.138 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.323 4.366 -4.697 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.222 4.792 -5.993 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.964 1.904 -5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.164 2.996 -6.319 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.655 2.938 -6.093 1.00 0.00 N ATOM 1112 CA GLU A 70 0.191 2.024 -6.851 1.00 0.00 C ATOM 1113 C GLU A 70 1.032 1.160 -5.917 1.00 0.00 C ATOM 1114 O GLU A 70 1.000 -0.068 -5.992 1.00 0.00 O ATOM 1115 CB GLU A 70 1.102 2.804 -7.800 1.00 0.00 C ATOM 1116 CG GLU A 70 2.212 1.964 -8.408 1.00 0.00 C ATOM 1117 CD GLU A 70 2.678 2.495 -9.749 1.00 0.00 C ATOM 1118 OE1 GLU A 70 3.336 3.556 -9.771 1.00 0.00 O ATOM 1119 OE2 GLU A 70 2.385 1.850 -10.778 1.00 0.00 O ATOM 0 H GLU A 70 -0.521 3.923 -6.320 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.457 1.372 -7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.498 3.228 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.546 3.640 -7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.057 1.933 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.862 0.939 -8.529 1.00 0.00 H new ATOM 1126 N ASP A 71 1.786 1.811 -5.038 1.00 0.00 N ATOM 1127 CA ASP A 71 2.636 1.103 -4.087 1.00 0.00 C ATOM 1128 C ASP A 71 1.847 0.027 -3.349 1.00 0.00 C ATOM 1129 O ASP A 71 2.264 -1.130 -3.285 1.00 0.00 O ATOM 1130 CB ASP A 71 3.245 2.085 -3.084 1.00 0.00 C ATOM 1131 CG ASP A 71 2.263 3.158 -2.657 1.00 0.00 C ATOM 1132 OD1 ASP A 71 1.321 2.835 -1.905 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.438 4.322 -3.075 1.00 0.00 O ATOM 0 H ASP A 71 1.826 2.828 -4.964 1.00 0.00 H new ATOM 0 HA ASP A 71 3.439 0.621 -4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.586 1.538 -2.205 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.123 2.555 -3.527 1.00 0.00 H new ATOM 1138 N PHE A 72 0.706 0.415 -2.790 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.141 -0.516 -2.053 1.00 0.00 C ATOM 1140 C PHE A 72 -0.476 -1.736 -2.905 1.00 0.00 C ATOM 1141 O PHE A 72 -0.469 -2.867 -2.420 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.429 0.177 -1.607 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.513 -0.778 -1.195 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -3.309 -1.394 -2.146 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -2.734 -1.061 0.144 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -4.308 -2.274 -1.770 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -3.730 -1.940 0.526 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.517 -2.548 -0.433 1.00 0.00 C ATOM 0 H PHE A 72 0.346 1.368 -2.833 1.00 0.00 H new ATOM 0 HA PHE A 72 0.408 -0.849 -1.172 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.204 0.841 -0.772 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.797 0.802 -2.421 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.148 -1.185 -3.193 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -2.121 -0.589 0.897 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.924 -2.746 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -3.893 -2.151 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.295 -3.237 -0.137 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.769 -1.500 -4.180 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.108 -2.579 -5.100 1.00 0.00 C ATOM 1160 C ASN A 73 0.046 -3.568 -5.226 1.00 0.00 C ATOM 1161 O ASN A 73 -0.167 -4.777 -5.333 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.461 -2.011 -6.476 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.937 -1.690 -6.608 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.787 -2.578 -6.529 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -3.250 -0.416 -6.812 1.00 0.00 N ATOM 0 H ASN A 73 -0.778 -0.570 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.973 -3.107 -4.700 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.878 -1.107 -6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.178 -2.729 -7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -4.227 -0.140 -6.910 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.513 0.287 -6.871 1.00 0.00 H new ATOM 1172 N LEU A 74 1.268 -3.049 -5.212 1.00 0.00 N ATOM 1173 CA LEU A 74 2.457 -3.886 -5.324 1.00 0.00 C ATOM 1174 C LEU A 74 2.555 -4.853 -4.149 1.00 0.00 C ATOM 1175 O LEU A 74 2.818 -6.042 -4.330 1.00 0.00 O ATOM 1176 CB LEU A 74 3.714 -3.016 -5.390 1.00 0.00 C ATOM 1177 CG LEU A 74 4.036 -2.405 -6.755 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.157 -1.385 -6.631 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.409 -3.493 -7.752 1.00 0.00 C ATOM 0 H LEU A 74 1.462 -2.051 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 74 2.376 -4.467 -6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.610 -2.207 -4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.566 -3.618 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 74 3.146 -1.894 -7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.373 -0.961 -7.612 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.852 -0.590 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.051 -1.872 -6.242 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.635 -3.040 -8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.284 -4.033 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.575 -4.186 -7.863 1.00 0.00 H new ATOM 1191 N ILE A 75 2.340 -4.335 -2.944 1.00 0.00 N ATOM 1192 CA ILE A 75 2.401 -5.153 -1.739 1.00 0.00 C ATOM 1193 C ILE A 75 1.626 -6.454 -1.918 1.00 0.00 C ATOM 1194 O ILE A 75 2.060 -7.514 -1.469 1.00 0.00 O ATOM 1195 CB ILE A 75 1.841 -4.398 -0.518 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.642 -3.119 -0.270 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.865 -5.292 0.713 1.00 0.00 C ATOM 1198 CD1 ILE A 75 1.954 -2.146 0.660 1.00 0.00 C ATOM 0 H ILE A 75 2.122 -3.353 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 75 3.453 -5.381 -1.564 1.00 0.00 H new ATOM 0 HB ILE A 75 0.807 -4.122 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.613 -3.384 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.829 -2.626 -1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.467 -4.745 1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.255 -6.177 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.891 -5.595 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.579 -1.263 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.995 -1.852 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.791 -2.621 1.628 1.00 0.00 H new ATOM 1210 N VAL A 76 0.476 -6.365 -2.579 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.359 -7.536 -2.821 1.00 0.00 C ATOM 1212 C VAL A 76 0.079 -8.272 -4.082 1.00 0.00 C ATOM 1213 O VAL A 76 0.260 -9.490 -4.071 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.843 -7.148 -2.956 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.701 -8.386 -3.169 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.304 -6.374 -1.731 1.00 0.00 C ATOM 0 H VAL A 76 0.101 -5.495 -2.956 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.240 -8.194 -1.960 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.955 -6.504 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.747 -8.092 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.385 -8.896 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.587 -9.058 -2.318 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.355 -6.108 -1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.179 -6.992 -0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.709 -5.467 -1.629 1.00 0.00 H new ATOM 1226 N SER A 77 0.250 -7.526 -5.168 1.00 0.00 N ATOM 1227 CA SER A 77 0.663 -8.108 -6.439 1.00 0.00 C ATOM 1228 C SER A 77 1.959 -8.896 -6.279 1.00 0.00 C ATOM 1229 O SER A 77 1.969 -10.122 -6.378 1.00 0.00 O ATOM 1230 CB SER A 77 0.848 -7.012 -7.491 1.00 0.00 C ATOM 1231 OG SER A 77 0.872 -7.559 -8.798 1.00 0.00 O ATOM 0 H SER A 77 0.109 -6.516 -5.193 1.00 0.00 H new ATOM 0 HA SER A 77 -0.120 -8.790 -6.769 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.038 -6.287 -7.412 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.777 -6.474 -7.301 1.00 0.00 H new ATOM 0 HG SER A 77 0.989 -6.839 -9.452 1.00 0.00 H new ATOM 1237 N ASN A 78 3.053 -8.182 -6.030 1.00 0.00 N ATOM 1238 CA ASN A 78 4.355 -8.815 -5.855 1.00 0.00 C ATOM 1239 C ASN A 78 4.219 -10.154 -5.139 1.00 0.00 C ATOM 1240 O ASN A 78 4.925 -11.113 -5.454 1.00 0.00 O ATOM 1241 CB ASN A 78 5.291 -7.894 -5.067 1.00 0.00 C ATOM 1242 CG ASN A 78 5.695 -6.666 -5.859 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.842 -6.721 -7.080 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.878 -5.549 -5.165 1.00 0.00 N ATOM 0 H ASN A 78 3.063 -7.166 -5.945 1.00 0.00 H new ATOM 0 HA ASN A 78 4.779 -8.995 -6.843 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.799 -7.583 -4.145 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.185 -8.448 -4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.152 -4.691 -5.643 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.745 -5.549 -4.154 1.00 0.00 H new ATOM 1251 N CYS A 79 3.307 -10.212 -4.174 1.00 0.00 N ATOM 1252 CA CYS A 79 3.078 -11.435 -3.412 1.00 0.00 C ATOM 1253 C CYS A 79 2.314 -12.460 -4.245 1.00 0.00 C ATOM 1254 O CYS A 79 2.687 -13.631 -4.301 1.00 0.00 O ATOM 1255 CB CYS A 79 2.304 -11.123 -2.130 1.00 0.00 C ATOM 1256 SG CYS A 79 2.619 -12.282 -0.778 1.00 0.00 S ATOM 0 H CYS A 79 2.715 -9.428 -3.901 1.00 0.00 H new ATOM 0 HA CYS A 79 4.048 -11.858 -3.149 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.561 -10.117 -1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.237 -11.123 -2.353 1.00 0.00 H new ATOM 0 HG CYS A 79 1.541 -12.421 -0.066 1.00 0.00 H new ATOM 1262 N LEU A 80 1.241 -12.010 -4.888 1.00 0.00 N ATOM 1263 CA LEU A 80 0.423 -12.889 -5.717 1.00 0.00 C ATOM 1264 C LEU A 80 1.242 -13.473 -6.864 1.00 0.00 C ATOM 1265 O LEU A 80 0.935 -14.550 -7.375 1.00 0.00 O ATOM 1266 CB LEU A 80 -0.779 -12.123 -6.272 1.00 0.00 C ATOM 1267 CG LEU A 80 -1.825 -11.682 -5.247 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -2.808 -10.706 -5.874 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.557 -12.890 -4.679 1.00 0.00 C ATOM 0 H LEU A 80 0.918 -11.043 -4.851 1.00 0.00 H new ATOM 0 HA LEU A 80 0.068 -13.710 -5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.412 -11.238 -6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.271 -12.748 -7.017 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.314 -11.175 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.545 -10.403 -5.130 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.271 -9.827 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.314 -11.187 -6.711 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.297 -12.558 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.056 -13.426 -5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.842 -13.553 -4.192 1.00 0.00 H new ATOM 1281 N LYS A 81 2.287 -12.756 -7.264 1.00 0.00 N ATOM 1282 CA LYS A 81 3.153 -13.203 -8.349 1.00 0.00 C ATOM 1283 C LYS A 81 4.280 -14.083 -7.817 1.00 0.00 C ATOM 1284 O LYS A 81 4.706 -15.029 -8.478 1.00 0.00 O ATOM 1285 CB LYS A 81 3.737 -11.999 -9.092 1.00 0.00 C ATOM 1286 CG LYS A 81 5.098 -12.269 -9.710 1.00 0.00 C ATOM 1287 CD LYS A 81 5.441 -11.240 -10.774 1.00 0.00 C ATOM 1288 CE LYS A 81 6.780 -11.541 -11.430 1.00 0.00 C ATOM 1289 NZ LYS A 81 6.825 -11.067 -12.841 1.00 0.00 N ATOM 0 H LYS A 81 2.555 -11.862 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 81 2.552 -13.792 -9.042 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.044 -11.696 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 81 3.821 -11.161 -8.400 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.861 -12.257 -8.932 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.107 -13.266 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.658 -11.225 -11.533 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.470 -10.247 -10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.578 -11.065 -10.861 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.965 -12.615 -11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.753 -11.291 -13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.079 -11.540 -13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.674 -10.038 -12.867 1.00 0.00 H new ATOM 1303 N TYR A 82 4.758 -13.764 -6.619 1.00 0.00 N ATOM 1304 CA TYR A 82 5.836 -14.525 -6.000 1.00 0.00 C ATOM 1305 C TYR A 82 5.332 -15.874 -5.499 1.00 0.00 C ATOM 1306 O TYR A 82 5.746 -16.924 -5.988 1.00 0.00 O ATOM 1307 CB TYR A 82 6.446 -13.734 -4.842 1.00 0.00 C ATOM 1308 CG TYR A 82 7.881 -14.106 -4.543 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.823 -14.196 -5.560 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.295 -14.368 -3.242 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.134 -14.537 -5.292 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.605 -14.709 -2.964 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.520 -14.792 -3.993 1.00 0.00 C ATOM 1314 OH TYR A 82 11.826 -15.131 -3.722 1.00 0.00 O ATOM 0 H TYR A 82 4.416 -12.984 -6.058 1.00 0.00 H new ATOM 0 HA TYR A 82 6.602 -14.702 -6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.396 -12.670 -5.074 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.844 -13.894 -3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.525 -13.996 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.581 -14.304 -2.435 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.853 -14.604 -6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.910 -14.909 -1.948 1.00 0.00 H new ATOM 0 HH TYR A 82 12.387 -14.917 -4.497 1.00 0.00 H new ATOM 1324 N ASN A 83 4.435 -15.837 -4.519 1.00 0.00 N ATOM 1325 CA ASN A 83 3.874 -17.057 -3.950 1.00 0.00 C ATOM 1326 C ASN A 83 2.552 -17.414 -4.625 1.00 0.00 C ATOM 1327 O ASN A 83 2.106 -16.725 -5.541 1.00 0.00 O ATOM 1328 CB ASN A 83 3.661 -16.892 -2.444 1.00 0.00 C ATOM 1329 CG ASN A 83 4.812 -16.166 -1.774 1.00 0.00 C ATOM 1330 OD1 ASN A 83 5.872 -16.746 -1.539 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.606 -14.892 -1.463 1.00 0.00 N ATOM 0 H ASN A 83 4.081 -14.976 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 83 4.582 -17.868 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.737 -16.342 -2.269 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.539 -17.874 -1.987 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.343 -14.352 -1.010 1.00 0.00 H new ATOM 0 HD22 ASN A 83 3.711 -14.453 -1.677 1.00 0.00 H new ATOM 1338 N ALA A 84 1.932 -18.496 -4.165 1.00 0.00 N ATOM 1339 CA ALA A 84 0.661 -18.942 -4.722 1.00 0.00 C ATOM 1340 C ALA A 84 -0.411 -19.031 -3.641 1.00 0.00 C ATOM 1341 O ALA A 84 -0.104 -19.112 -2.451 1.00 0.00 O ATOM 1342 CB ALA A 84 0.832 -20.288 -5.411 1.00 0.00 C ATOM 0 H ALA A 84 2.289 -19.079 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 84 0.336 -18.207 -5.459 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.124 -20.610 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.561 -20.195 -6.216 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.182 -21.025 -4.688 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.671 -19.016 -4.062 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.791 -19.096 -3.131 1.00 0.00 C ATOM 1350 C LYS A 85 -2.524 -20.137 -2.049 1.00 0.00 C ATOM 1351 O LYS A 85 -2.957 -19.984 -0.905 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.080 -19.440 -3.878 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.404 -18.476 -5.008 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.125 -19.175 -6.147 1.00 0.00 C ATOM 1355 CE LYS A 85 -4.213 -20.159 -6.864 1.00 0.00 C ATOM 1356 NZ LYS A 85 -4.820 -20.657 -8.130 1.00 0.00 N ATOM 0 H LYS A 85 -1.943 -18.949 -5.043 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.905 -18.122 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.997 -20.448 -4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.909 -19.449 -3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.024 -17.664 -4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.483 -18.027 -5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.996 -19.702 -5.758 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.491 -18.433 -6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.260 -19.677 -7.083 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.000 -21.002 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.168 -21.325 -8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.717 -21.139 -7.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.999 -19.855 -8.768 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.810 -21.195 -2.415 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.485 -22.262 -1.475 1.00 0.00 C ATOM 1372 C ASP A 86 -0.795 -21.701 -0.235 1.00 0.00 C ATOM 1373 O ASP A 86 -1.102 -22.093 0.892 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.588 -23.306 -2.144 1.00 0.00 C ATOM 1375 CG ASP A 86 -1.384 -24.367 -2.876 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -2.342 -24.907 -2.282 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -1.051 -24.658 -4.044 1.00 0.00 O ATOM 0 H ASP A 86 -1.445 -21.337 -3.357 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.416 -22.738 -1.168 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.082 -22.809 -2.846 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.037 -23.781 -1.388 1.00 0.00 H new ATOM 1382 N THR A 87 0.141 -20.781 -0.450 1.00 0.00 N ATOM 1383 CA THR A 87 0.875 -20.168 0.649 1.00 0.00 C ATOM 1384 C THR A 87 -0.020 -19.236 1.457 1.00 0.00 C ATOM 1385 O THR A 87 -1.167 -18.986 1.087 1.00 0.00 O ATOM 1386 CB THR A 87 2.093 -19.375 0.137 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.659 -18.297 -0.699 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.039 -20.278 -0.641 1.00 0.00 C ATOM 0 H THR A 87 0.408 -20.445 -1.375 1.00 0.00 H new ATOM 0 HA THR A 87 1.221 -20.980 1.289 1.00 0.00 H new ATOM 0 HB THR A 87 2.626 -18.974 0.999 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.282 -18.658 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.891 -19.696 -0.992 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.391 -21.081 0.007 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.514 -20.705 -1.496 1.00 0.00 H new ATOM 1396 N ILE A 88 0.512 -18.725 2.563 1.00 0.00 N ATOM 1397 CA ILE A 88 -0.240 -17.819 3.423 1.00 0.00 C ATOM 1398 C ILE A 88 -0.178 -16.387 2.900 1.00 0.00 C ATOM 1399 O ILE A 88 -1.198 -15.806 2.528 1.00 0.00 O ATOM 1400 CB ILE A 88 0.286 -17.849 4.870 1.00 0.00 C ATOM 1401 CG1 ILE A 88 -0.345 -19.010 5.641 1.00 0.00 C ATOM 1402 CG2 ILE A 88 -0.001 -16.526 5.565 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.057 -19.056 7.099 1.00 0.00 C ATOM 0 H ILE A 88 1.460 -18.923 2.884 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.275 -18.162 3.415 1.00 0.00 H new ATOM 0 HB ILE A 88 1.366 -17.998 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.430 -18.933 5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.062 -19.949 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.377 -16.562 6.587 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.491 -15.717 5.025 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.076 -16.350 5.582 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.427 -19.904 7.583 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.139 -19.164 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.251 -18.133 7.591 1.00 0.00 H new ATOM 1415 N PHE A 89 1.025 -15.825 2.875 1.00 0.00 N ATOM 1416 CA PHE A 89 1.221 -14.461 2.397 1.00 0.00 C ATOM 1417 C PHE A 89 0.319 -14.168 1.202 1.00 0.00 C ATOM 1418 O PHE A 89 -0.042 -13.018 0.949 1.00 0.00 O ATOM 1419 CB PHE A 89 2.685 -14.239 2.011 1.00 0.00 C ATOM 1420 CG PHE A 89 3.652 -15.029 2.845 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.517 -15.081 4.224 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.695 -15.722 2.252 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.405 -15.808 4.993 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.586 -16.450 3.016 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.441 -16.494 4.389 1.00 0.00 C ATOM 0 H PHE A 89 1.879 -16.292 3.180 1.00 0.00 H new ATOM 0 HA PHE A 89 0.957 -13.778 3.205 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.820 -14.505 0.963 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.920 -13.179 2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.709 -14.547 4.702 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.813 -15.693 1.179 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.289 -15.840 6.066 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.395 -16.984 2.540 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.136 -17.063 4.989 1.00 0.00 H new ATOM 1435 N TYR A 90 -0.043 -15.216 0.470 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.900 -15.072 -0.700 1.00 0.00 C ATOM 1437 C TYR A 90 -2.341 -14.788 -0.288 1.00 0.00 C ATOM 1438 O TYR A 90 -2.886 -13.725 -0.587 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.844 -16.337 -1.558 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.371 -16.140 -2.962 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.706 -15.828 -3.187 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.532 -16.265 -4.063 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.190 -15.648 -4.468 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.007 -16.086 -5.348 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.338 -15.778 -5.545 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.817 -15.599 -6.822 1.00 0.00 O ATOM 0 H TYR A 90 0.244 -16.175 0.667 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.535 -14.228 -1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.188 -16.684 -1.612 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.420 -17.123 -1.070 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.376 -15.725 -2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.510 -16.506 -3.911 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.231 -15.407 -4.626 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.341 -16.186 -6.193 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.088 -15.725 -7.465 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.953 -15.746 0.402 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.331 -15.600 0.856 1.00 0.00 C ATOM 1458 C ARG A 91 -4.516 -14.291 1.618 1.00 0.00 C ATOM 1459 O ARG A 91 -5.520 -13.600 1.448 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.724 -16.781 1.745 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.751 -18.112 1.012 1.00 0.00 C ATOM 1462 CD ARG A 91 -5.305 -19.221 1.894 1.00 0.00 C ATOM 1463 NE ARG A 91 -5.971 -20.260 1.112 1.00 0.00 N ATOM 1464 CZ ARG A 91 -6.269 -21.463 1.591 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -5.961 -21.777 2.842 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -6.876 -22.354 0.818 1.00 0.00 N ATOM 0 H ARG A 91 -2.516 -16.631 0.659 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.978 -15.584 -0.021 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.023 -16.848 2.577 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.708 -16.591 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.361 -18.022 0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.743 -18.372 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -4.494 -19.665 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.010 -18.797 2.609 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.221 -20.050 0.146 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.494 -21.094 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.191 -22.701 3.207 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -7.114 -22.116 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -7.104 -23.277 1.186 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.542 -13.958 2.457 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.597 -12.732 3.244 1.00 0.00 C ATOM 1482 C ALA A 92 -3.636 -11.503 2.343 1.00 0.00 C ATOM 1483 O ALA A 92 -4.338 -10.534 2.629 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.407 -12.659 4.191 1.00 0.00 C ATOM 0 H ALA A 92 -2.705 -14.520 2.610 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.514 -12.747 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.461 -11.739 4.772 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.425 -13.516 4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.482 -12.671 3.615 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.876 -11.549 1.254 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.825 -10.439 0.310 1.00 0.00 C ATOM 1492 C ALA A 93 -4.152 -10.280 -0.423 1.00 0.00 C ATOM 1493 O ALA A 93 -4.621 -9.164 -0.646 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.692 -10.643 -0.684 1.00 0.00 C ATOM 0 H ALA A 93 -2.287 -12.343 1.003 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.639 -9.524 0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.666 -9.807 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.744 -10.698 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.853 -11.570 -1.234 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.755 -11.405 -0.796 1.00 0.00 N ATOM 1501 CA VAL A 94 -6.029 -11.391 -1.505 1.00 0.00 C ATOM 1502 C VAL A 94 -7.076 -10.591 -0.737 1.00 0.00 C ATOM 1503 O VAL A 94 -7.788 -9.769 -1.312 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.559 -12.819 -1.736 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -8.052 -12.795 -2.023 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.801 -13.490 -2.872 1.00 0.00 C ATOM 0 H VAL A 94 -4.381 -12.337 -0.619 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.849 -10.918 -2.470 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.397 -13.399 -0.828 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.408 -13.813 -2.183 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.578 -12.356 -1.176 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.241 -12.199 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.188 -14.498 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.930 -12.912 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.741 -13.542 -2.622 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.164 -10.840 0.567 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.124 -10.144 1.414 1.00 0.00 C ATOM 1518 C ARG A 95 -7.842 -8.644 1.437 1.00 0.00 C ATOM 1519 O ARG A 95 -8.725 -7.831 1.163 1.00 0.00 O ATOM 1520 CB ARG A 95 -8.081 -10.704 2.837 1.00 0.00 C ATOM 1521 CG ARG A 95 -9.012 -9.988 3.801 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.513 -10.925 4.890 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.755 -11.592 4.508 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.171 -12.733 5.046 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.448 -13.330 5.984 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.312 -13.279 4.647 1.00 0.00 N ATOM 0 H ARG A 95 -6.582 -11.518 1.058 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.119 -10.303 0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.343 -11.762 2.810 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.060 -10.638 3.214 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.490 -9.146 4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.860 -9.578 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.750 -11.674 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.672 -10.361 5.809 1.00 0.00 H new ATOM 0 HE ARG A 95 -11.334 -11.158 3.789 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.570 -12.913 6.294 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -10.770 -14.206 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.871 -12.823 3.926 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.630 -14.155 5.061 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.605 -8.285 1.767 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.206 -6.884 1.827 1.00 0.00 C ATOM 1542 C LEU A 96 -6.637 -6.140 0.566 1.00 0.00 C ATOM 1543 O LEU A 96 -7.196 -5.046 0.640 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.691 -6.772 2.005 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.158 -7.055 3.410 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.639 -7.134 3.398 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.631 -5.986 4.385 1.00 0.00 C ATOM 0 H LEU A 96 -5.862 -8.945 1.997 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.702 -6.427 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.212 -7.462 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.385 -5.766 1.718 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.549 -8.018 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.277 -7.336 4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.322 -7.936 2.731 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.228 -6.187 3.048 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.242 -6.203 5.380 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.269 -5.011 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.721 -5.977 4.415 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.376 -6.743 -0.589 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.737 -6.139 -1.865 1.00 0.00 C ATOM 1561 C ARG A 97 -8.250 -5.969 -1.977 1.00 0.00 C ATOM 1562 O ARG A 97 -8.734 -4.971 -2.510 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.223 -6.995 -3.023 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.613 -6.464 -4.394 1.00 0.00 C ATOM 1565 CD ARG A 97 -5.664 -6.960 -5.473 1.00 0.00 C ATOM 1566 NE ARG A 97 -5.854 -6.251 -6.737 1.00 0.00 N ATOM 1567 CZ ARG A 97 -5.201 -6.551 -7.854 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.320 -7.542 -7.864 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -5.428 -5.860 -8.963 1.00 0.00 N ATOM 0 H ARG A 97 -5.916 -7.650 -0.667 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.272 -5.154 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.136 -7.058 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.608 -8.009 -2.913 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.630 -6.776 -4.631 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.610 -5.374 -4.378 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.635 -6.833 -5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.819 -8.028 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.525 -5.483 -6.763 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.143 -8.075 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.820 -7.771 -8.723 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.105 -5.097 -8.959 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.926 -6.092 -9.820 1.00 0.00 H new ATOM 1583 N GLU A 98 -8.989 -6.951 -1.471 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.446 -6.910 -1.516 1.00 0.00 C ATOM 1585 C GLU A 98 -10.991 -5.866 -0.546 1.00 0.00 C ATOM 1586 O GLU A 98 -11.587 -4.871 -0.959 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.028 -8.285 -1.183 1.00 0.00 C ATOM 1588 CG GLU A 98 -10.929 -9.281 -2.325 1.00 0.00 C ATOM 1589 CD GLU A 98 -11.823 -8.918 -3.495 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -13.037 -9.198 -3.424 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -11.306 -8.352 -4.482 1.00 0.00 O ATOM 0 H GLU A 98 -8.603 -7.784 -1.026 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.745 -6.633 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.509 -8.689 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.075 -8.169 -0.903 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -9.895 -9.336 -2.666 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.198 -10.273 -1.961 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.783 -6.101 0.746 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.254 -5.181 1.775 1.00 0.00 C ATOM 1600 C GLN A 99 -10.562 -3.828 1.654 1.00 0.00 C ATOM 1601 O GLN A 99 -11.216 -2.789 1.586 1.00 0.00 O ATOM 1602 CB GLN A 99 -11.009 -5.771 3.165 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.622 -7.148 3.358 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.852 -7.485 4.818 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.954 -6.596 5.664 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.935 -8.775 5.123 1.00 0.00 N ATOM 0 H GLN A 99 -10.292 -6.920 1.105 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.325 -5.034 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.935 -5.833 3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.416 -5.093 3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.571 -7.197 2.824 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -10.967 -7.898 2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.845 -9.479 4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -12.089 -9.062 6.090 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.233 -3.849 1.629 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.473 -2.617 1.517 1.00 0.00 C ATOM 1617 C GLY A 100 -9.041 -1.679 0.470 1.00 0.00 C ATOM 1618 O GLY A 100 -8.929 -0.460 0.593 1.00 0.00 O ATOM 0 H GLY A 100 -8.669 -4.697 1.684 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.460 -2.113 2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.439 -2.853 1.266 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.651 -2.249 -0.565 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.228 -1.441 -1.624 1.00 0.00 C ATOM 1624 C GLY A 101 -11.115 -0.334 -1.090 1.00 0.00 C ATOM 1625 O GLY A 101 -11.052 0.802 -1.561 1.00 0.00 O ATOM 0 H GLY A 101 -9.756 -3.256 -0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.427 -1.005 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.810 -2.080 -2.289 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.944 -0.665 -0.106 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.847 0.310 0.492 1.00 0.00 C ATOM 1631 C ALA A 102 -12.071 1.436 1.167 1.00 0.00 C ATOM 1632 O ALA A 102 -12.563 2.559 1.285 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.771 -0.369 1.492 1.00 0.00 C ATOM 0 H ALA A 102 -12.009 -1.601 0.294 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.449 0.746 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.440 0.372 1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.359 -1.133 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.177 -0.833 2.279 1.00 0.00 H new ATOM 1639 N VAL A 103 -10.856 1.128 1.609 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.012 2.115 2.273 1.00 0.00 C ATOM 1641 C VAL A 103 -9.403 3.084 1.265 1.00 0.00 C ATOM 1642 O VAL A 103 -9.259 4.276 1.542 1.00 0.00 O ATOM 1643 CB VAL A 103 -8.878 1.440 3.067 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -7.887 2.478 3.570 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.447 0.631 4.223 1.00 0.00 C ATOM 0 H VAL A 103 -10.434 0.204 1.520 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.652 2.666 2.963 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.348 0.759 2.402 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.093 1.982 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.456 3.011 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.401 3.186 4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.632 0.161 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.003 1.290 4.890 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.114 -0.138 3.835 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.048 2.566 0.094 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.455 3.385 -0.957 1.00 0.00 C ATOM 1657 C LEU A 104 -9.529 4.155 -1.718 1.00 0.00 C ATOM 1658 O LEU A 104 -9.277 5.243 -2.237 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.656 2.510 -1.925 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.411 1.836 -1.348 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.915 0.743 -2.282 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.316 2.864 -1.099 1.00 0.00 C ATOM 0 H LEU A 104 -9.161 1.582 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.783 4.103 -0.487 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.317 1.735 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.352 3.124 -2.773 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.677 1.379 -0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.028 0.274 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.695 -0.007 -2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.665 1.177 -3.250 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.437 2.367 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.052 3.350 -2.039 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.673 3.612 -0.392 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.728 3.586 -1.777 1.00 0.00 N ATOM 1675 CA ARG A 105 -11.841 4.220 -2.475 1.00 0.00 C ATOM 1676 C ARG A 105 -12.450 5.333 -1.627 1.00 0.00 C ATOM 1677 O ARG A 105 -12.840 6.378 -2.146 1.00 0.00 O ATOM 1678 CB ARG A 105 -12.912 3.183 -2.818 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.638 2.430 -4.109 1.00 0.00 C ATOM 1680 CD ARG A 105 -13.815 1.551 -4.503 1.00 0.00 C ATOM 1681 NE ARG A 105 -13.974 0.412 -3.603 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.831 -0.580 -3.817 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -15.603 -0.573 -4.895 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -14.916 -1.583 -2.952 1.00 0.00 N ATOM 0 H ARG A 105 -10.954 2.688 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.458 4.656 -3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -12.989 2.468 -1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -13.878 3.682 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.430 3.141 -4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -11.747 1.814 -3.990 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.728 2.146 -4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -13.673 1.191 -5.522 1.00 0.00 H new ATOM 0 HE ARG A 105 -13.395 0.376 -2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -15.540 0.196 -5.563 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -16.260 -1.336 -5.057 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.323 -1.592 -2.122 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.574 -2.344 -3.117 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.528 5.100 -0.320 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.090 6.083 0.598 1.00 0.00 C ATOM 1700 C GLN A 106 -12.144 7.266 0.775 1.00 0.00 C ATOM 1701 O GLN A 106 -12.574 8.376 1.089 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.378 5.439 1.955 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.127 5.144 2.767 1.00 0.00 C ATOM 1704 CD GLN A 106 -11.526 6.390 3.384 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -12.236 7.343 3.706 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -10.208 6.390 3.553 1.00 0.00 N ATOM 0 H GLN A 106 -12.209 4.240 0.126 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.024 6.448 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.027 6.099 2.530 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -13.926 4.510 1.798 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.370 4.433 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -11.386 4.667 2.126 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.658 5.578 3.272 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.747 7.202 3.964 1.00 0.00 H new ATOM 1715 N ALA A 107 -10.854 7.021 0.573 1.00 0.00 N ATOM 1716 CA ALA A 107 -9.847 8.067 0.708 1.00 0.00 C ATOM 1717 C ALA A 107 -9.688 8.848 -0.592 1.00 0.00 C ATOM 1718 O ALA A 107 -9.574 10.073 -0.581 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.515 7.465 1.132 1.00 0.00 C ATOM 0 H ALA A 107 -10.481 6.107 0.315 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.181 8.762 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -7.772 8.257 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.633 6.959 2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.184 6.748 0.381 1.00 0.00 H new ATOM 1725 N ARG A 108 -9.680 8.131 -1.711 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.532 8.756 -3.019 1.00 0.00 C ATOM 1727 C ARG A 108 -10.476 9.947 -3.161 1.00 0.00 C ATOM 1728 O ARG A 108 -10.070 11.026 -3.593 1.00 0.00 O ATOM 1729 CB ARG A 108 -9.806 7.740 -4.128 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.273 8.163 -5.487 1.00 0.00 C ATOM 1731 CD ARG A 108 -9.840 7.298 -6.602 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.018 6.118 -6.852 1.00 0.00 N ATOM 1733 CZ ARG A 108 -9.122 4.989 -6.158 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -10.009 4.890 -5.178 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -8.338 3.958 -6.445 1.00 0.00 N ATOM 0 H ARG A 108 -9.774 7.116 -1.737 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.506 9.113 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.358 6.785 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -10.881 7.578 -4.203 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.527 9.207 -5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.185 8.095 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.851 6.986 -6.340 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -9.915 7.888 -7.516 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.326 6.162 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.613 5.681 -4.955 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.087 4.023 -4.647 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.655 4.031 -7.199 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.419 3.092 -5.912 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.737 9.743 -2.795 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.739 10.798 -2.883 1.00 0.00 C ATOM 1751 C ARG A 109 -12.291 12.040 -2.116 1.00 0.00 C ATOM 1752 O ARG A 109 -12.583 13.166 -2.516 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.080 10.305 -2.337 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.127 10.225 -0.820 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.112 9.166 -0.348 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.497 9.597 -0.508 1.00 0.00 N ATOM 1757 CZ ARG A 109 -17.538 8.774 -0.426 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -17.349 7.484 -0.186 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -18.769 9.242 -0.583 1.00 0.00 N ATOM 0 H ARG A 109 -12.089 8.856 -2.435 1.00 0.00 H new ATOM 0 HA ARG A 109 -12.858 11.064 -3.933 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -14.870 10.972 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.291 9.319 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.133 9.996 -0.436 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.411 11.195 -0.412 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -14.952 8.246 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.923 8.937 0.701 1.00 0.00 H new ATOM 0 HE ARG A 109 -16.676 10.584 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -16.404 7.121 -0.064 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -18.149 6.854 -0.123 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.918 10.234 -0.767 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -19.567 8.610 -0.520 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.580 11.823 -1.015 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.092 12.923 -0.192 1.00 0.00 C ATOM 1775 C GLN A 110 -10.066 13.758 -0.951 1.00 0.00 C ATOM 1776 O GLN A 110 -10.290 14.936 -1.225 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.476 12.387 1.102 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.384 11.431 1.857 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.075 11.382 3.341 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -10.571 10.380 3.849 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.375 12.467 4.044 1.00 0.00 N ATOM 0 H GLN A 110 -11.329 10.896 -0.672 1.00 0.00 H new ATOM 0 HA GLN A 110 -11.940 13.561 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.542 11.878 0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.226 13.227 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.422 11.733 1.716 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.283 10.431 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.792 13.275 3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.189 12.493 5.047 1.00 0.00 H new ATOM 1790 N ALA A 111 -8.940 13.137 -1.288 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.879 13.822 -2.016 1.00 0.00 C ATOM 1792 C ALA A 111 -8.453 14.701 -3.123 1.00 0.00 C ATOM 1793 O ALA A 111 -7.822 15.667 -3.549 1.00 0.00 O ATOM 1794 CB ALA A 111 -6.900 12.812 -2.596 1.00 0.00 C ATOM 0 H ALA A 111 -8.739 12.161 -1.069 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.347 14.466 -1.315 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.113 13.337 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.458 12.229 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.427 12.145 -3.279 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.652 14.359 -3.583 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.309 15.118 -4.641 1.00 0.00 C ATOM 1802 C GLU A 112 -11.108 16.281 -4.061 1.00 0.00 C ATOM 1803 O GLU A 112 -11.006 17.414 -4.530 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.230 14.207 -5.455 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.501 13.076 -6.161 1.00 0.00 C ATOM 1806 CD GLU A 112 -11.187 12.651 -7.444 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -12.429 12.527 -7.441 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -10.480 12.442 -8.453 1.00 0.00 O ATOM 0 H GLU A 112 -10.188 13.562 -3.240 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.537 15.522 -5.296 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.985 13.783 -4.793 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.757 14.807 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.482 13.390 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.430 12.220 -5.490 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.904 15.991 -3.038 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.721 17.011 -2.392 1.00 0.00 C ATOM 1817 C LYS A 113 -11.856 18.160 -1.883 1.00 0.00 C ATOM 1818 O LYS A 113 -12.313 19.299 -1.790 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.512 16.402 -1.231 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.767 16.427 0.092 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.632 15.911 1.229 1.00 0.00 C ATOM 1822 CE LYS A 113 -12.942 16.078 2.574 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.918 16.097 3.700 1.00 0.00 N ATOM 0 H LYS A 113 -12.001 15.058 -2.638 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.418 17.404 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.452 16.943 -1.119 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.765 15.371 -1.476 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.866 15.819 0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.446 17.446 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.582 16.446 1.237 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.861 14.858 1.065 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.233 15.264 2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.368 17.005 2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -13.408 16.212 4.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.579 16.889 3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.448 15.202 3.715 1.00 0.00 H new ATOM 1837 N MET A 114 -10.605 17.853 -1.556 1.00 0.00 N ATOM 1838 CA MET A 114 -9.676 18.861 -1.060 1.00 0.00 C ATOM 1839 C MET A 114 -9.727 20.119 -1.922 1.00 0.00 C ATOM 1840 O MET A 114 -9.648 21.236 -1.411 1.00 0.00 O ATOM 1841 CB MET A 114 -8.251 18.304 -1.034 1.00 0.00 C ATOM 1842 CG MET A 114 -8.087 17.094 -0.128 1.00 0.00 C ATOM 1843 SD MET A 114 -7.682 17.548 1.569 1.00 0.00 S ATOM 1844 CE MET A 114 -6.880 16.050 2.137 1.00 0.00 C ATOM 0 H MET A 114 -10.212 16.915 -1.626 1.00 0.00 H new ATOM 0 HA MET A 114 -9.974 19.125 -0.045 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.958 18.031 -2.048 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.569 19.088 -0.706 1.00 0.00 H new ATOM 0 HG2 MET A 114 -9.009 16.512 -0.134 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.302 16.451 -0.525 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.297 16.266 3.032 1.00 0.00 H new ATOM 0 HE2 MET A 114 -7.635 15.298 2.368 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.219 15.673 1.357 1.00 0.00 H new