USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 893 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 111 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 115 ASN :FLIP amide:sc= -0.261 F(o=-2.2!,f=-0.26) USER MOD Set 2.1: A 74 ASN : amide:sc= -5.96! C(o=-6!,f=-20!) USER MOD Set 2.2: A 75 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.17) USER MOD Set 3.1: A 60 TYR OH : rot 180:sc= -0.0191 USER MOD Set 3.2: A 114 LYS NZ :NH3+ 140:sc= -1.43 (180deg=-3.32!) USER MOD Set 4.1: A 9 GLN : amide:sc= -1.51 K(o=-2.6,f=-9.5!) USER MOD Set 4.2: A 12 GLN : amide:sc= -1.08 K(o=-2.6,f=-7.1!) USER MOD Single : A 11 LYS NZ :NH3+ -157:sc= -0.0481 (180deg=-0.354) USER MOD Single : A 15 GLN : amide:sc= -1.55 K(o=-1.5,f=-4!) USER MOD Single : A 17 TYR OH : rot 150:sc= -0.0583 USER MOD Single : A 20 ASN : amide:sc= -1.28! C(o=-1.3!,f=-12!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -168:sc=-0.00116 (180deg=-0.254) USER MOD Single : A 34 SER OG : rot 101:sc= 1.09 USER MOD Single : A 36 MET CE :methyl -165:sc= -3 (180deg=-3.51) USER MOD Single : A 37 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3!) USER MOD Single : A 38 LYS NZ :NH3+ -165:sc=-0.00922 (180deg=-0.199) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.00735 USER MOD Single : A 44 ASN : amide:sc= -0.238 K(o=-0.24,f=-2.2!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.0955 K(o=0.096,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ 162:sc= -0.142 (180deg=-0.835) USER MOD Single : A 79 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.18) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 102 TYR OH : rot -155:sc= -0.679 USER MOD Single : A 103 MET CE :methyl -153:sc= -0.16 (180deg=-1.02) USER MOD Single : A 104 LYS NZ :NH3+ 157:sc= -0.0365 (180deg=-0.327) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= -0.468 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 SER OG : rot -90:sc= -3.85! USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 78 N GLU A 8 110.818 -14.423 14.036 1.00 0.00 N ATOM 79 CA GLU A 8 110.361 -14.574 12.623 1.00 0.00 C ATOM 80 C GLU A 8 111.127 -13.596 11.735 1.00 0.00 C ATOM 81 O GLU A 8 111.542 -13.927 10.645 1.00 0.00 O ATOM 82 CB GLU A 8 108.861 -14.289 12.515 1.00 0.00 C ATOM 83 CG GLU A 8 108.420 -14.449 11.056 1.00 0.00 C ATOM 84 CD GLU A 8 106.898 -14.346 10.961 1.00 0.00 C ATOM 85 OE1 GLU A 8 106.264 -14.252 11.998 1.00 0.00 O ATOM 86 OE2 GLU A 8 106.392 -14.365 9.851 1.00 0.00 O ATOM 0 HA GLU A 8 110.551 -15.597 12.298 1.00 0.00 H new ATOM 0 HB2 GLU A 8 108.302 -14.973 13.153 1.00 0.00 H new ATOM 0 HB3 GLU A 8 108.645 -13.279 12.864 1.00 0.00 H new ATOM 0 HG2 GLU A 8 108.885 -13.680 10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 8 108.753 -15.412 10.669 1.00 0.00 H new ATOM 93 N GLN A 9 111.330 -12.399 12.192 1.00 0.00 N ATOM 94 CA GLN A 9 112.086 -11.417 11.370 1.00 0.00 C ATOM 95 C GLN A 9 113.554 -11.851 11.308 1.00 0.00 C ATOM 96 O GLN A 9 114.217 -11.745 10.291 1.00 0.00 O ATOM 97 CB GLN A 9 111.988 -10.037 12.021 1.00 0.00 C ATOM 98 CG GLN A 9 112.543 -8.979 11.067 1.00 0.00 C ATOM 99 CD GLN A 9 111.546 -8.749 9.931 1.00 0.00 C ATOM 100 OE1 GLN A 9 111.819 -9.073 8.793 1.00 0.00 O ATOM 101 NE2 GLN A 9 110.391 -8.202 10.194 1.00 0.00 N ATOM 0 H GLN A 9 111.007 -12.056 13.097 1.00 0.00 H new ATOM 0 HA GLN A 9 111.672 -11.373 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 9 110.950 -9.812 12.265 1.00 0.00 H new ATOM 0 HB3 GLN A 9 112.546 -10.025 12.957 1.00 0.00 H new ATOM 0 HG2 GLN A 9 112.722 -8.047 11.603 1.00 0.00 H new ATOM 0 HG3 GLN A 9 113.502 -9.304 10.664 1.00 0.00 H new ATOM 0 HE21 GLN A 9 110.161 -7.930 11.150 1.00 0.00 H new ATOM 0 HE22 GLN A 9 109.718 -8.047 9.444 1.00 0.00 H new ATOM 110 N PHE A 10 114.067 -12.321 12.411 1.00 0.00 N ATOM 111 CA PHE A 10 115.493 -12.745 12.465 1.00 0.00 C ATOM 112 C PHE A 10 115.755 -13.941 11.535 1.00 0.00 C ATOM 113 O PHE A 10 116.681 -13.925 10.743 1.00 0.00 O ATOM 114 CB PHE A 10 115.817 -13.129 13.910 1.00 0.00 C ATOM 115 CG PHE A 10 117.251 -13.563 14.019 1.00 0.00 C ATOM 116 CD1 PHE A 10 118.249 -12.617 14.286 1.00 0.00 C ATOM 117 CD2 PHE A 10 117.583 -14.913 13.864 1.00 0.00 C ATOM 118 CE1 PHE A 10 119.584 -13.023 14.391 1.00 0.00 C ATOM 119 CE2 PHE A 10 118.918 -15.319 13.970 1.00 0.00 C ATOM 120 CZ PHE A 10 119.919 -14.374 14.232 1.00 0.00 C ATOM 0 H PHE A 10 113.553 -12.430 13.286 1.00 0.00 H new ATOM 0 HA PHE A 10 116.128 -11.925 12.130 1.00 0.00 H new ATOM 0 HB2 PHE A 10 115.634 -12.281 14.570 1.00 0.00 H new ATOM 0 HB3 PHE A 10 115.159 -13.934 14.237 1.00 0.00 H new ATOM 0 HD1 PHE A 10 117.989 -11.576 14.411 1.00 0.00 H new ATOM 0 HD2 PHE A 10 116.811 -15.641 13.663 1.00 0.00 H new ATOM 0 HE1 PHE A 10 120.356 -12.295 14.594 1.00 0.00 H new ATOM 0 HE2 PHE A 10 119.177 -16.361 13.850 1.00 0.00 H new ATOM 0 HZ PHE A 10 120.949 -14.687 14.311 1.00 0.00 H new ATOM 130 N LYS A 11 114.967 -14.981 11.612 1.00 0.00 N ATOM 131 CA LYS A 11 115.221 -16.146 10.713 1.00 0.00 C ATOM 132 C LYS A 11 115.123 -15.694 9.255 1.00 0.00 C ATOM 133 O LYS A 11 115.809 -16.207 8.393 1.00 0.00 O ATOM 134 CB LYS A 11 114.228 -17.285 11.000 1.00 0.00 C ATOM 135 CG LYS A 11 112.805 -16.877 10.597 1.00 0.00 C ATOM 136 CD LYS A 11 111.806 -17.991 10.973 1.00 0.00 C ATOM 137 CE LYS A 11 111.737 -19.044 9.859 1.00 0.00 C ATOM 138 NZ LYS A 11 111.028 -18.472 8.680 1.00 0.00 N ATOM 0 H LYS A 11 114.173 -15.075 12.245 1.00 0.00 H new ATOM 0 HA LYS A 11 116.224 -16.528 10.901 1.00 0.00 H new ATOM 0 HB2 LYS A 11 114.524 -18.179 10.452 1.00 0.00 H new ATOM 0 HB3 LYS A 11 114.253 -17.538 12.060 1.00 0.00 H new ATOM 0 HG2 LYS A 11 112.530 -15.948 11.096 1.00 0.00 H new ATOM 0 HG3 LYS A 11 112.763 -16.687 9.524 1.00 0.00 H new ATOM 0 HD2 LYS A 11 112.110 -18.461 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 11 110.818 -17.562 11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 112.742 -19.357 9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 11 111.215 -19.932 10.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 110.637 -19.243 8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 110.255 -17.857 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 111.696 -17.916 8.109 1.00 0.00 H new ATOM 152 N GLN A 12 114.292 -14.725 8.967 1.00 0.00 N ATOM 153 CA GLN A 12 114.187 -14.242 7.561 1.00 0.00 C ATOM 154 C GLN A 12 115.556 -13.726 7.118 1.00 0.00 C ATOM 155 O GLN A 12 115.907 -13.766 5.960 1.00 0.00 O ATOM 156 CB GLN A 12 113.143 -13.128 7.447 1.00 0.00 C ATOM 157 CG GLN A 12 111.740 -13.736 7.510 1.00 0.00 C ATOM 158 CD GLN A 12 110.701 -12.622 7.636 1.00 0.00 C ATOM 159 OE1 GLN A 12 110.991 -11.555 8.137 1.00 0.00 O ATOM 160 NE2 GLN A 12 109.492 -12.825 7.190 1.00 0.00 N ATOM 0 H GLN A 12 113.688 -14.252 9.639 1.00 0.00 H new ATOM 0 HA GLN A 12 113.872 -15.064 6.919 1.00 0.00 H new ATOM 0 HB2 GLN A 12 113.275 -12.407 8.254 1.00 0.00 H new ATOM 0 HB3 GLN A 12 113.274 -12.586 6.510 1.00 0.00 H new ATOM 0 HG2 GLN A 12 111.548 -14.326 6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 12 111.665 -14.414 8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 12 109.248 -13.721 6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 12 108.791 -12.087 7.262 1.00 0.00 H new ATOM 169 N VAL A 13 116.343 -13.234 8.027 1.00 0.00 N ATOM 170 CA VAL A 13 117.686 -12.742 7.621 1.00 0.00 C ATOM 171 C VAL A 13 118.536 -13.941 7.195 1.00 0.00 C ATOM 172 O VAL A 13 119.285 -13.878 6.242 1.00 0.00 O ATOM 173 CB VAL A 13 118.362 -12.022 8.790 1.00 0.00 C ATOM 174 CG1 VAL A 13 119.823 -11.721 8.442 1.00 0.00 C ATOM 175 CG2 VAL A 13 117.627 -10.716 9.079 1.00 0.00 C ATOM 0 H VAL A 13 116.121 -13.151 9.019 1.00 0.00 H new ATOM 0 HA VAL A 13 117.584 -12.040 6.794 1.00 0.00 H new ATOM 0 HB VAL A 13 118.328 -12.662 9.672 1.00 0.00 H new ATOM 0 HG11 VAL A 13 120.298 -11.208 9.278 1.00 0.00 H new ATOM 0 HG12 VAL A 13 120.349 -12.654 8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 13 119.863 -11.086 7.557 1.00 0.00 H new ATOM 0 HG21 VAL A 13 118.109 -10.204 9.912 1.00 0.00 H new ATOM 0 HG22 VAL A 13 117.656 -10.079 8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 13 116.590 -10.931 9.337 1.00 0.00 H new ATOM 185 N ARG A 14 118.433 -15.036 7.897 1.00 0.00 N ATOM 186 CA ARG A 14 119.247 -16.228 7.524 1.00 0.00 C ATOM 187 C ARG A 14 118.997 -16.589 6.059 1.00 0.00 C ATOM 188 O ARG A 14 119.923 -16.788 5.300 1.00 0.00 O ATOM 189 CB ARG A 14 118.859 -17.405 8.421 1.00 0.00 C ATOM 190 CG ARG A 14 119.826 -18.569 8.196 1.00 0.00 C ATOM 191 CD ARG A 14 119.446 -19.732 9.112 1.00 0.00 C ATOM 192 NE ARG A 14 119.596 -19.308 10.533 1.00 0.00 N ATOM 193 CZ ARG A 14 120.777 -19.293 11.090 1.00 0.00 C ATOM 194 NH1 ARG A 14 121.325 -20.408 11.491 1.00 0.00 N ATOM 195 NH2 ARG A 14 121.411 -18.162 11.243 1.00 0.00 N ATOM 0 H ARG A 14 117.825 -15.157 8.707 1.00 0.00 H new ATOM 0 HA ARG A 14 120.305 -16.002 7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 14 118.881 -17.099 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 14 117.839 -17.720 8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 14 119.793 -18.887 7.154 1.00 0.00 H new ATOM 0 HG3 ARG A 14 120.848 -18.251 8.400 1.00 0.00 H new ATOM 0 HD2 ARG A 14 118.419 -20.041 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 14 120.082 -20.593 8.908 1.00 0.00 H new ATOM 0 HE ARG A 14 118.775 -19.029 11.071 1.00 0.00 H new ATOM 0 HH11 ARG A 14 120.831 -21.292 11.369 1.00 0.00 H new ATOM 0 HH12 ARG A 14 122.248 -20.395 11.926 1.00 0.00 H new ATOM 0 HH21 ARG A 14 120.984 -17.291 10.928 1.00 0.00 H new ATOM 0 HH22 ARG A 14 122.334 -18.149 11.678 1.00 0.00 H new ATOM 209 N GLN A 15 117.764 -16.672 5.644 1.00 0.00 N ATOM 210 CA GLN A 15 117.504 -17.018 4.221 1.00 0.00 C ATOM 211 C GLN A 15 118.136 -15.966 3.300 1.00 0.00 C ATOM 212 O GLN A 15 118.466 -16.260 2.170 1.00 0.00 O ATOM 213 CB GLN A 15 116.001 -17.136 3.948 1.00 0.00 C ATOM 214 CG GLN A 15 115.292 -15.914 4.483 1.00 0.00 C ATOM 215 CD GLN A 15 113.792 -16.031 4.209 1.00 0.00 C ATOM 216 OE1 GLN A 15 113.080 -15.046 4.227 1.00 0.00 O ATOM 217 NE2 GLN A 15 113.280 -17.202 3.950 1.00 0.00 N ATOM 0 H GLN A 15 116.936 -16.518 6.220 1.00 0.00 H new ATOM 0 HA GLN A 15 117.958 -17.987 4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 15 115.822 -17.233 2.877 1.00 0.00 H new ATOM 0 HB3 GLN A 15 115.605 -18.035 4.420 1.00 0.00 H new ATOM 0 HG2 GLN A 15 115.470 -15.818 5.554 1.00 0.00 H new ATOM 0 HG3 GLN A 15 115.689 -15.015 4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 15 113.878 -18.028 3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 15 112.281 -17.292 3.762 1.00 0.00 H new ATOM 226 N LEU A 16 118.328 -14.743 3.752 1.00 0.00 N ATOM 227 CA LEU A 16 118.958 -13.739 2.838 1.00 0.00 C ATOM 228 C LEU A 16 120.383 -14.199 2.518 1.00 0.00 C ATOM 229 O LEU A 16 120.818 -14.179 1.385 1.00 0.00 O ATOM 230 CB LEU A 16 119.043 -12.361 3.511 1.00 0.00 C ATOM 231 CG LEU A 16 117.642 -11.813 3.824 1.00 0.00 C ATOM 232 CD1 LEU A 16 117.766 -10.511 4.637 1.00 0.00 C ATOM 233 CD2 LEU A 16 116.882 -11.523 2.520 1.00 0.00 C ATOM 0 H LEU A 16 118.084 -14.408 4.684 1.00 0.00 H new ATOM 0 HA LEU A 16 118.351 -13.660 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 16 119.622 -12.437 4.432 1.00 0.00 H new ATOM 0 HB3 LEU A 16 119.572 -11.666 2.859 1.00 0.00 H new ATOM 0 HG LEU A 16 117.094 -12.558 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 16 116.771 -10.124 4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 16 118.292 -10.713 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 16 118.322 -9.773 4.059 1.00 0.00 H new ATOM 0 HD21 LEU A 16 115.891 -11.135 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 16 117.431 -10.785 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 16 116.784 -12.443 1.943 1.00 0.00 H new ATOM 245 N TYR A 17 121.109 -14.623 3.512 1.00 0.00 N ATOM 246 CA TYR A 17 122.503 -15.097 3.279 1.00 0.00 C ATOM 247 C TYR A 17 122.480 -16.378 2.438 1.00 0.00 C ATOM 248 O TYR A 17 123.310 -16.581 1.574 1.00 0.00 O ATOM 249 CB TYR A 17 123.170 -15.378 4.632 1.00 0.00 C ATOM 250 CG TYR A 17 123.638 -14.082 5.251 1.00 0.00 C ATOM 251 CD1 TYR A 17 122.768 -13.318 6.039 1.00 0.00 C ATOM 252 CD2 TYR A 17 124.951 -13.650 5.036 1.00 0.00 C ATOM 253 CE1 TYR A 17 123.217 -12.121 6.613 1.00 0.00 C ATOM 254 CE2 TYR A 17 125.399 -12.454 5.607 1.00 0.00 C ATOM 255 CZ TYR A 17 124.532 -11.689 6.397 1.00 0.00 C ATOM 256 OH TYR A 17 124.977 -10.511 6.962 1.00 0.00 O ATOM 0 H TYR A 17 120.796 -14.663 4.482 1.00 0.00 H new ATOM 0 HA TYR A 17 123.066 -14.332 2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 17 122.466 -15.876 5.298 1.00 0.00 H new ATOM 0 HB3 TYR A 17 124.015 -16.054 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 17 121.754 -13.650 6.204 1.00 0.00 H new ATOM 0 HD2 TYR A 17 125.620 -14.241 4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 17 122.549 -11.531 7.222 1.00 0.00 H new ATOM 0 HE2 TYR A 17 126.413 -12.121 5.439 1.00 0.00 H new ATOM 0 HH TYR A 17 125.939 -10.576 7.139 1.00 0.00 H new ATOM 266 N GLU A 18 121.550 -17.254 2.704 1.00 0.00 N ATOM 267 CA GLU A 18 121.489 -18.537 1.940 1.00 0.00 C ATOM 268 C GLU A 18 121.157 -18.276 0.464 1.00 0.00 C ATOM 269 O GLU A 18 121.166 -19.184 -0.345 1.00 0.00 O ATOM 270 CB GLU A 18 120.414 -19.439 2.545 1.00 0.00 C ATOM 271 CG GLU A 18 120.817 -19.831 3.968 1.00 0.00 C ATOM 272 CD GLU A 18 119.674 -20.601 4.632 1.00 0.00 C ATOM 273 OE1 GLU A 18 118.658 -20.789 3.983 1.00 0.00 O ATOM 274 OE2 GLU A 18 119.835 -20.989 5.777 1.00 0.00 O ATOM 0 H GLU A 18 120.829 -17.139 3.416 1.00 0.00 H new ATOM 0 HA GLU A 18 122.463 -19.023 2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 18 119.455 -18.921 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 18 120.287 -20.332 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 121.717 -20.445 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 18 121.053 -18.939 4.548 1.00 0.00 H new ATOM 281 N ILE A 19 120.861 -17.057 0.095 1.00 0.00 N ATOM 282 CA ILE A 19 120.529 -16.785 -1.336 1.00 0.00 C ATOM 283 C ILE A 19 121.669 -17.297 -2.221 1.00 0.00 C ATOM 284 O ILE A 19 121.442 -17.863 -3.273 1.00 0.00 O ATOM 285 CB ILE A 19 120.347 -15.277 -1.551 1.00 0.00 C ATOM 286 CG1 ILE A 19 119.073 -14.815 -0.839 1.00 0.00 C ATOM 287 CG2 ILE A 19 120.223 -14.982 -3.050 1.00 0.00 C ATOM 288 CD1 ILE A 19 119.014 -13.286 -0.830 1.00 0.00 C ATOM 0 H ILE A 19 120.835 -16.246 0.714 1.00 0.00 H new ATOM 0 HA ILE A 19 119.602 -17.295 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 19 121.209 -14.747 -1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 19 118.196 -15.220 -1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 19 119.057 -15.195 0.182 1.00 0.00 H new ATOM 0 HG21 ILE A 19 120.094 -13.910 -3.200 1.00 0.00 H new ATOM 0 HG22 ILE A 19 121.126 -15.314 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 19 119.361 -15.512 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 19 118.106 -12.960 -0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 19 119.884 -12.891 -0.306 1.00 0.00 H new ATOM 0 HD13 ILE A 19 119.009 -12.916 -1.855 1.00 0.00 H new ATOM 300 N ASN A 20 122.892 -17.113 -1.805 1.00 0.00 N ATOM 301 CA ASN A 20 124.034 -17.597 -2.621 1.00 0.00 C ATOM 302 C ASN A 20 125.313 -17.480 -1.797 1.00 0.00 C ATOM 303 O ASN A 20 125.349 -16.824 -0.775 1.00 0.00 O ATOM 304 CB ASN A 20 124.161 -16.752 -3.894 1.00 0.00 C ATOM 305 CG ASN A 20 124.993 -17.505 -4.936 1.00 0.00 C ATOM 306 OD1 ASN A 20 126.036 -18.045 -4.625 1.00 0.00 O ATOM 307 ND2 ASN A 20 124.570 -17.567 -6.169 1.00 0.00 N ATOM 0 H ASN A 20 123.147 -16.648 -0.934 1.00 0.00 H new ATOM 0 HA ASN A 20 123.869 -18.637 -2.904 1.00 0.00 H new ATOM 0 HB2 ASN A 20 123.172 -16.532 -4.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 124.631 -15.796 -3.662 1.00 0.00 H new ATOM 0 HD21 ASN A 20 125.115 -18.068 -6.870 1.00 0.00 H new ATOM 0 HD22 ASN A 20 123.695 -17.114 -6.431 1.00 0.00 H new ATOM 314 N ASP A 21 126.358 -18.115 -2.233 1.00 0.00 N ATOM 315 CA ASP A 21 127.646 -18.055 -1.483 1.00 0.00 C ATOM 316 C ASP A 21 128.509 -16.937 -2.062 1.00 0.00 C ATOM 317 O ASP A 21 129.708 -16.904 -1.871 1.00 0.00 O ATOM 318 CB ASP A 21 128.376 -19.389 -1.623 1.00 0.00 C ATOM 319 CG ASP A 21 127.622 -20.462 -0.836 1.00 0.00 C ATOM 320 OD1 ASP A 21 126.802 -20.096 -0.011 1.00 0.00 O ATOM 321 OD2 ASP A 21 127.872 -21.632 -1.076 1.00 0.00 O ATOM 0 H ASP A 21 126.380 -18.679 -3.083 1.00 0.00 H new ATOM 0 HA ASP A 21 127.451 -17.859 -0.429 1.00 0.00 H new ATOM 0 HB2 ASP A 21 128.443 -19.672 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 21 129.397 -19.299 -1.252 1.00 0.00 H new ATOM 326 N ASP A 22 127.911 -16.021 -2.772 1.00 0.00 N ATOM 327 CA ASP A 22 128.713 -14.912 -3.360 1.00 0.00 C ATOM 328 C ASP A 22 129.406 -14.138 -2.214 1.00 0.00 C ATOM 329 O ASP A 22 128.732 -13.636 -1.337 1.00 0.00 O ATOM 330 CB ASP A 22 127.784 -13.966 -4.125 1.00 0.00 C ATOM 331 CG ASP A 22 128.613 -12.855 -4.772 1.00 0.00 C ATOM 332 OD1 ASP A 22 129.551 -13.181 -5.482 1.00 0.00 O ATOM 333 OD2 ASP A 22 128.297 -11.699 -4.545 1.00 0.00 O ATOM 0 H ASP A 22 126.911 -15.992 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 22 129.462 -15.313 -4.043 1.00 0.00 H new ATOM 0 HB2 ASP A 22 127.234 -14.517 -4.888 1.00 0.00 H new ATOM 0 HB3 ASP A 22 127.046 -13.537 -3.448 1.00 0.00 H new ATOM 338 N PRO A 23 130.730 -14.036 -2.182 1.00 0.00 N ATOM 339 CA PRO A 23 131.397 -13.303 -1.064 1.00 0.00 C ATOM 340 C PRO A 23 130.942 -11.837 -0.956 1.00 0.00 C ATOM 341 O PRO A 23 130.727 -11.331 0.126 1.00 0.00 O ATOM 342 CB PRO A 23 132.896 -13.405 -1.421 1.00 0.00 C ATOM 343 CG PRO A 23 133.038 -14.192 -2.739 1.00 0.00 C ATOM 344 CD PRO A 23 131.637 -14.622 -3.214 1.00 0.00 C ATOM 0 HA PRO A 23 131.152 -13.727 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 23 133.328 -12.410 -1.527 1.00 0.00 H new ATOM 0 HB3 PRO A 23 133.442 -13.906 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 23 133.521 -13.575 -3.497 1.00 0.00 H new ATOM 0 HG3 PRO A 23 133.671 -15.067 -2.590 1.00 0.00 H new ATOM 0 HD2 PRO A 23 131.414 -14.238 -4.210 1.00 0.00 H new ATOM 0 HD3 PRO A 23 131.544 -15.707 -3.262 1.00 0.00 H new ATOM 352 N LYS A 24 130.797 -11.150 -2.059 1.00 0.00 N ATOM 353 CA LYS A 24 130.363 -9.724 -1.977 1.00 0.00 C ATOM 354 C LYS A 24 128.998 -9.646 -1.299 1.00 0.00 C ATOM 355 O LYS A 24 128.783 -8.850 -0.409 1.00 0.00 O ATOM 356 CB LYS A 24 130.263 -9.123 -3.381 1.00 0.00 C ATOM 357 CG LYS A 24 131.661 -8.959 -3.976 1.00 0.00 C ATOM 358 CD LYS A 24 131.544 -8.356 -5.380 1.00 0.00 C ATOM 359 CE LYS A 24 132.936 -8.184 -5.993 1.00 0.00 C ATOM 360 NZ LYS A 24 133.556 -6.935 -5.467 1.00 0.00 N ATOM 0 H LYS A 24 130.958 -11.508 -3.000 1.00 0.00 H new ATOM 0 HA LYS A 24 131.097 -9.163 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 24 129.659 -9.768 -4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 129.761 -8.157 -3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 24 132.267 -8.314 -3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 24 132.165 -9.924 -4.023 1.00 0.00 H new ATOM 0 HD2 LYS A 24 130.936 -9.002 -6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 24 131.038 -7.392 -5.330 1.00 0.00 H new ATOM 0 HE2 LYS A 24 133.561 -9.044 -5.751 1.00 0.00 H new ATOM 0 HE3 LYS A 24 132.864 -8.138 -7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 134.502 -6.816 -5.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 132.962 -6.120 -5.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 133.637 -6.997 -4.432 1.00 0.00 H new ATOM 374 N ARG A 25 128.076 -10.474 -1.700 1.00 0.00 N ATOM 375 CA ARG A 25 126.735 -10.449 -1.061 1.00 0.00 C ATOM 376 C ARG A 25 126.898 -10.746 0.429 1.00 0.00 C ATOM 377 O ARG A 25 126.386 -10.040 1.276 1.00 0.00 O ATOM 378 CB ARG A 25 125.857 -11.515 -1.709 1.00 0.00 C ATOM 379 CG ARG A 25 124.438 -11.447 -1.144 1.00 0.00 C ATOM 380 CD ARG A 25 123.588 -12.527 -1.813 1.00 0.00 C ATOM 381 NE ARG A 25 123.558 -12.290 -3.287 1.00 0.00 N ATOM 382 CZ ARG A 25 122.635 -11.534 -3.815 1.00 0.00 C ATOM 383 NH1 ARG A 25 121.923 -10.751 -3.053 1.00 0.00 N ATOM 384 NH2 ARG A 25 122.425 -11.560 -5.103 1.00 0.00 N ATOM 0 H ARG A 25 128.194 -11.165 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 25 126.269 -9.472 -1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 25 125.833 -11.369 -2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 25 126.280 -12.503 -1.530 1.00 0.00 H new ATOM 0 HG2 ARG A 25 124.454 -11.595 -0.064 1.00 0.00 H new ATOM 0 HG3 ARG A 25 124.007 -10.462 -1.324 1.00 0.00 H new ATOM 0 HD2 ARG A 25 124.000 -13.514 -1.600 1.00 0.00 H new ATOM 0 HD3 ARG A 25 122.575 -12.510 -1.410 1.00 0.00 H new ATOM 0 HE ARG A 25 124.263 -12.722 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 25 122.088 -10.731 -2.047 1.00 0.00 H new ATOM 0 HH12 ARG A 25 121.201 -10.159 -3.463 1.00 0.00 H new ATOM 0 HH21 ARG A 25 122.983 -12.172 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 25 121.703 -10.968 -5.514 1.00 0.00 H new ATOM 398 N LYS A 26 127.623 -11.782 0.753 1.00 0.00 N ATOM 399 CA LYS A 26 127.838 -12.123 2.184 1.00 0.00 C ATOM 400 C LYS A 26 128.530 -10.947 2.872 1.00 0.00 C ATOM 401 O LYS A 26 128.106 -10.486 3.913 1.00 0.00 O ATOM 402 CB LYS A 26 128.725 -13.367 2.281 1.00 0.00 C ATOM 403 CG LYS A 26 128.889 -13.775 3.748 1.00 0.00 C ATOM 404 CD LYS A 26 129.775 -15.018 3.836 1.00 0.00 C ATOM 405 CE LYS A 26 129.743 -15.572 5.262 1.00 0.00 C ATOM 406 NZ LYS A 26 130.269 -14.547 6.208 1.00 0.00 N ATOM 0 H LYS A 26 128.076 -12.407 0.086 1.00 0.00 H new ATOM 0 HA LYS A 26 126.882 -12.324 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 26 128.282 -14.186 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 26 129.701 -13.164 1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 26 129.333 -12.958 4.316 1.00 0.00 H new ATOM 0 HG3 LYS A 26 127.914 -13.978 4.191 1.00 0.00 H new ATOM 0 HD2 LYS A 26 129.427 -15.775 3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 130.798 -14.768 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 26 128.723 -15.844 5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 26 130.342 -16.480 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 130.438 -14.985 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 131.161 -14.160 5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 129.575 -13.779 6.309 1.00 0.00 H new ATOM 420 N GLU A 27 129.594 -10.459 2.295 1.00 0.00 N ATOM 421 CA GLU A 27 130.314 -9.312 2.913 1.00 0.00 C ATOM 422 C GLU A 27 129.400 -8.084 2.925 1.00 0.00 C ATOM 423 O GLU A 27 129.340 -7.356 3.897 1.00 0.00 O ATOM 424 CB GLU A 27 131.580 -9.011 2.108 1.00 0.00 C ATOM 425 CG GLU A 27 132.594 -10.140 2.311 1.00 0.00 C ATOM 426 CD GLU A 27 133.862 -9.843 1.507 1.00 0.00 C ATOM 427 OE1 GLU A 27 133.833 -8.919 0.712 1.00 0.00 O ATOM 428 OE2 GLU A 27 134.841 -10.545 1.701 1.00 0.00 O ATOM 0 H GLU A 27 129.995 -10.805 1.423 1.00 0.00 H new ATOM 0 HA GLU A 27 130.592 -9.562 3.937 1.00 0.00 H new ATOM 0 HB2 GLU A 27 131.336 -8.912 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 27 132.009 -8.061 2.426 1.00 0.00 H new ATOM 0 HG2 GLU A 27 132.837 -10.238 3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 27 132.164 -11.090 1.993 1.00 0.00 H new ATOM 435 N PHE A 28 128.676 -7.851 1.861 1.00 0.00 N ATOM 436 CA PHE A 28 127.759 -6.678 1.830 1.00 0.00 C ATOM 437 C PHE A 28 126.728 -6.790 2.956 1.00 0.00 C ATOM 438 O PHE A 28 126.506 -5.858 3.702 1.00 0.00 O ATOM 439 CB PHE A 28 127.035 -6.617 0.479 1.00 0.00 C ATOM 440 CG PHE A 28 125.932 -5.588 0.563 1.00 0.00 C ATOM 441 CD1 PHE A 28 124.692 -5.963 1.087 1.00 0.00 C ATOM 442 CD2 PHE A 28 126.152 -4.268 0.156 1.00 0.00 C ATOM 443 CE1 PHE A 28 123.666 -5.025 1.201 1.00 0.00 C ATOM 444 CE2 PHE A 28 125.125 -3.322 0.275 1.00 0.00 C ATOM 445 CZ PHE A 28 123.880 -3.704 0.799 1.00 0.00 C ATOM 0 H PHE A 28 128.681 -8.422 1.016 1.00 0.00 H new ATOM 0 HA PHE A 28 128.345 -5.769 1.968 1.00 0.00 H new ATOM 0 HB2 PHE A 28 127.736 -6.355 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 28 126.621 -7.594 0.228 1.00 0.00 H new ATOM 0 HD1 PHE A 28 124.528 -6.982 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 28 127.111 -3.979 -0.249 1.00 0.00 H new ATOM 0 HE1 PHE A 28 122.707 -5.320 1.600 1.00 0.00 H new ATOM 0 HE2 PHE A 28 125.291 -2.301 -0.036 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.087 -2.977 0.891 1.00 0.00 H new ATOM 455 N LEU A 29 126.081 -7.916 3.071 1.00 0.00 N ATOM 456 CA LEU A 29 125.051 -8.067 4.133 1.00 0.00 C ATOM 457 C LEU A 29 125.714 -7.862 5.491 1.00 0.00 C ATOM 458 O LEU A 29 125.237 -7.112 6.320 1.00 0.00 O ATOM 459 CB LEU A 29 124.455 -9.476 4.060 1.00 0.00 C ATOM 460 CG LEU A 29 123.648 -9.641 2.762 1.00 0.00 C ATOM 461 CD1 LEU A 29 123.311 -11.123 2.569 1.00 0.00 C ATOM 462 CD2 LEU A 29 122.341 -8.825 2.827 1.00 0.00 C ATOM 0 H LEU A 29 126.221 -8.734 2.478 1.00 0.00 H new ATOM 0 HA LEU A 29 124.258 -7.332 3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 29 125.252 -10.219 4.099 1.00 0.00 H new ATOM 0 HB3 LEU A 29 123.812 -9.653 4.922 1.00 0.00 H new ATOM 0 HG LEU A 29 124.245 -9.277 1.926 1.00 0.00 H new ATOM 0 HD11 LEU A 29 122.738 -11.249 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 29 124.233 -11.700 2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 29 122.721 -11.475 3.415 1.00 0.00 H new ATOM 0 HD21 LEU A 29 121.784 -8.955 1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 29 121.736 -9.173 3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 29 122.577 -7.770 2.963 1.00 0.00 H new ATOM 474 N ASP A 30 126.824 -8.501 5.720 1.00 0.00 N ATOM 475 CA ASP A 30 127.521 -8.322 7.019 1.00 0.00 C ATOM 476 C ASP A 30 127.881 -6.845 7.178 1.00 0.00 C ATOM 477 O ASP A 30 127.781 -6.282 8.251 1.00 0.00 O ATOM 478 CB ASP A 30 128.794 -9.171 7.041 1.00 0.00 C ATOM 479 CG ASP A 30 129.510 -8.996 8.385 1.00 0.00 C ATOM 480 OD1 ASP A 30 129.232 -8.021 9.062 1.00 0.00 O ATOM 481 OD2 ASP A 30 130.321 -9.846 8.715 1.00 0.00 O ATOM 0 H ASP A 30 127.278 -9.138 5.065 1.00 0.00 H new ATOM 0 HA ASP A 30 126.874 -8.637 7.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 128.545 -10.221 6.885 1.00 0.00 H new ATOM 0 HB3 ASP A 30 129.454 -8.875 6.225 1.00 0.00 H new ATOM 486 N ASP A 31 128.308 -6.215 6.118 1.00 0.00 N ATOM 487 CA ASP A 31 128.685 -4.778 6.207 1.00 0.00 C ATOM 488 C ASP A 31 127.432 -3.926 6.450 1.00 0.00 C ATOM 489 O ASP A 31 127.371 -3.150 7.380 1.00 0.00 O ATOM 490 CB ASP A 31 129.333 -4.352 4.887 1.00 0.00 C ATOM 491 CG ASP A 31 130.698 -5.031 4.744 1.00 0.00 C ATOM 492 OD1 ASP A 31 131.235 -5.458 5.752 1.00 0.00 O ATOM 493 OD2 ASP A 31 131.181 -5.113 3.627 1.00 0.00 O ATOM 0 H ASP A 31 128.412 -6.635 5.194 1.00 0.00 H new ATOM 0 HA ASP A 31 129.383 -4.635 7.032 1.00 0.00 H new ATOM 0 HB2 ASP A 31 128.690 -4.624 4.050 1.00 0.00 H new ATOM 0 HB3 ASP A 31 129.450 -3.269 4.860 1.00 0.00 H new ATOM 498 N LEU A 32 126.431 -4.060 5.621 1.00 0.00 N ATOM 499 CA LEU A 32 125.191 -3.251 5.820 1.00 0.00 C ATOM 500 C LEU A 32 124.573 -3.562 7.188 1.00 0.00 C ATOM 501 O LEU A 32 124.272 -2.668 7.950 1.00 0.00 O ATOM 502 CB LEU A 32 124.193 -3.536 4.688 1.00 0.00 C ATOM 503 CG LEU A 32 122.837 -2.882 4.994 1.00 0.00 C ATOM 504 CD1 LEU A 32 123.028 -1.392 5.305 1.00 0.00 C ATOM 505 CD2 LEU A 32 121.934 -3.026 3.768 1.00 0.00 C ATOM 0 H LEU A 32 126.417 -4.690 4.819 1.00 0.00 H new ATOM 0 HA LEU A 32 125.445 -2.191 5.795 1.00 0.00 H new ATOM 0 HB2 LEU A 32 124.584 -3.154 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 32 124.066 -4.612 4.568 1.00 0.00 H new ATOM 0 HG LEU A 32 122.386 -3.371 5.858 1.00 0.00 H new ATOM 0 HD11 LEU A 32 122.061 -0.938 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 32 123.681 -1.282 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 32 123.478 -0.896 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 120.967 -2.566 3.972 1.00 0.00 H new ATOM 0 HD22 LEU A 32 122.398 -2.532 2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 32 121.792 -4.083 3.543 1.00 0.00 H new ATOM 517 N PHE A 33 124.385 -4.813 7.521 1.00 0.00 N ATOM 518 CA PHE A 33 123.786 -5.126 8.854 1.00 0.00 C ATOM 519 C PHE A 33 124.662 -4.509 9.953 1.00 0.00 C ATOM 520 O PHE A 33 124.172 -4.054 10.967 1.00 0.00 O ATOM 521 CB PHE A 33 123.694 -6.650 9.081 1.00 0.00 C ATOM 522 CG PHE A 33 122.485 -7.240 8.365 1.00 0.00 C ATOM 523 CD1 PHE A 33 121.181 -6.806 8.676 1.00 0.00 C ATOM 524 CD2 PHE A 33 122.666 -8.241 7.397 1.00 0.00 C ATOM 525 CE1 PHE A 33 120.079 -7.368 8.012 1.00 0.00 C ATOM 526 CE2 PHE A 33 121.565 -8.798 6.741 1.00 0.00 C ATOM 527 CZ PHE A 33 120.272 -8.363 7.045 1.00 0.00 C ATOM 0 H PHE A 33 124.615 -5.619 6.940 1.00 0.00 H new ATOM 0 HA PHE A 33 122.779 -4.711 8.886 1.00 0.00 H new ATOM 0 HB2 PHE A 33 124.604 -7.130 8.720 1.00 0.00 H new ATOM 0 HB3 PHE A 33 123.625 -6.858 10.149 1.00 0.00 H new ATOM 0 HD1 PHE A 33 121.029 -6.042 9.424 1.00 0.00 H new ATOM 0 HD2 PHE A 33 123.662 -8.583 7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 33 119.080 -7.032 8.247 1.00 0.00 H new ATOM 0 HE2 PHE A 33 121.714 -9.567 5.997 1.00 0.00 H new ATOM 0 HZ PHE A 33 119.423 -8.793 6.535 1.00 0.00 H new ATOM 537 N SER A 34 125.958 -4.517 9.773 1.00 0.00 N ATOM 538 CA SER A 34 126.862 -3.960 10.823 1.00 0.00 C ATOM 539 C SER A 34 126.570 -2.474 11.093 1.00 0.00 C ATOM 540 O SER A 34 126.409 -2.073 12.223 1.00 0.00 O ATOM 541 CB SER A 34 128.315 -4.107 10.369 1.00 0.00 C ATOM 542 OG SER A 34 128.670 -5.484 10.368 1.00 0.00 O ATOM 0 H SER A 34 126.428 -4.884 8.946 1.00 0.00 H new ATOM 0 HA SER A 34 126.689 -4.515 11.745 1.00 0.00 H new ATOM 0 HB2 SER A 34 128.441 -3.687 9.371 1.00 0.00 H new ATOM 0 HB3 SER A 34 128.974 -3.550 11.035 1.00 0.00 H new ATOM 0 HG SER A 34 128.642 -5.828 9.451 1.00 0.00 H new ATOM 548 N PHE A 35 126.519 -1.645 10.084 1.00 0.00 N ATOM 549 CA PHE A 35 126.257 -0.189 10.334 1.00 0.00 C ATOM 550 C PHE A 35 124.904 0.012 11.025 1.00 0.00 C ATOM 551 O PHE A 35 124.807 0.668 12.043 1.00 0.00 O ATOM 552 CB PHE A 35 126.260 0.566 9.006 1.00 0.00 C ATOM 553 CG PHE A 35 126.069 2.038 9.273 1.00 0.00 C ATOM 554 CD1 PHE A 35 124.784 2.546 9.493 1.00 0.00 C ATOM 555 CD2 PHE A 35 127.177 2.893 9.308 1.00 0.00 C ATOM 556 CE1 PHE A 35 124.607 3.911 9.747 1.00 0.00 C ATOM 557 CE2 PHE A 35 126.999 4.257 9.562 1.00 0.00 C ATOM 558 CZ PHE A 35 125.714 4.767 9.781 1.00 0.00 C ATOM 0 H PHE A 35 126.645 -1.905 9.106 1.00 0.00 H new ATOM 0 HA PHE A 35 127.043 0.195 10.985 1.00 0.00 H new ATOM 0 HB2 PHE A 35 127.200 0.398 8.481 1.00 0.00 H new ATOM 0 HB3 PHE A 35 125.464 0.195 8.361 1.00 0.00 H new ATOM 0 HD1 PHE A 35 123.930 1.886 9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 35 128.169 2.500 9.139 1.00 0.00 H new ATOM 0 HE1 PHE A 35 123.616 4.304 9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 35 127.853 4.917 9.589 1.00 0.00 H new ATOM 0 HZ PHE A 35 125.577 5.820 9.976 1.00 0.00 H new ATOM 568 N MET A 36 123.859 -0.540 10.475 1.00 0.00 N ATOM 569 CA MET A 36 122.508 -0.377 11.091 1.00 0.00 C ATOM 570 C MET A 36 122.454 -1.108 12.436 1.00 0.00 C ATOM 571 O MET A 36 121.522 -0.957 13.201 1.00 0.00 O ATOM 572 CB MET A 36 121.452 -0.944 10.144 1.00 0.00 C ATOM 573 CG MET A 36 121.739 -2.422 9.892 1.00 0.00 C ATOM 574 SD MET A 36 120.847 -2.956 8.411 1.00 0.00 S ATOM 575 CE MET A 36 119.206 -3.062 9.161 1.00 0.00 C ATOM 0 H MET A 36 123.880 -1.099 9.622 1.00 0.00 H new ATOM 0 HA MET A 36 122.311 0.681 11.262 1.00 0.00 H new ATOM 0 HB2 MET A 36 120.458 -0.823 10.575 1.00 0.00 H new ATOM 0 HB3 MET A 36 121.459 -0.395 9.202 1.00 0.00 H new ATOM 0 HG2 MET A 36 122.810 -2.580 9.763 1.00 0.00 H new ATOM 0 HG3 MET A 36 121.430 -3.017 10.752 1.00 0.00 H new ATOM 0 HE1 MET A 36 118.542 -3.625 8.505 1.00 0.00 H new ATOM 0 HE2 MET A 36 119.278 -3.566 10.125 1.00 0.00 H new ATOM 0 HE3 MET A 36 118.807 -2.058 9.306 1.00 0.00 H new ATOM 585 N GLN A 37 123.440 -1.913 12.722 1.00 0.00 N ATOM 586 CA GLN A 37 123.446 -2.674 14.007 1.00 0.00 C ATOM 587 C GLN A 37 123.276 -1.710 15.184 1.00 0.00 C ATOM 588 O GLN A 37 123.110 -2.130 16.312 1.00 0.00 O ATOM 589 CB GLN A 37 124.772 -3.450 14.148 1.00 0.00 C ATOM 590 CG GLN A 37 125.863 -2.563 14.776 1.00 0.00 C ATOM 591 CD GLN A 37 127.248 -3.136 14.468 1.00 0.00 C ATOM 592 OE1 GLN A 37 127.381 -4.302 14.158 1.00 0.00 O ATOM 593 NE2 GLN A 37 128.291 -2.355 14.543 1.00 0.00 N ATOM 0 H GLN A 37 124.246 -2.078 12.119 1.00 0.00 H new ATOM 0 HA GLN A 37 122.617 -3.382 14.007 1.00 0.00 H new ATOM 0 HB2 GLN A 37 124.617 -4.335 14.766 1.00 0.00 H new ATOM 0 HB3 GLN A 37 125.100 -3.799 13.169 1.00 0.00 H new ATOM 0 HG2 GLN A 37 125.786 -1.548 14.387 1.00 0.00 H new ATOM 0 HG3 GLN A 37 125.717 -2.503 15.855 1.00 0.00 H new ATOM 0 HE21 GLN A 37 128.177 -1.375 14.804 1.00 0.00 H new ATOM 0 HE22 GLN A 37 129.220 -2.724 14.341 1.00 0.00 H new ATOM 602 N LYS A 38 123.337 -0.424 14.940 1.00 0.00 N ATOM 603 CA LYS A 38 123.196 0.552 16.062 1.00 0.00 C ATOM 604 C LYS A 38 122.002 0.130 16.922 1.00 0.00 C ATOM 605 O LYS A 38 122.129 -0.068 18.113 1.00 0.00 O ATOM 606 CB LYS A 38 122.965 1.950 15.483 1.00 0.00 C ATOM 607 CG LYS A 38 122.823 2.967 16.622 1.00 0.00 C ATOM 608 CD LYS A 38 122.592 4.360 16.035 1.00 0.00 C ATOM 609 CE LYS A 38 122.364 5.361 17.170 1.00 0.00 C ATOM 610 NZ LYS A 38 121.012 5.141 17.759 1.00 0.00 N ATOM 0 H LYS A 38 123.477 -0.011 14.018 1.00 0.00 H new ATOM 0 HA LYS A 38 124.098 0.569 16.674 1.00 0.00 H new ATOM 0 HB2 LYS A 38 123.797 2.228 14.837 1.00 0.00 H new ATOM 0 HB3 LYS A 38 122.067 1.954 14.865 1.00 0.00 H new ATOM 0 HG2 LYS A 38 121.991 2.691 17.269 1.00 0.00 H new ATOM 0 HG3 LYS A 38 123.721 2.965 17.240 1.00 0.00 H new ATOM 0 HD2 LYS A 38 123.452 4.662 15.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 121.730 4.347 15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 38 123.130 5.241 17.936 1.00 0.00 H new ATOM 0 HE3 LYS A 38 122.447 6.380 16.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 120.750 5.960 18.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 120.316 5.024 16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 121.026 4.285 18.349 1.00 0.00 H new ATOM 624 N ARG A 39 120.861 -0.072 16.326 1.00 0.00 N ATOM 625 CA ARG A 39 119.704 -0.552 17.124 1.00 0.00 C ATOM 626 C ARG A 39 120.002 -1.997 17.520 1.00 0.00 C ATOM 627 O ARG A 39 119.612 -2.464 18.571 1.00 0.00 O ATOM 628 CB ARG A 39 118.409 -0.480 16.300 1.00 0.00 C ATOM 629 CG ARG A 39 117.991 0.984 16.073 1.00 0.00 C ATOM 630 CD ARG A 39 117.267 1.536 17.314 1.00 0.00 C ATOM 631 NE ARG A 39 116.945 2.976 17.105 1.00 0.00 N ATOM 632 CZ ARG A 39 116.230 3.619 17.989 1.00 0.00 C ATOM 633 NH1 ARG A 39 115.003 3.250 18.231 1.00 0.00 N ATOM 634 NH2 ARG A 39 116.745 4.632 18.634 1.00 0.00 N ATOM 0 H ARG A 39 120.682 0.073 15.332 1.00 0.00 H new ATOM 0 HA ARG A 39 119.562 0.072 18.006 1.00 0.00 H new ATOM 0 HB2 ARG A 39 118.555 -0.975 15.340 1.00 0.00 H new ATOM 0 HB3 ARG A 39 117.613 -1.015 16.817 1.00 0.00 H new ATOM 0 HG2 ARG A 39 118.871 1.591 15.858 1.00 0.00 H new ATOM 0 HG3 ARG A 39 117.337 1.051 15.203 1.00 0.00 H new ATOM 0 HD2 ARG A 39 116.353 0.971 17.495 1.00 0.00 H new ATOM 0 HD3 ARG A 39 117.895 1.418 18.197 1.00 0.00 H new ATOM 0 HE ARG A 39 117.283 3.459 16.272 1.00 0.00 H new ATOM 0 HH11 ARG A 39 114.600 2.458 17.730 1.00 0.00 H new ATOM 0 HH12 ARG A 39 114.446 3.753 18.922 1.00 0.00 H new ATOM 0 HH21 ARG A 39 117.705 4.921 18.447 1.00 0.00 H new ATOM 0 HH22 ARG A 39 116.187 5.134 19.324 1.00 0.00 H new ATOM 648 N GLY A 40 120.723 -2.700 16.679 1.00 0.00 N ATOM 649 CA GLY A 40 121.097 -4.116 16.982 1.00 0.00 C ATOM 650 C GLY A 40 120.165 -5.093 16.259 1.00 0.00 C ATOM 651 O GLY A 40 120.415 -6.282 16.238 1.00 0.00 O ATOM 0 H GLY A 40 121.071 -2.348 15.787 1.00 0.00 H new ATOM 0 HA2 GLY A 40 122.128 -4.297 16.678 1.00 0.00 H new ATOM 0 HA3 GLY A 40 121.047 -4.288 18.057 1.00 0.00 H new ATOM 655 N THR A 41 119.093 -4.611 15.672 1.00 0.00 N ATOM 656 CA THR A 41 118.137 -5.521 14.953 1.00 0.00 C ATOM 657 C THR A 41 118.184 -5.253 13.436 1.00 0.00 C ATOM 658 O THR A 41 118.552 -4.176 13.009 1.00 0.00 O ATOM 659 CB THR A 41 116.717 -5.268 15.499 1.00 0.00 C ATOM 660 OG1 THR A 41 116.628 -3.923 15.949 1.00 0.00 O ATOM 661 CG2 THR A 41 116.431 -6.211 16.673 1.00 0.00 C ATOM 0 H THR A 41 118.837 -3.624 15.659 1.00 0.00 H new ATOM 0 HA THR A 41 118.417 -6.561 15.120 1.00 0.00 H new ATOM 0 HB THR A 41 115.989 -5.449 14.709 1.00 0.00 H new ATOM 0 HG1 THR A 41 115.727 -3.753 16.296 1.00 0.00 H new ATOM 0 HG21 THR A 41 115.426 -6.025 17.052 1.00 0.00 H new ATOM 0 HG22 THR A 41 116.506 -7.245 16.336 1.00 0.00 H new ATOM 0 HG23 THR A 41 117.157 -6.034 17.467 1.00 0.00 H new ATOM 669 N PRO A 42 117.815 -6.228 12.622 1.00 0.00 N ATOM 670 CA PRO A 42 117.832 -6.052 11.141 1.00 0.00 C ATOM 671 C PRO A 42 117.066 -4.809 10.667 1.00 0.00 C ATOM 672 O PRO A 42 116.837 -3.874 11.409 1.00 0.00 O ATOM 673 CB PRO A 42 117.155 -7.345 10.634 1.00 0.00 C ATOM 674 CG PRO A 42 116.767 -8.209 11.851 1.00 0.00 C ATOM 675 CD PRO A 42 117.366 -7.568 13.110 1.00 0.00 C ATOM 0 HA PRO A 42 118.842 -5.897 10.762 1.00 0.00 H new ATOM 0 HB2 PRO A 42 116.270 -7.103 10.045 1.00 0.00 H new ATOM 0 HB3 PRO A 42 117.832 -7.895 9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 42 115.683 -8.276 11.939 1.00 0.00 H new ATOM 0 HG3 PRO A 42 117.140 -9.226 11.729 1.00 0.00 H new ATOM 0 HD2 PRO A 42 116.629 -7.481 13.908 1.00 0.00 H new ATOM 0 HD3 PRO A 42 118.197 -8.153 13.505 1.00 0.00 H new ATOM 683 N ILE A 43 116.682 -4.809 9.421 1.00 0.00 N ATOM 684 CA ILE A 43 115.940 -3.653 8.849 1.00 0.00 C ATOM 685 C ILE A 43 114.525 -3.607 9.446 1.00 0.00 C ATOM 686 O ILE A 43 114.319 -3.959 10.590 1.00 0.00 O ATOM 687 CB ILE A 43 115.920 -3.814 7.308 1.00 0.00 C ATOM 688 CG1 ILE A 43 115.763 -2.430 6.628 1.00 0.00 C ATOM 689 CG2 ILE A 43 114.785 -4.770 6.858 1.00 0.00 C ATOM 690 CD1 ILE A 43 117.129 -1.738 6.501 1.00 0.00 C ATOM 0 H ILE A 43 116.854 -5.572 8.766 1.00 0.00 H new ATOM 0 HA ILE A 43 116.424 -2.708 9.095 1.00 0.00 H new ATOM 0 HB ILE A 43 116.869 -4.254 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 43 115.316 -2.551 5.641 1.00 0.00 H new ATOM 0 HG13 ILE A 43 115.085 -1.806 7.210 1.00 0.00 H new ATOM 0 HG21 ILE A 43 114.797 -4.863 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 43 114.936 -5.751 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 43 113.823 -4.369 7.178 1.00 0.00 H new ATOM 0 HD11 ILE A 43 117.002 -0.767 6.022 1.00 0.00 H new ATOM 0 HD12 ILE A 43 117.560 -1.599 7.492 1.00 0.00 H new ATOM 0 HD13 ILE A 43 117.795 -2.356 5.899 1.00 0.00 H new ATOM 702 N ASN A 44 113.552 -3.166 8.695 1.00 0.00 N ATOM 703 CA ASN A 44 112.161 -3.089 9.239 1.00 0.00 C ATOM 704 C ASN A 44 111.418 -4.407 8.992 1.00 0.00 C ATOM 705 O ASN A 44 111.220 -5.189 9.901 1.00 0.00 O ATOM 706 CB ASN A 44 111.409 -1.950 8.549 1.00 0.00 C ATOM 707 CG ASN A 44 110.098 -1.685 9.293 1.00 0.00 C ATOM 708 OD1 ASN A 44 109.891 -2.187 10.380 1.00 0.00 O ATOM 709 ND2 ASN A 44 109.197 -0.912 8.750 1.00 0.00 N ATOM 0 H ASN A 44 113.658 -2.856 7.729 1.00 0.00 H new ATOM 0 HA ASN A 44 112.212 -2.906 10.312 1.00 0.00 H new ATOM 0 HB2 ASN A 44 112.022 -1.049 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 44 111.205 -2.210 7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 44 108.320 -0.730 9.238 1.00 0.00 H new ATOM 0 HD22 ASN A 44 109.370 -0.490 7.838 1.00 0.00 H new ATOM 716 N ARG A 45 110.994 -4.654 7.774 1.00 0.00 N ATOM 717 CA ARG A 45 110.244 -5.920 7.464 1.00 0.00 C ATOM 718 C ARG A 45 110.916 -6.650 6.297 1.00 0.00 C ATOM 719 O ARG A 45 111.555 -6.048 5.456 1.00 0.00 O ATOM 720 CB ARG A 45 108.800 -5.571 7.069 1.00 0.00 C ATOM 721 CG ARG A 45 108.071 -4.872 8.230 1.00 0.00 C ATOM 722 CD ARG A 45 107.524 -5.905 9.228 1.00 0.00 C ATOM 723 NE ARG A 45 106.268 -6.507 8.685 1.00 0.00 N ATOM 724 CZ ARG A 45 105.099 -6.040 9.044 1.00 0.00 C ATOM 725 NH1 ARG A 45 104.841 -5.827 10.306 1.00 0.00 N ATOM 726 NH2 ARG A 45 104.191 -5.792 8.141 1.00 0.00 N ATOM 0 H ARG A 45 111.134 -4.033 6.977 1.00 0.00 H new ATOM 0 HA ARG A 45 110.246 -6.562 8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 45 108.804 -4.922 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 45 108.264 -6.479 6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 45 108.755 -4.193 8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 45 107.253 -4.267 7.840 1.00 0.00 H new ATOM 0 HD2 ARG A 45 108.266 -6.684 9.405 1.00 0.00 H new ATOM 0 HD3 ARG A 45 107.326 -5.429 10.188 1.00 0.00 H new ATOM 0 HE ARG A 45 106.322 -7.287 8.030 1.00 0.00 H new ATOM 0 HH11 ARG A 45 105.550 -6.024 11.012 1.00 0.00 H new ATOM 0 HH12 ARG A 45 103.930 -5.463 10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 45 104.392 -5.962 7.156 1.00 0.00 H new ATOM 0 HH22 ARG A 45 103.280 -5.428 8.420 1.00 0.00 H new ATOM 740 N LEU A 46 110.767 -7.952 6.246 1.00 0.00 N ATOM 741 CA LEU A 46 111.379 -8.762 5.146 1.00 0.00 C ATOM 742 C LEU A 46 110.305 -9.680 4.543 1.00 0.00 C ATOM 743 O LEU A 46 110.242 -10.849 4.869 1.00 0.00 O ATOM 744 CB LEU A 46 112.498 -9.636 5.726 1.00 0.00 C ATOM 745 CG LEU A 46 113.660 -8.761 6.227 1.00 0.00 C ATOM 746 CD1 LEU A 46 114.551 -9.588 7.160 1.00 0.00 C ATOM 747 CD2 LEU A 46 114.501 -8.252 5.043 1.00 0.00 C ATOM 0 H LEU A 46 110.240 -8.495 6.930 1.00 0.00 H new ATOM 0 HA LEU A 46 111.781 -8.097 4.381 1.00 0.00 H new ATOM 0 HB2 LEU A 46 112.109 -10.239 6.547 1.00 0.00 H new ATOM 0 HB3 LEU A 46 112.858 -10.328 4.965 1.00 0.00 H new ATOM 0 HG LEU A 46 113.250 -7.905 6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 115.376 -8.971 7.517 1.00 0.00 H new ATOM 0 HD12 LEU A 46 113.964 -9.936 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 46 114.948 -10.446 6.618 1.00 0.00 H new ATOM 0 HD21 LEU A 46 115.318 -7.635 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 46 114.909 -9.101 4.495 1.00 0.00 H new ATOM 0 HD23 LEU A 46 113.873 -7.659 4.379 1.00 0.00 H new ATOM 759 N PRO A 47 109.455 -9.168 3.677 1.00 0.00 N ATOM 760 CA PRO A 47 108.386 -10.010 3.066 1.00 0.00 C ATOM 761 C PRO A 47 108.958 -11.131 2.184 1.00 0.00 C ATOM 762 O PRO A 47 110.088 -11.069 1.739 1.00 0.00 O ATOM 763 CB PRO A 47 107.574 -8.986 2.239 1.00 0.00 C ATOM 764 CG PRO A 47 108.214 -7.591 2.416 1.00 0.00 C ATOM 765 CD PRO A 47 109.498 -7.740 3.253 1.00 0.00 C ATOM 0 HA PRO A 47 107.787 -10.538 3.808 1.00 0.00 H new ATOM 0 HB2 PRO A 47 107.569 -9.269 1.186 1.00 0.00 H new ATOM 0 HB3 PRO A 47 106.536 -8.971 2.570 1.00 0.00 H new ATOM 0 HG2 PRO A 47 108.445 -7.155 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 47 107.517 -6.915 2.911 1.00 0.00 H new ATOM 0 HD2 PRO A 47 110.390 -7.519 2.667 1.00 0.00 H new ATOM 0 HD3 PRO A 47 109.503 -7.065 4.108 1.00 0.00 H new ATOM 773 N ILE A 48 108.175 -12.153 1.926 1.00 0.00 N ATOM 774 CA ILE A 48 108.643 -13.286 1.073 1.00 0.00 C ATOM 775 C ILE A 48 107.886 -13.242 -0.250 1.00 0.00 C ATOM 776 O ILE A 48 106.672 -13.254 -0.282 1.00 0.00 O ATOM 777 CB ILE A 48 108.338 -14.614 1.767 1.00 0.00 C ATOM 778 CG1 ILE A 48 108.860 -14.580 3.210 1.00 0.00 C ATOM 779 CG2 ILE A 48 109.012 -15.759 1.006 1.00 0.00 C ATOM 780 CD1 ILE A 48 110.335 -14.162 3.231 1.00 0.00 C ATOM 0 H ILE A 48 107.222 -12.248 2.276 1.00 0.00 H new ATOM 0 HA ILE A 48 109.717 -13.200 0.906 1.00 0.00 H new ATOM 0 HB ILE A 48 107.259 -14.771 1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 48 108.268 -13.882 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 48 108.746 -15.562 3.669 1.00 0.00 H new ATOM 0 HG21 ILE A 48 108.793 -16.704 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 48 108.633 -15.790 -0.016 1.00 0.00 H new ATOM 0 HG23 ILE A 48 110.090 -15.599 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 48 110.693 -14.142 4.260 1.00 0.00 H new ATOM 0 HD12 ILE A 48 110.924 -14.877 2.656 1.00 0.00 H new ATOM 0 HD13 ILE A 48 110.438 -13.170 2.792 1.00 0.00 H new ATOM 841 N SER A 52 110.524 -16.797 -2.893 1.00 0.00 N ATOM 842 CA SER A 52 111.738 -15.925 -2.951 1.00 0.00 C ATOM 843 C SER A 52 111.720 -14.974 -1.751 1.00 0.00 C ATOM 844 O SER A 52 110.732 -14.874 -1.049 1.00 0.00 O ATOM 845 CB SER A 52 111.728 -15.123 -4.258 1.00 0.00 C ATOM 846 OG SER A 52 113.062 -14.766 -4.599 1.00 0.00 O ATOM 0 HA SER A 52 112.641 -16.535 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 52 111.281 -15.714 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 52 111.117 -14.227 -4.144 1.00 0.00 H new ATOM 0 HG SER A 52 113.060 -14.255 -5.435 1.00 0.00 H new ATOM 852 N VAL A 53 112.803 -14.280 -1.510 1.00 0.00 N ATOM 853 CA VAL A 53 112.866 -13.330 -0.352 1.00 0.00 C ATOM 854 C VAL A 53 113.229 -11.938 -0.868 1.00 0.00 C ATOM 855 O VAL A 53 114.097 -11.785 -1.704 1.00 0.00 O ATOM 856 CB VAL A 53 113.935 -13.808 0.632 1.00 0.00 C ATOM 857 CG1 VAL A 53 113.830 -13.017 1.940 1.00 0.00 C ATOM 858 CG2 VAL A 53 113.730 -15.297 0.916 1.00 0.00 C ATOM 0 H VAL A 53 113.655 -14.330 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 53 111.900 -13.292 0.152 1.00 0.00 H new ATOM 0 HB VAL A 53 114.922 -13.650 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 53 114.594 -13.362 2.636 1.00 0.00 H new ATOM 0 HG12 VAL A 53 113.977 -11.956 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 53 112.844 -13.169 2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 53 114.490 -15.642 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 53 112.741 -15.452 1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 53 113.812 -15.860 -0.014 1.00 0.00 H new ATOM 868 N LEU A 54 112.568 -10.918 -0.390 1.00 0.00 N ATOM 869 CA LEU A 54 112.885 -9.548 -0.880 1.00 0.00 C ATOM 870 C LEU A 54 114.343 -9.234 -0.565 1.00 0.00 C ATOM 871 O LEU A 54 114.693 -8.869 0.539 1.00 0.00 O ATOM 872 CB LEU A 54 111.966 -8.529 -0.193 1.00 0.00 C ATOM 873 CG LEU A 54 112.341 -7.099 -0.613 1.00 0.00 C ATOM 874 CD1 LEU A 54 112.280 -6.960 -2.142 1.00 0.00 C ATOM 875 CD2 LEU A 54 111.351 -6.118 0.029 1.00 0.00 C ATOM 0 H LEU A 54 111.830 -10.974 0.312 1.00 0.00 H new ATOM 0 HA LEU A 54 112.726 -9.493 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 54 110.928 -8.731 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 54 112.046 -8.630 0.889 1.00 0.00 H new ATOM 0 HG LEU A 54 113.356 -6.880 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 54 112.548 -5.942 -2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 54 112.979 -7.660 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 54 111.270 -7.179 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 54 111.608 -5.099 -0.262 1.00 0.00 H new ATOM 0 HD22 LEU A 54 110.340 -6.348 -0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 54 111.401 -6.209 1.114 1.00 0.00 H new ATOM 887 N ASP A 55 115.196 -9.377 -1.540 1.00 0.00 N ATOM 888 CA ASP A 55 116.635 -9.092 -1.321 1.00 0.00 C ATOM 889 C ASP A 55 116.841 -7.588 -1.140 1.00 0.00 C ATOM 890 O ASP A 55 116.572 -6.803 -2.028 1.00 0.00 O ATOM 891 CB ASP A 55 117.433 -9.579 -2.531 1.00 0.00 C ATOM 892 CG ASP A 55 118.920 -9.309 -2.308 1.00 0.00 C ATOM 893 OD1 ASP A 55 119.242 -8.614 -1.358 1.00 0.00 O ATOM 894 OD2 ASP A 55 119.713 -9.800 -3.093 1.00 0.00 O ATOM 0 H ASP A 55 114.954 -9.681 -2.483 1.00 0.00 H new ATOM 0 HA ASP A 55 116.978 -9.609 -0.425 1.00 0.00 H new ATOM 0 HB2 ASP A 55 117.266 -10.645 -2.684 1.00 0.00 H new ATOM 0 HB3 ASP A 55 117.092 -9.070 -3.433 1.00 0.00 H new ATOM 899 N LEU A 56 117.331 -7.183 -0.004 1.00 0.00 N ATOM 900 CA LEU A 56 117.575 -5.732 0.230 1.00 0.00 C ATOM 901 C LEU A 56 118.565 -5.231 -0.818 1.00 0.00 C ATOM 902 O LEU A 56 118.533 -4.090 -1.233 1.00 0.00 O ATOM 903 CB LEU A 56 118.166 -5.534 1.627 1.00 0.00 C ATOM 904 CG LEU A 56 117.187 -6.054 2.686 1.00 0.00 C ATOM 905 CD1 LEU A 56 117.886 -6.078 4.049 1.00 0.00 C ATOM 906 CD2 LEU A 56 115.946 -5.146 2.757 1.00 0.00 C ATOM 0 H LEU A 56 117.574 -7.795 0.775 1.00 0.00 H new ATOM 0 HA LEU A 56 116.639 -5.178 0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 56 119.116 -6.062 1.707 1.00 0.00 H new ATOM 0 HB3 LEU A 56 118.373 -4.477 1.798 1.00 0.00 H new ATOM 0 HG LEU A 56 116.869 -7.061 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 56 117.194 -6.447 4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 56 118.755 -6.734 4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 56 118.207 -5.070 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 56 115.259 -5.527 3.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 116.251 -4.133 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 56 115.448 -5.134 1.787 1.00 0.00 H new ATOM 918 N TYR A 57 119.454 -6.086 -1.234 1.00 0.00 N ATOM 919 CA TYR A 57 120.474 -5.693 -2.243 1.00 0.00 C ATOM 920 C TYR A 57 119.769 -5.246 -3.537 1.00 0.00 C ATOM 921 O TYR A 57 120.153 -4.280 -4.165 1.00 0.00 O ATOM 922 CB TYR A 57 121.364 -6.926 -2.525 1.00 0.00 C ATOM 923 CG TYR A 57 122.778 -6.509 -2.894 1.00 0.00 C ATOM 924 CD1 TYR A 57 123.001 -5.609 -3.943 1.00 0.00 C ATOM 925 CD2 TYR A 57 123.869 -7.032 -2.182 1.00 0.00 C ATOM 926 CE1 TYR A 57 124.300 -5.228 -4.279 1.00 0.00 C ATOM 927 CE2 TYR A 57 125.174 -6.653 -2.518 1.00 0.00 C ATOM 928 CZ TYR A 57 125.391 -5.747 -3.566 1.00 0.00 C ATOM 929 OH TYR A 57 126.675 -5.370 -3.899 1.00 0.00 O ATOM 0 H TYR A 57 119.518 -7.052 -0.914 1.00 0.00 H new ATOM 0 HA TYR A 57 121.082 -4.867 -1.874 1.00 0.00 H new ATOM 0 HB2 TYR A 57 121.389 -7.569 -1.645 1.00 0.00 H new ATOM 0 HB3 TYR A 57 120.932 -7.512 -3.336 1.00 0.00 H new ATOM 0 HD1 TYR A 57 122.163 -5.208 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 57 123.701 -7.728 -1.373 1.00 0.00 H new ATOM 0 HE1 TYR A 57 124.466 -4.533 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 57 126.013 -7.058 -1.971 1.00 0.00 H new ATOM 0 HH TYR A 57 127.312 -5.820 -3.306 1.00 0.00 H new ATOM 939 N GLU A 58 118.744 -5.943 -3.946 1.00 0.00 N ATOM 940 CA GLU A 58 118.052 -5.563 -5.211 1.00 0.00 C ATOM 941 C GLU A 58 117.502 -4.139 -5.106 1.00 0.00 C ATOM 942 O GLU A 58 117.586 -3.370 -6.043 1.00 0.00 O ATOM 943 CB GLU A 58 116.904 -6.546 -5.476 1.00 0.00 C ATOM 944 CG GLU A 58 116.218 -6.201 -6.802 1.00 0.00 C ATOM 945 CD GLU A 58 115.082 -7.192 -7.065 1.00 0.00 C ATOM 946 OE1 GLU A 58 115.000 -8.175 -6.347 1.00 0.00 O ATOM 947 OE2 GLU A 58 114.314 -6.953 -7.983 1.00 0.00 O ATOM 0 H GLU A 58 118.358 -6.754 -3.463 1.00 0.00 H new ATOM 0 HA GLU A 58 118.764 -5.602 -6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 58 117.287 -7.566 -5.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 116.182 -6.503 -4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 58 115.826 -5.184 -6.767 1.00 0.00 H new ATOM 0 HG3 GLU A 58 116.941 -6.236 -7.617 1.00 0.00 H new ATOM 954 N LEU A 59 116.946 -3.767 -3.987 1.00 0.00 N ATOM 955 CA LEU A 59 116.414 -2.381 -3.870 1.00 0.00 C ATOM 956 C LEU A 59 117.561 -1.388 -4.087 1.00 0.00 C ATOM 957 O LEU A 59 117.428 -0.418 -4.808 1.00 0.00 O ATOM 958 CB LEU A 59 115.803 -2.167 -2.472 1.00 0.00 C ATOM 959 CG LEU A 59 115.246 -0.732 -2.337 1.00 0.00 C ATOM 960 CD1 LEU A 59 114.046 -0.540 -3.281 1.00 0.00 C ATOM 961 CD2 LEU A 59 114.797 -0.490 -0.888 1.00 0.00 C ATOM 0 H LEU A 59 116.838 -4.353 -3.159 1.00 0.00 H new ATOM 0 HA LEU A 59 115.639 -2.224 -4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 59 115.005 -2.890 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 59 116.560 -2.343 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 59 116.028 -0.021 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 59 113.661 0.474 -3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 59 114.363 -0.705 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 59 113.263 -1.253 -3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 59 114.404 0.522 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 59 114.020 -1.207 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 59 115.648 -0.613 -0.218 1.00 0.00 H new ATOM 973 N TYR A 60 118.677 -1.602 -3.438 1.00 0.00 N ATOM 974 CA TYR A 60 119.813 -0.646 -3.576 1.00 0.00 C ATOM 975 C TYR A 60 120.305 -0.552 -5.029 1.00 0.00 C ATOM 976 O TYR A 60 120.461 0.530 -5.558 1.00 0.00 O ATOM 977 CB TYR A 60 120.975 -1.082 -2.681 1.00 0.00 C ATOM 978 CG TYR A 60 121.982 0.037 -2.664 1.00 0.00 C ATOM 979 CD1 TYR A 60 121.643 1.245 -2.050 1.00 0.00 C ATOM 980 CD2 TYR A 60 123.228 -0.109 -3.286 1.00 0.00 C ATOM 981 CE1 TYR A 60 122.539 2.305 -2.054 1.00 0.00 C ATOM 982 CE2 TYR A 60 124.134 0.958 -3.282 1.00 0.00 C ATOM 983 CZ TYR A 60 123.785 2.167 -2.666 1.00 0.00 C ATOM 984 OH TYR A 60 124.658 3.231 -2.670 1.00 0.00 O ATOM 0 H TYR A 60 118.849 -2.395 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 60 119.452 0.336 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 60 120.622 -1.295 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 60 121.427 -1.998 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 60 120.681 1.354 -1.571 1.00 0.00 H new ATOM 0 HD2 TYR A 60 123.489 -1.040 -3.767 1.00 0.00 H new ATOM 0 HE1 TYR A 60 122.271 3.239 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 60 125.100 0.850 -3.753 1.00 0.00 H new ATOM 0 HH TYR A 60 125.483 2.976 -3.134 1.00 0.00 H new ATOM 994 N ASN A 61 120.569 -1.655 -5.683 1.00 0.00 N ATOM 995 CA ASN A 61 121.068 -1.565 -7.089 1.00 0.00 C ATOM 996 C ASN A 61 120.038 -0.850 -7.968 1.00 0.00 C ATOM 997 O ASN A 61 120.387 -0.047 -8.810 1.00 0.00 O ATOM 998 CB ASN A 61 121.326 -2.969 -7.643 1.00 0.00 C ATOM 999 CG ASN A 61 122.549 -3.574 -6.952 1.00 0.00 C ATOM 1000 OD1 ASN A 61 123.359 -2.864 -6.390 1.00 0.00 O ATOM 1001 ND2 ASN A 61 122.725 -4.868 -6.978 1.00 0.00 N ATOM 0 H ASN A 61 120.463 -2.599 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 61 121.999 -0.998 -7.094 1.00 0.00 H new ATOM 0 HB2 ASN A 61 120.453 -3.602 -7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 61 121.490 -2.922 -8.720 1.00 0.00 H new ATOM 0 HD21 ASN A 61 123.541 -5.281 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 61 122.046 -5.466 -7.449 1.00 0.00 H new ATOM 1008 N LEU A 62 118.776 -1.117 -7.780 1.00 0.00 N ATOM 1009 CA LEU A 62 117.749 -0.427 -8.611 1.00 0.00 C ATOM 1010 C LEU A 62 117.788 1.073 -8.311 1.00 0.00 C ATOM 1011 O LEU A 62 117.653 1.896 -9.191 1.00 0.00 O ATOM 1012 CB LEU A 62 116.353 -0.970 -8.285 1.00 0.00 C ATOM 1013 CG LEU A 62 116.207 -2.411 -8.801 1.00 0.00 C ATOM 1014 CD1 LEU A 62 114.909 -3.009 -8.248 1.00 0.00 C ATOM 1015 CD2 LEU A 62 116.170 -2.435 -10.344 1.00 0.00 C ATOM 0 H LEU A 62 118.413 -1.777 -7.093 1.00 0.00 H new ATOM 0 HA LEU A 62 117.963 -0.605 -9.665 1.00 0.00 H new ATOM 0 HB2 LEU A 62 116.188 -0.944 -7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 62 115.593 -0.335 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 62 117.063 -2.997 -8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 62 114.797 -4.031 -8.609 1.00 0.00 H new ATOM 0 HD12 LEU A 62 114.944 -3.010 -7.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 114.061 -2.411 -8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 62 116.066 -3.464 -10.690 1.00 0.00 H new ATOM 0 HD22 LEU A 62 115.323 -1.847 -10.697 1.00 0.00 H new ATOM 0 HD23 LEU A 62 117.095 -2.012 -10.737 1.00 0.00 H new ATOM 1027 N VAL A 63 117.956 1.431 -7.069 1.00 0.00 N ATOM 1028 CA VAL A 63 117.985 2.875 -6.702 1.00 0.00 C ATOM 1029 C VAL A 63 119.202 3.565 -7.339 1.00 0.00 C ATOM 1030 O VAL A 63 119.062 4.528 -8.066 1.00 0.00 O ATOM 1031 CB VAL A 63 118.042 2.982 -5.168 1.00 0.00 C ATOM 1032 CG1 VAL A 63 118.502 4.387 -4.739 1.00 0.00 C ATOM 1033 CG2 VAL A 63 116.644 2.696 -4.593 1.00 0.00 C ATOM 0 H VAL A 63 118.075 0.784 -6.289 1.00 0.00 H new ATOM 0 HA VAL A 63 117.090 3.373 -7.074 1.00 0.00 H new ATOM 0 HB VAL A 63 118.758 2.254 -4.787 1.00 0.00 H new ATOM 0 HG11 VAL A 63 118.536 4.442 -3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 63 119.495 4.584 -5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 63 117.802 5.131 -5.119 1.00 0.00 H new ATOM 0 HG21 VAL A 63 116.676 2.770 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 63 115.933 3.423 -4.986 1.00 0.00 H new ATOM 0 HG23 VAL A 63 116.331 1.692 -4.880 1.00 0.00 H new ATOM 1043 N ILE A 64 120.390 3.096 -7.073 1.00 0.00 N ATOM 1044 CA ILE A 64 121.587 3.753 -7.671 1.00 0.00 C ATOM 1045 C ILE A 64 121.488 3.694 -9.198 1.00 0.00 C ATOM 1046 O ILE A 64 121.741 4.664 -9.883 1.00 0.00 O ATOM 1047 CB ILE A 64 122.856 3.020 -7.215 1.00 0.00 C ATOM 1048 CG1 ILE A 64 122.975 3.062 -5.681 1.00 0.00 C ATOM 1049 CG2 ILE A 64 124.088 3.679 -7.843 1.00 0.00 C ATOM 1050 CD1 ILE A 64 122.912 4.507 -5.163 1.00 0.00 C ATOM 0 H ILE A 64 120.583 2.294 -6.473 1.00 0.00 H new ATOM 0 HA ILE A 64 121.631 4.793 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 64 122.795 1.980 -7.537 1.00 0.00 H new ATOM 0 HG12 ILE A 64 122.171 2.476 -5.234 1.00 0.00 H new ATOM 0 HG13 ILE A 64 123.914 2.602 -5.373 1.00 0.00 H new ATOM 0 HG21 ILE A 64 124.987 3.156 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 64 124.013 3.629 -8.929 1.00 0.00 H new ATOM 0 HG23 ILE A 64 124.142 4.722 -7.530 1.00 0.00 H new ATOM 0 HD11 ILE A 64 122.998 4.508 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 64 123.731 5.084 -5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 64 121.962 4.956 -5.452 1.00 0.00 H new ATOM 1062 N ALA A 65 121.123 2.564 -9.737 1.00 0.00 N ATOM 1063 CA ALA A 65 121.014 2.449 -11.219 1.00 0.00 C ATOM 1064 C ALA A 65 120.094 3.552 -11.760 1.00 0.00 C ATOM 1065 O ALA A 65 120.127 3.872 -12.932 1.00 0.00 O ATOM 1066 CB ALA A 65 120.443 1.076 -11.584 1.00 0.00 C ATOM 0 H ALA A 65 120.896 1.716 -9.217 1.00 0.00 H new ATOM 0 HA ALA A 65 122.003 2.560 -11.663 1.00 0.00 H new ATOM 0 HB1 ALA A 65 120.363 0.992 -12.668 1.00 0.00 H new ATOM 0 HB2 ALA A 65 121.104 0.295 -11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 65 119.455 0.962 -11.137 1.00 0.00 H new ATOM 1072 N ARG A 66 119.270 4.133 -10.921 1.00 0.00 N ATOM 1073 CA ARG A 66 118.339 5.213 -11.390 1.00 0.00 C ATOM 1074 C ARG A 66 118.897 6.602 -11.043 1.00 0.00 C ATOM 1075 O ARG A 66 118.223 7.600 -11.209 1.00 0.00 O ATOM 1076 CB ARG A 66 116.969 5.017 -10.737 1.00 0.00 C ATOM 1077 CG ARG A 66 116.308 3.768 -11.331 1.00 0.00 C ATOM 1078 CD ARG A 66 114.941 3.541 -10.685 1.00 0.00 C ATOM 1079 NE ARG A 66 114.318 2.314 -11.262 1.00 0.00 N ATOM 1080 CZ ARG A 66 114.226 2.173 -12.558 1.00 0.00 C ATOM 1081 NH1 ARG A 66 113.853 3.180 -13.299 1.00 0.00 N ATOM 1082 NH2 ARG A 66 114.508 1.026 -13.111 1.00 0.00 N ATOM 0 H ARG A 66 119.201 3.906 -9.929 1.00 0.00 H new ATOM 0 HA ARG A 66 118.240 5.150 -12.474 1.00 0.00 H new ATOM 0 HB2 ARG A 66 117.078 4.908 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 66 116.342 5.892 -10.907 1.00 0.00 H new ATOM 0 HG2 ARG A 66 116.195 3.884 -12.409 1.00 0.00 H new ATOM 0 HG3 ARG A 66 116.945 2.898 -11.169 1.00 0.00 H new ATOM 0 HD2 ARG A 66 115.050 3.434 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 66 114.298 4.404 -10.856 1.00 0.00 H new ATOM 0 HE ARG A 66 113.963 1.584 -10.644 1.00 0.00 H new ATOM 0 HH11 ARG A 66 113.633 4.077 -12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 66 113.781 3.070 -14.310 1.00 0.00 H new ATOM 0 HH21 ARG A 66 114.800 0.239 -12.532 1.00 0.00 H new ATOM 0 HH22 ARG A 66 114.436 0.916 -14.123 1.00 0.00 H new ATOM 1096 N GLY A 67 120.131 6.680 -10.598 1.00 0.00 N ATOM 1097 CA GLY A 67 120.751 8.015 -10.282 1.00 0.00 C ATOM 1098 C GLY A 67 120.896 8.232 -8.769 1.00 0.00 C ATOM 1099 O GLY A 67 121.695 9.040 -8.340 1.00 0.00 O ATOM 0 H GLY A 67 120.739 5.876 -10.439 1.00 0.00 H new ATOM 0 HA2 GLY A 67 121.731 8.082 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 67 120.138 8.810 -10.706 1.00 0.00 H new ATOM 1103 N GLY A 68 120.149 7.529 -7.955 1.00 0.00 N ATOM 1104 CA GLY A 68 120.274 7.722 -6.471 1.00 0.00 C ATOM 1105 C GLY A 68 118.892 7.708 -5.822 1.00 0.00 C ATOM 1106 O GLY A 68 117.878 7.825 -6.481 1.00 0.00 O ATOM 0 H GLY A 68 119.462 6.834 -8.247 1.00 0.00 H new ATOM 0 HA2 GLY A 68 120.893 6.932 -6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 68 120.774 8.667 -6.260 1.00 0.00 H new ATOM 1110 N LEU A 69 118.848 7.567 -4.525 1.00 0.00 N ATOM 1111 CA LEU A 69 117.540 7.546 -3.817 1.00 0.00 C ATOM 1112 C LEU A 69 116.801 8.866 -4.069 1.00 0.00 C ATOM 1113 O LEU A 69 115.635 8.877 -4.409 1.00 0.00 O ATOM 1114 CB LEU A 69 117.785 7.370 -2.315 1.00 0.00 C ATOM 1115 CG LEU A 69 116.446 7.180 -1.573 1.00 0.00 C ATOM 1116 CD1 LEU A 69 115.842 5.801 -1.907 1.00 0.00 C ATOM 1117 CD2 LEU A 69 116.675 7.292 -0.054 1.00 0.00 C ATOM 0 H LEU A 69 119.666 7.465 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 69 116.934 6.719 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 69 118.429 6.508 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 69 118.307 8.242 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 69 115.751 7.956 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 69 114.897 5.680 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 69 115.667 5.731 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 116.534 5.017 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 69 115.727 7.157 0.468 1.00 0.00 H new ATOM 0 HD22 LEU A 69 117.378 6.523 0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 69 117.082 8.275 0.181 1.00 0.00 H new ATOM 1129 N VAL A 70 117.467 9.982 -3.902 1.00 0.00 N ATOM 1130 CA VAL A 70 116.789 11.293 -4.130 1.00 0.00 C ATOM 1131 C VAL A 70 116.408 11.411 -5.605 1.00 0.00 C ATOM 1132 O VAL A 70 115.371 11.948 -5.943 1.00 0.00 O ATOM 1133 CB VAL A 70 117.716 12.452 -3.736 1.00 0.00 C ATOM 1134 CG1 VAL A 70 116.919 13.765 -3.748 1.00 0.00 C ATOM 1135 CG2 VAL A 70 118.286 12.211 -2.327 1.00 0.00 C ATOM 0 H VAL A 70 118.445 10.041 -3.619 1.00 0.00 H new ATOM 0 HA VAL A 70 115.892 11.344 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 70 118.539 12.514 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 70 117.574 14.591 -3.469 1.00 0.00 H new ATOM 0 HG12 VAL A 70 116.521 13.940 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 70 116.096 13.698 -3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 70 118.943 13.037 -2.054 1.00 0.00 H new ATOM 0 HG22 VAL A 70 117.468 12.146 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 70 118.852 11.279 -2.318 1.00 0.00 H new ATOM 1145 N ASP A 71 117.227 10.911 -6.491 1.00 0.00 N ATOM 1146 CA ASP A 71 116.882 11.002 -7.936 1.00 0.00 C ATOM 1147 C ASP A 71 115.558 10.271 -8.163 1.00 0.00 C ATOM 1148 O ASP A 71 114.714 10.708 -8.916 1.00 0.00 O ATOM 1149 CB ASP A 71 117.981 10.355 -8.782 1.00 0.00 C ATOM 1150 CG ASP A 71 119.213 11.263 -8.809 1.00 0.00 C ATOM 1151 OD1 ASP A 71 119.063 12.442 -8.536 1.00 0.00 O ATOM 1152 OD2 ASP A 71 120.285 10.764 -9.106 1.00 0.00 O ATOM 0 H ASP A 71 118.111 10.448 -6.279 1.00 0.00 H new ATOM 0 HA ASP A 71 116.790 12.048 -8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 71 118.244 9.381 -8.370 1.00 0.00 H new ATOM 0 HB3 ASP A 71 117.620 10.185 -9.796 1.00 0.00 H new ATOM 1157 N VAL A 72 115.368 9.164 -7.511 1.00 0.00 N ATOM 1158 CA VAL A 72 114.092 8.416 -7.675 1.00 0.00 C ATOM 1159 C VAL A 72 112.952 9.216 -7.024 1.00 0.00 C ATOM 1160 O VAL A 72 111.853 9.279 -7.540 1.00 0.00 O ATOM 1161 CB VAL A 72 114.220 7.039 -7.013 1.00 0.00 C ATOM 1162 CG1 VAL A 72 112.848 6.360 -6.955 1.00 0.00 C ATOM 1163 CG2 VAL A 72 115.178 6.171 -7.835 1.00 0.00 C ATOM 0 H VAL A 72 116.040 8.742 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 72 113.873 8.279 -8.734 1.00 0.00 H new ATOM 0 HB VAL A 72 114.605 7.161 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 72 112.946 5.382 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 72 112.161 6.976 -6.374 1.00 0.00 H new ATOM 0 HG13 VAL A 72 112.459 6.238 -7.966 1.00 0.00 H new ATOM 0 HG21 VAL A 72 115.272 5.191 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 72 114.787 6.055 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 72 116.157 6.649 -7.877 1.00 0.00 H new ATOM 1173 N ILE A 73 113.201 9.813 -5.886 1.00 0.00 N ATOM 1174 CA ILE A 73 112.129 10.593 -5.191 1.00 0.00 C ATOM 1175 C ILE A 73 111.787 11.876 -5.965 1.00 0.00 C ATOM 1176 O ILE A 73 110.645 12.120 -6.300 1.00 0.00 O ATOM 1177 CB ILE A 73 112.617 10.986 -3.791 1.00 0.00 C ATOM 1178 CG1 ILE A 73 112.807 9.731 -2.935 1.00 0.00 C ATOM 1179 CG2 ILE A 73 111.582 11.902 -3.126 1.00 0.00 C ATOM 1180 CD1 ILE A 73 113.560 10.096 -1.654 1.00 0.00 C ATOM 0 H ILE A 73 114.101 9.795 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 73 111.238 9.968 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 73 113.569 11.510 -3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 73 111.838 9.296 -2.689 1.00 0.00 H new ATOM 0 HG13 ILE A 73 113.362 8.977 -3.494 1.00 0.00 H new ATOM 0 HG21 ILE A 73 111.929 12.181 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 73 111.450 12.800 -3.729 1.00 0.00 H new ATOM 0 HG23 ILE A 73 110.630 11.377 -3.044 1.00 0.00 H new ATOM 0 HD11 ILE A 73 113.695 9.203 -1.044 1.00 0.00 H new ATOM 0 HD12 ILE A 73 114.535 10.511 -1.911 1.00 0.00 H new ATOM 0 HD13 ILE A 73 112.987 10.835 -1.093 1.00 0.00 H new ATOM 1192 N ASN A 74 112.758 12.715 -6.218 1.00 0.00 N ATOM 1193 CA ASN A 74 112.469 13.996 -6.929 1.00 0.00 C ATOM 1194 C ASN A 74 111.870 13.719 -8.316 1.00 0.00 C ATOM 1195 O ASN A 74 110.955 14.393 -8.745 1.00 0.00 O ATOM 1196 CB ASN A 74 113.762 14.808 -7.057 1.00 0.00 C ATOM 1197 CG ASN A 74 114.738 14.083 -7.977 1.00 0.00 C ATOM 1198 OD1 ASN A 74 114.611 12.899 -8.191 1.00 0.00 O ATOM 1199 ND2 ASN A 74 115.716 14.744 -8.533 1.00 0.00 N ATOM 0 H ASN A 74 113.735 12.569 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 74 111.740 14.568 -6.355 1.00 0.00 H new ATOM 0 HB2 ASN A 74 113.542 15.799 -7.454 1.00 0.00 H new ATOM 0 HB3 ASN A 74 114.212 14.950 -6.074 1.00 0.00 H new ATOM 0 HD21 ASN A 74 116.373 14.263 -9.147 1.00 0.00 H new ATOM 0 HD22 ASN A 74 115.824 15.742 -8.353 1.00 0.00 H new ATOM 1206 N LYS A 75 112.360 12.731 -9.017 1.00 0.00 N ATOM 1207 CA LYS A 75 111.793 12.422 -10.366 1.00 0.00 C ATOM 1208 C LYS A 75 110.571 11.510 -10.202 1.00 0.00 C ATOM 1209 O LYS A 75 109.835 11.269 -11.138 1.00 0.00 O ATOM 1210 CB LYS A 75 112.855 11.725 -11.226 1.00 0.00 C ATOM 1211 CG LYS A 75 114.043 12.669 -11.481 1.00 0.00 C ATOM 1212 CD LYS A 75 113.677 13.732 -12.528 1.00 0.00 C ATOM 1213 CE LYS A 75 114.947 14.449 -12.991 1.00 0.00 C ATOM 1214 NZ LYS A 75 115.543 15.195 -11.846 1.00 0.00 N ATOM 0 H LYS A 75 113.125 12.126 -8.717 1.00 0.00 H new ATOM 0 HA LYS A 75 111.492 13.347 -10.858 1.00 0.00 H new ATOM 0 HB2 LYS A 75 113.202 10.821 -10.725 1.00 0.00 H new ATOM 0 HB3 LYS A 75 112.418 11.416 -12.175 1.00 0.00 H new ATOM 0 HG2 LYS A 75 114.335 13.154 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 75 114.903 12.094 -11.824 1.00 0.00 H new ATOM 0 HD2 LYS A 75 113.180 13.265 -13.378 1.00 0.00 H new ATOM 0 HD3 LYS A 75 112.975 14.450 -12.103 1.00 0.00 H new ATOM 0 HE2 LYS A 75 115.664 13.726 -13.380 1.00 0.00 H new ATOM 0 HE3 LYS A 75 114.713 15.136 -13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 116.280 15.840 -12.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 114.802 15.745 -11.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 115.964 14.522 -11.174 1.00 0.00 H new ATOM 1228 N LYS A 76 110.346 11.016 -9.012 1.00 0.00 N ATOM 1229 CA LYS A 76 109.165 10.134 -8.761 1.00 0.00 C ATOM 1230 C LYS A 76 109.230 8.879 -9.644 1.00 0.00 C ATOM 1231 O LYS A 76 108.296 8.558 -10.351 1.00 0.00 O ATOM 1232 CB LYS A 76 107.875 10.911 -9.051 1.00 0.00 C ATOM 1233 CG LYS A 76 106.674 10.164 -8.462 1.00 0.00 C ATOM 1234 CD LYS A 76 105.401 10.982 -8.690 1.00 0.00 C ATOM 1235 CE LYS A 76 104.185 10.164 -8.253 1.00 0.00 C ATOM 1236 NZ LYS A 76 104.503 9.443 -6.988 1.00 0.00 N ATOM 0 H LYS A 76 110.934 11.187 -8.196 1.00 0.00 H new ATOM 0 HA LYS A 76 109.175 9.821 -7.717 1.00 0.00 H new ATOM 0 HB2 LYS A 76 107.938 11.911 -8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 76 107.747 11.033 -10.127 1.00 0.00 H new ATOM 0 HG2 LYS A 76 106.577 9.184 -8.929 1.00 0.00 H new ATOM 0 HG3 LYS A 76 106.824 9.996 -7.396 1.00 0.00 H new ATOM 0 HD2 LYS A 76 105.448 11.913 -8.126 1.00 0.00 H new ATOM 0 HD3 LYS A 76 105.312 11.251 -9.742 1.00 0.00 H new ATOM 0 HE2 LYS A 76 103.326 10.819 -8.105 1.00 0.00 H new ATOM 0 HE3 LYS A 76 103.913 9.452 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 103.620 9.141 -6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 105.085 8.608 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 105.026 10.076 -6.350 1.00 0.00 H new ATOM 1250 N LEU A 77 110.324 8.160 -9.602 1.00 0.00 N ATOM 1251 CA LEU A 77 110.447 6.913 -10.426 1.00 0.00 C ATOM 1252 C LEU A 77 110.177 5.695 -9.535 1.00 0.00 C ATOM 1253 O LEU A 77 110.480 4.573 -9.891 1.00 0.00 O ATOM 1254 CB LEU A 77 111.862 6.812 -11.005 1.00 0.00 C ATOM 1255 CG LEU A 77 112.152 8.028 -11.891 1.00 0.00 C ATOM 1256 CD1 LEU A 77 113.593 7.941 -12.403 1.00 0.00 C ATOM 1257 CD2 LEU A 77 111.178 8.061 -13.084 1.00 0.00 C ATOM 0 H LEU A 77 111.140 8.382 -9.032 1.00 0.00 H new ATOM 0 HA LEU A 77 109.725 6.944 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 77 112.592 6.758 -10.197 1.00 0.00 H new ATOM 0 HB3 LEU A 77 111.962 5.896 -11.587 1.00 0.00 H new ATOM 0 HG LEU A 77 112.021 8.939 -11.308 1.00 0.00 H new ATOM 0 HD11 LEU A 77 113.807 8.803 -13.035 1.00 0.00 H new ATOM 0 HD12 LEU A 77 114.280 7.931 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 77 113.719 7.026 -12.983 1.00 0.00 H new ATOM 0 HD21 LEU A 77 111.394 8.930 -13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 77 111.296 7.153 -13.675 1.00 0.00 H new ATOM 0 HD23 LEU A 77 110.154 8.124 -12.716 1.00 0.00 H new ATOM 1269 N TRP A 78 109.609 5.911 -8.379 1.00 0.00 N ATOM 1270 CA TRP A 78 109.315 4.773 -7.457 1.00 0.00 C ATOM 1271 C TRP A 78 108.396 3.770 -8.155 1.00 0.00 C ATOM 1272 O TRP A 78 108.320 2.618 -7.776 1.00 0.00 O ATOM 1273 CB TRP A 78 108.620 5.298 -6.195 1.00 0.00 C ATOM 1274 CG TRP A 78 109.626 5.940 -5.298 1.00 0.00 C ATOM 1275 CD1 TRP A 78 109.872 7.266 -5.229 1.00 0.00 C ATOM 1276 CD2 TRP A 78 110.518 5.306 -4.338 1.00 0.00 C ATOM 1277 NE1 TRP A 78 110.863 7.487 -4.292 1.00 0.00 N ATOM 1278 CE2 TRP A 78 111.293 6.309 -3.714 1.00 0.00 C ATOM 1279 CE3 TRP A 78 110.728 3.969 -3.953 1.00 0.00 C ATOM 1280 CZ2 TRP A 78 112.244 5.999 -2.741 1.00 0.00 C ATOM 1281 CZ3 TRP A 78 111.683 3.652 -2.975 1.00 0.00 C ATOM 1282 CH2 TRP A 78 112.440 4.665 -2.371 1.00 0.00 C ATOM 0 H TRP A 78 109.335 6.830 -8.031 1.00 0.00 H new ATOM 0 HA TRP A 78 110.250 4.284 -7.184 1.00 0.00 H new ATOM 0 HB2 TRP A 78 107.848 6.018 -6.466 1.00 0.00 H new ATOM 0 HB3 TRP A 78 108.124 4.479 -5.674 1.00 0.00 H new ATOM 0 HD1 TRP A 78 109.376 8.029 -5.811 1.00 0.00 H new ATOM 0 HE1 TRP A 78 111.232 8.408 -4.056 1.00 0.00 H new ATOM 0 HE3 TRP A 78 110.150 3.181 -4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 112.824 6.783 -2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 111.835 2.622 -2.686 1.00 0.00 H new ATOM 0 HH2 TRP A 78 113.175 4.415 -1.620 1.00 0.00 H new ATOM 1293 N GLN A 79 107.695 4.195 -9.168 1.00 0.00 N ATOM 1294 CA GLN A 79 106.782 3.257 -9.873 1.00 0.00 C ATOM 1295 C GLN A 79 107.605 2.096 -10.433 1.00 0.00 C ATOM 1296 O GLN A 79 107.196 0.952 -10.387 1.00 0.00 O ATOM 1297 CB GLN A 79 106.080 3.993 -11.016 1.00 0.00 C ATOM 1298 CG GLN A 79 104.977 3.107 -11.596 1.00 0.00 C ATOM 1299 CD GLN A 79 103.838 2.984 -10.583 1.00 0.00 C ATOM 1300 OE1 GLN A 79 103.124 3.936 -10.335 1.00 0.00 O ATOM 1301 NE2 GLN A 79 103.637 1.844 -9.978 1.00 0.00 N ATOM 0 H GLN A 79 107.715 5.146 -9.536 1.00 0.00 H new ATOM 0 HA GLN A 79 106.031 2.875 -9.181 1.00 0.00 H new ATOM 0 HB2 GLN A 79 105.655 4.929 -10.653 1.00 0.00 H new ATOM 0 HB3 GLN A 79 106.800 4.250 -11.793 1.00 0.00 H new ATOM 0 HG2 GLN A 79 104.605 3.533 -12.528 1.00 0.00 H new ATOM 0 HG3 GLN A 79 105.375 2.121 -11.834 1.00 0.00 H new ATOM 0 HE21 GLN A 79 104.235 1.044 -10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 79 102.882 1.753 -9.298 1.00 0.00 H new ATOM 1310 N GLU A 80 108.767 2.380 -10.953 1.00 0.00 N ATOM 1311 CA GLU A 80 109.622 1.292 -11.505 1.00 0.00 C ATOM 1312 C GLU A 80 109.955 0.291 -10.393 1.00 0.00 C ATOM 1313 O GLU A 80 109.935 -0.906 -10.600 1.00 0.00 O ATOM 1314 CB GLU A 80 110.915 1.900 -12.053 1.00 0.00 C ATOM 1315 CG GLU A 80 110.602 2.705 -13.316 1.00 0.00 C ATOM 1316 CD GLU A 80 110.219 1.751 -14.450 1.00 0.00 C ATOM 1317 OE1 GLU A 80 111.041 0.921 -14.802 1.00 0.00 O ATOM 1318 OE2 GLU A 80 109.109 1.864 -14.943 1.00 0.00 O ATOM 0 H GLU A 80 109.161 3.318 -11.020 1.00 0.00 H new ATOM 0 HA GLU A 80 109.092 0.777 -12.306 1.00 0.00 H new ATOM 0 HB2 GLU A 80 111.374 2.544 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 80 111.633 1.112 -12.279 1.00 0.00 H new ATOM 0 HG2 GLU A 80 109.787 3.402 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 80 111.469 3.300 -13.605 1.00 0.00 H new ATOM 1325 N ILE A 81 110.253 0.770 -9.213 1.00 0.00 N ATOM 1326 CA ILE A 81 110.579 -0.158 -8.088 1.00 0.00 C ATOM 1327 C ILE A 81 109.307 -0.897 -7.660 1.00 0.00 C ATOM 1328 O ILE A 81 109.327 -2.077 -7.372 1.00 0.00 O ATOM 1329 CB ILE A 81 111.122 0.652 -6.903 1.00 0.00 C ATOM 1330 CG1 ILE A 81 112.485 1.254 -7.269 1.00 0.00 C ATOM 1331 CG2 ILE A 81 111.282 -0.262 -5.685 1.00 0.00 C ATOM 1332 CD1 ILE A 81 112.900 2.266 -6.202 1.00 0.00 C ATOM 0 H ILE A 81 110.285 1.762 -8.979 1.00 0.00 H new ATOM 0 HA ILE A 81 111.330 -0.879 -8.411 1.00 0.00 H new ATOM 0 HB ILE A 81 110.422 1.454 -6.667 1.00 0.00 H new ATOM 0 HG12 ILE A 81 113.233 0.465 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 81 112.430 1.739 -8.243 1.00 0.00 H new ATOM 0 HG21 ILE A 81 111.668 0.316 -4.845 1.00 0.00 H new ATOM 0 HG22 ILE A 81 110.314 -0.687 -5.419 1.00 0.00 H new ATOM 0 HG23 ILE A 81 111.978 -1.066 -5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 81 113.868 2.693 -6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 81 112.156 3.061 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 81 112.972 1.767 -5.236 1.00 0.00 H new ATOM 1344 N ILE A 82 108.201 -0.206 -7.625 1.00 0.00 N ATOM 1345 CA ILE A 82 106.919 -0.852 -7.225 1.00 0.00 C ATOM 1346 C ILE A 82 106.550 -1.952 -8.227 1.00 0.00 C ATOM 1347 O ILE A 82 106.078 -3.005 -7.852 1.00 0.00 O ATOM 1348 CB ILE A 82 105.821 0.224 -7.149 1.00 0.00 C ATOM 1349 CG1 ILE A 82 106.032 1.054 -5.869 1.00 0.00 C ATOM 1350 CG2 ILE A 82 104.423 -0.417 -7.137 1.00 0.00 C ATOM 1351 CD1 ILE A 82 105.192 2.337 -5.909 1.00 0.00 C ATOM 0 H ILE A 82 108.130 0.785 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 82 107.024 -1.318 -6.245 1.00 0.00 H new ATOM 0 HB ILE A 82 105.886 0.866 -8.028 1.00 0.00 H new ATOM 0 HG12 ILE A 82 105.758 0.461 -4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 82 107.087 1.307 -5.764 1.00 0.00 H new ATOM 0 HG21 ILE A 82 103.665 0.364 -7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 82 104.281 -0.998 -8.048 1.00 0.00 H new ATOM 0 HG23 ILE A 82 104.331 -1.073 -6.271 1.00 0.00 H new ATOM 0 HD11 ILE A 82 105.356 2.908 -4.995 1.00 0.00 H new ATOM 0 HD12 ILE A 82 105.486 2.938 -6.770 1.00 0.00 H new ATOM 0 HD13 ILE A 82 104.136 2.078 -5.990 1.00 0.00 H new ATOM 1537 N ALA A 95 104.376 3.401 -2.285 1.00 0.00 N ATOM 1538 CA ALA A 95 105.539 4.281 -2.610 1.00 0.00 C ATOM 1539 C ALA A 95 106.023 4.966 -1.331 1.00 0.00 C ATOM 1540 O ALA A 95 107.190 4.940 -0.996 1.00 0.00 O ATOM 1541 CB ALA A 95 105.105 5.353 -3.616 1.00 0.00 C ATOM 0 HA ALA A 95 106.341 3.680 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 95 105.954 5.995 -3.853 1.00 0.00 H new ATOM 0 HB2 ALA A 95 104.747 4.873 -4.527 1.00 0.00 H new ATOM 0 HB3 ALA A 95 104.305 5.954 -3.184 1.00 0.00 H new ATOM 1547 N PHE A 96 105.123 5.576 -0.617 1.00 0.00 N ATOM 1548 CA PHE A 96 105.500 6.269 0.650 1.00 0.00 C ATOM 1549 C PHE A 96 106.092 5.263 1.644 1.00 0.00 C ATOM 1550 O PHE A 96 107.031 5.556 2.357 1.00 0.00 O ATOM 1551 CB PHE A 96 104.254 6.914 1.259 1.00 0.00 C ATOM 1552 CG PHE A 96 104.618 7.622 2.543 1.00 0.00 C ATOM 1553 CD1 PHE A 96 105.008 8.967 2.516 1.00 0.00 C ATOM 1554 CD2 PHE A 96 104.561 6.935 3.761 1.00 0.00 C ATOM 1555 CE1 PHE A 96 105.342 9.623 3.706 1.00 0.00 C ATOM 1556 CE2 PHE A 96 104.895 7.590 4.952 1.00 0.00 C ATOM 1557 CZ PHE A 96 105.286 8.935 4.924 1.00 0.00 C ATOM 0 H PHE A 96 104.133 5.627 -0.856 1.00 0.00 H new ATOM 0 HA PHE A 96 106.246 7.034 0.434 1.00 0.00 H new ATOM 0 HB2 PHE A 96 103.819 7.622 0.554 1.00 0.00 H new ATOM 0 HB3 PHE A 96 103.498 6.153 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 96 105.051 9.498 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 96 104.259 5.898 3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 96 105.643 10.660 3.685 1.00 0.00 H new ATOM 0 HE2 PHE A 96 104.851 7.059 5.892 1.00 0.00 H new ATOM 0 HZ PHE A 96 105.544 9.441 5.842 1.00 0.00 H new ATOM 1567 N THR A 97 105.531 4.089 1.715 1.00 0.00 N ATOM 1568 CA THR A 97 106.042 3.071 2.678 1.00 0.00 C ATOM 1569 C THR A 97 107.459 2.623 2.290 1.00 0.00 C ATOM 1570 O THR A 97 108.307 2.427 3.135 1.00 0.00 O ATOM 1571 CB THR A 97 105.103 1.860 2.666 1.00 0.00 C ATOM 1572 OG1 THR A 97 103.789 2.282 3.008 1.00 0.00 O ATOM 1573 CG2 THR A 97 105.581 0.826 3.687 1.00 0.00 C ATOM 0 H THR A 97 104.739 3.788 1.147 1.00 0.00 H new ATOM 0 HA THR A 97 106.078 3.510 3.675 1.00 0.00 H new ATOM 0 HB THR A 97 105.102 1.414 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 97 103.185 1.510 3.000 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.911 -0.034 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 97 106.590 0.503 3.432 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.583 1.271 4.682 1.00 0.00 H new ATOM 1581 N LEU A 98 107.719 2.438 1.026 1.00 0.00 N ATOM 1582 CA LEU A 98 109.079 1.980 0.603 1.00 0.00 C ATOM 1583 C LEU A 98 110.142 3.039 0.926 1.00 0.00 C ATOM 1584 O LEU A 98 111.173 2.741 1.496 1.00 0.00 O ATOM 1585 CB LEU A 98 109.077 1.720 -0.910 1.00 0.00 C ATOM 1586 CG LEU A 98 108.334 0.407 -1.229 1.00 0.00 C ATOM 1587 CD1 LEU A 98 107.880 0.420 -2.691 1.00 0.00 C ATOM 1588 CD2 LEU A 98 109.263 -0.801 -1.017 1.00 0.00 C ATOM 0 H LEU A 98 107.053 2.583 0.267 1.00 0.00 H new ATOM 0 HA LEU A 98 109.320 1.067 1.147 1.00 0.00 H new ATOM 0 HB2 LEU A 98 108.598 2.551 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 98 110.102 1.664 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 98 107.474 0.325 -0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 98 107.355 -0.508 -2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 98 107.212 1.265 -2.857 1.00 0.00 H new ATOM 0 HD13 LEU A 98 108.750 0.512 -3.341 1.00 0.00 H new ATOM 0 HD21 LEU A 98 108.723 -1.720 -1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 98 110.128 -0.715 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 98 109.597 -0.826 0.020 1.00 0.00 H new ATOM 1600 N ARG A 99 109.916 4.263 0.536 1.00 0.00 N ATOM 1601 CA ARG A 99 110.931 5.332 0.783 1.00 0.00 C ATOM 1602 C ARG A 99 111.218 5.520 2.281 1.00 0.00 C ATOM 1603 O ARG A 99 112.346 5.748 2.670 1.00 0.00 O ATOM 1604 CB ARG A 99 110.437 6.652 0.182 1.00 0.00 C ATOM 1605 CG ARG A 99 109.081 7.019 0.780 1.00 0.00 C ATOM 1606 CD ARG A 99 108.557 8.304 0.130 1.00 0.00 C ATOM 1607 NE ARG A 99 107.963 7.984 -1.199 1.00 0.00 N ATOM 1608 CZ ARG A 99 107.536 8.947 -1.969 1.00 0.00 C ATOM 1609 NH1 ARG A 99 108.031 10.148 -1.846 1.00 0.00 N ATOM 1610 NH2 ARG A 99 106.611 8.710 -2.860 1.00 0.00 N ATOM 0 H ARG A 99 109.071 4.572 0.056 1.00 0.00 H new ATOM 0 HA ARG A 99 111.862 5.025 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 99 111.158 7.445 0.380 1.00 0.00 H new ATOM 0 HB3 ARG A 99 110.354 6.560 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 99 108.372 6.206 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 99 109.174 7.157 1.857 1.00 0.00 H new ATOM 0 HD2 ARG A 99 107.809 8.770 0.772 1.00 0.00 H new ATOM 0 HD3 ARG A 99 109.369 9.022 0.014 1.00 0.00 H new ATOM 0 HE ARG A 99 107.890 7.014 -1.506 1.00 0.00 H new ATOM 0 HH11 ARG A 99 108.751 10.334 -1.148 1.00 0.00 H new ATOM 0 HH12 ARG A 99 107.698 10.901 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 99 106.222 7.772 -2.954 1.00 0.00 H new ATOM 0 HH22 ARG A 99 106.278 9.463 -3.462 1.00 0.00 H new ATOM 1624 N THR A 100 110.222 5.465 3.128 1.00 0.00 N ATOM 1625 CA THR A 100 110.486 5.688 4.583 1.00 0.00 C ATOM 1626 C THR A 100 111.375 4.572 5.155 1.00 0.00 C ATOM 1627 O THR A 100 112.259 4.825 5.948 1.00 0.00 O ATOM 1628 CB THR A 100 109.151 5.784 5.352 1.00 0.00 C ATOM 1629 OG1 THR A 100 109.333 6.614 6.491 1.00 0.00 O ATOM 1630 CG2 THR A 100 108.665 4.403 5.809 1.00 0.00 C ATOM 0 H THR A 100 109.250 5.278 2.881 1.00 0.00 H new ATOM 0 HA THR A 100 111.022 6.629 4.702 1.00 0.00 H new ATOM 0 HB THR A 100 108.400 6.205 4.684 1.00 0.00 H new ATOM 0 HG1 THR A 100 108.489 6.682 6.985 1.00 0.00 H new ATOM 0 HG21 THR A 100 107.723 4.508 6.347 1.00 0.00 H new ATOM 0 HG22 THR A 100 108.516 3.763 4.939 1.00 0.00 H new ATOM 0 HG23 THR A 100 109.410 3.954 6.466 1.00 0.00 H new ATOM 1638 N GLN A 101 111.159 3.347 4.762 1.00 0.00 N ATOM 1639 CA GLN A 101 112.006 2.243 5.296 1.00 0.00 C ATOM 1640 C GLN A 101 113.461 2.515 4.923 1.00 0.00 C ATOM 1641 O GLN A 101 114.361 2.428 5.739 1.00 0.00 O ATOM 1642 CB GLN A 101 111.558 0.926 4.666 1.00 0.00 C ATOM 1643 CG GLN A 101 110.183 0.538 5.212 1.00 0.00 C ATOM 1644 CD GLN A 101 109.740 -0.778 4.574 1.00 0.00 C ATOM 1645 OE1 GLN A 101 110.298 -1.167 3.461 1.00 0.00 O flip ATOM 1646 NE2 GLN A 101 108.875 -1.458 5.091 1.00 0.00 N flip ATOM 0 H GLN A 101 110.438 3.064 4.099 1.00 0.00 H new ATOM 0 HA GLN A 101 111.908 2.183 6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 101 111.515 1.026 3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 101 112.282 0.141 4.885 1.00 0.00 H new ATOM 0 HG2 GLN A 101 110.226 0.434 6.296 1.00 0.00 H new ATOM 0 HG3 GLN A 101 109.458 1.323 4.995 1.00 0.00 H new ATOM 0 HE21 GLN A 101 108.439 -1.153 5.961 1.00 0.00 H new ATOM 0 HE22 GLN A 101 108.585 -2.333 4.654 1.00 0.00 H new ATOM 1655 N TYR A 102 113.688 2.858 3.688 1.00 0.00 N ATOM 1656 CA TYR A 102 115.067 3.156 3.224 1.00 0.00 C ATOM 1657 C TYR A 102 115.618 4.326 4.042 1.00 0.00 C ATOM 1658 O TYR A 102 116.748 4.321 4.488 1.00 0.00 O ATOM 1659 CB TYR A 102 115.005 3.554 1.748 1.00 0.00 C ATOM 1660 CG TYR A 102 116.391 3.548 1.144 1.00 0.00 C ATOM 1661 CD1 TYR A 102 117.286 4.587 1.416 1.00 0.00 C ATOM 1662 CD2 TYR A 102 116.775 2.499 0.303 1.00 0.00 C ATOM 1663 CE1 TYR A 102 118.565 4.573 0.843 1.00 0.00 C ATOM 1664 CE2 TYR A 102 118.048 2.487 -0.270 1.00 0.00 C ATOM 1665 CZ TYR A 102 118.942 3.523 0.000 1.00 0.00 C ATOM 1666 OH TYR A 102 120.193 3.513 -0.571 1.00 0.00 O ATOM 0 H TYR A 102 112.967 2.945 2.972 1.00 0.00 H new ATOM 0 HA TYR A 102 115.711 2.285 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 102 114.361 2.862 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 102 114.563 4.545 1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 102 116.993 5.398 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 102 116.084 1.695 0.096 1.00 0.00 H new ATOM 0 HE1 TYR A 102 119.259 5.373 1.053 1.00 0.00 H new ATOM 0 HE2 TYR A 102 118.340 1.677 -0.921 1.00 0.00 H new ATOM 0 HH TYR A 102 120.171 2.989 -1.399 1.00 0.00 H new ATOM 1676 N MET A 103 114.819 5.337 4.219 1.00 0.00 N ATOM 1677 CA MET A 103 115.270 6.533 4.979 1.00 0.00 C ATOM 1678 C MET A 103 115.649 6.174 6.423 1.00 0.00 C ATOM 1679 O MET A 103 116.586 6.712 6.977 1.00 0.00 O ATOM 1680 CB MET A 103 114.141 7.569 5.000 1.00 0.00 C ATOM 1681 CG MET A 103 114.620 8.833 5.723 1.00 0.00 C ATOM 1682 SD MET A 103 113.360 10.130 5.584 1.00 0.00 S ATOM 1683 CE MET A 103 113.557 10.507 3.820 1.00 0.00 C ATOM 0 H MET A 103 113.863 5.387 3.866 1.00 0.00 H new ATOM 0 HA MET A 103 116.154 6.936 4.485 1.00 0.00 H new ATOM 0 HB2 MET A 103 113.838 7.813 3.982 1.00 0.00 H new ATOM 0 HB3 MET A 103 113.266 7.159 5.504 1.00 0.00 H new ATOM 0 HG2 MET A 103 114.814 8.612 6.773 1.00 0.00 H new ATOM 0 HG3 MET A 103 115.560 9.177 5.291 1.00 0.00 H new ATOM 0 HE1 MET A 103 113.259 11.539 3.633 1.00 0.00 H new ATOM 0 HE2 MET A 103 114.600 10.373 3.534 1.00 0.00 H new ATOM 0 HE3 MET A 103 112.930 9.836 3.232 1.00 0.00 H new ATOM 1693 N LYS A 104 114.900 5.313 7.053 1.00 0.00 N ATOM 1694 CA LYS A 104 115.185 4.972 8.480 1.00 0.00 C ATOM 1695 C LYS A 104 116.582 4.350 8.680 1.00 0.00 C ATOM 1696 O LYS A 104 117.275 4.711 9.610 1.00 0.00 O ATOM 1697 CB LYS A 104 114.120 3.993 8.993 1.00 0.00 C ATOM 1698 CG LYS A 104 114.194 3.881 10.532 1.00 0.00 C ATOM 1699 CD LYS A 104 113.338 4.983 11.192 1.00 0.00 C ATOM 1700 CE LYS A 104 111.889 4.504 11.341 1.00 0.00 C ATOM 1701 NZ LYS A 104 111.814 3.480 12.420 1.00 0.00 N ATOM 0 H LYS A 104 114.101 4.829 6.643 1.00 0.00 H new ATOM 0 HA LYS A 104 115.161 5.905 9.043 1.00 0.00 H new ATOM 0 HB2 LYS A 104 113.129 4.333 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 104 114.270 3.012 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 104 113.842 2.899 10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 104 115.230 3.970 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 104 113.748 5.237 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 104 113.369 5.890 10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 104 111.239 5.346 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 104 111.535 4.083 10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 110.843 3.437 12.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 112.079 2.551 12.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 112.467 3.736 13.188 1.00 0.00 H new ATOM 1715 N TYR A 105 116.989 3.394 7.866 1.00 0.00 N ATOM 1716 CA TYR A 105 118.334 2.735 8.093 1.00 0.00 C ATOM 1717 C TYR A 105 119.281 2.852 6.891 1.00 0.00 C ATOM 1718 O TYR A 105 120.461 2.594 7.030 1.00 0.00 O ATOM 1719 CB TYR A 105 118.121 1.240 8.340 1.00 0.00 C ATOM 1720 CG TYR A 105 117.291 1.013 9.577 1.00 0.00 C ATOM 1721 CD1 TYR A 105 117.912 0.905 10.827 1.00 0.00 C ATOM 1722 CD2 TYR A 105 115.902 0.897 9.471 1.00 0.00 C ATOM 1723 CE1 TYR A 105 117.139 0.682 11.973 1.00 0.00 C ATOM 1724 CE2 TYR A 105 115.130 0.672 10.615 1.00 0.00 C ATOM 1725 CZ TYR A 105 115.748 0.564 11.866 1.00 0.00 C ATOM 1726 OH TYR A 105 114.986 0.339 12.995 1.00 0.00 O ATOM 0 H TYR A 105 116.461 3.044 7.067 1.00 0.00 H new ATOM 0 HA TYR A 105 118.785 3.248 8.942 1.00 0.00 H new ATOM 0 HB2 TYR A 105 117.627 0.792 7.478 1.00 0.00 H new ATOM 0 HB3 TYR A 105 119.086 0.744 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 105 118.985 0.994 10.907 1.00 0.00 H new ATOM 0 HD2 TYR A 105 115.425 0.981 8.506 1.00 0.00 H new ATOM 0 HE1 TYR A 105 117.615 0.601 12.939 1.00 0.00 H new ATOM 0 HE2 TYR A 105 114.057 0.582 10.533 1.00 0.00 H new ATOM 0 HH TYR A 105 114.040 0.284 12.745 1.00 0.00 H new ATOM 1736 N LEU A 106 118.801 3.169 5.713 1.00 0.00 N ATOM 1737 CA LEU A 106 119.724 3.210 4.521 1.00 0.00 C ATOM 1738 C LEU A 106 120.088 4.640 4.106 1.00 0.00 C ATOM 1739 O LEU A 106 120.849 4.828 3.177 1.00 0.00 O ATOM 1740 CB LEU A 106 119.051 2.476 3.349 1.00 0.00 C ATOM 1741 CG LEU A 106 119.121 0.946 3.580 1.00 0.00 C ATOM 1742 CD1 LEU A 106 117.983 0.249 2.822 1.00 0.00 C ATOM 1743 CD2 LEU A 106 120.466 0.393 3.074 1.00 0.00 C ATOM 0 H LEU A 106 117.826 3.399 5.520 1.00 0.00 H new ATOM 0 HA LEU A 106 120.656 2.718 4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 106 118.012 2.792 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 106 119.546 2.735 2.413 1.00 0.00 H new ATOM 0 HG LEU A 106 119.026 0.754 4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 106 118.039 -0.827 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 106 117.024 0.623 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 106 118.076 0.455 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 106 120.503 -0.683 3.242 1.00 0.00 H new ATOM 0 HD22 LEU A 106 120.566 0.598 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 106 121.283 0.873 3.613 1.00 0.00 H new ATOM 1755 N TYR A 107 119.607 5.658 4.769 1.00 0.00 N ATOM 1756 CA TYR A 107 120.024 7.029 4.346 1.00 0.00 C ATOM 1757 C TYR A 107 121.495 7.260 4.718 1.00 0.00 C ATOM 1758 O TYR A 107 122.228 7.858 3.956 1.00 0.00 O ATOM 1759 CB TYR A 107 119.158 8.130 4.978 1.00 0.00 C ATOM 1760 CG TYR A 107 119.387 9.417 4.222 1.00 0.00 C ATOM 1761 CD1 TYR A 107 120.443 10.257 4.593 1.00 0.00 C ATOM 1762 CD2 TYR A 107 118.557 9.763 3.151 1.00 0.00 C ATOM 1763 CE1 TYR A 107 120.669 11.446 3.893 1.00 0.00 C ATOM 1764 CE2 TYR A 107 118.784 10.952 2.449 1.00 0.00 C ATOM 1765 CZ TYR A 107 119.840 11.794 2.821 1.00 0.00 C ATOM 1766 OH TYR A 107 120.063 12.968 2.129 1.00 0.00 O ATOM 0 H TYR A 107 118.965 5.607 5.560 1.00 0.00 H new ATOM 0 HA TYR A 107 119.890 7.087 3.266 1.00 0.00 H new ATOM 0 HB2 TYR A 107 118.105 7.851 4.940 1.00 0.00 H new ATOM 0 HB3 TYR A 107 119.416 8.258 6.029 1.00 0.00 H new ATOM 0 HD1 TYR A 107 121.083 9.987 5.420 1.00 0.00 H new ATOM 0 HD2 TYR A 107 117.742 9.114 2.866 1.00 0.00 H new ATOM 0 HE1 TYR A 107 121.483 12.095 4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 107 118.145 11.220 1.621 1.00 0.00 H new ATOM 0 HH TYR A 107 119.398 13.058 1.414 1.00 0.00 H new ATOM 1776 N PRO A 108 121.948 6.799 5.870 1.00 0.00 N ATOM 1777 CA PRO A 108 123.369 7.006 6.260 1.00 0.00 C ATOM 1778 C PRO A 108 124.294 6.053 5.495 1.00 0.00 C ATOM 1779 O PRO A 108 125.418 6.381 5.172 1.00 0.00 O ATOM 1780 CB PRO A 108 123.350 6.676 7.771 1.00 0.00 C ATOM 1781 CG PRO A 108 121.909 6.284 8.159 1.00 0.00 C ATOM 1782 CD PRO A 108 121.120 6.054 6.863 1.00 0.00 C ATOM 0 HA PRO A 108 123.742 8.006 6.039 1.00 0.00 H new ATOM 0 HB2 PRO A 108 124.038 5.860 7.991 1.00 0.00 H new ATOM 0 HB3 PRO A 108 123.680 7.537 8.353 1.00 0.00 H new ATOM 0 HG2 PRO A 108 121.910 5.382 8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 108 121.446 7.072 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 108 121.038 4.996 6.616 1.00 0.00 H new ATOM 0 HD3 PRO A 108 120.105 6.446 6.926 1.00 0.00 H new ATOM 1790 N TYR A 109 123.822 4.869 5.218 1.00 0.00 N ATOM 1791 CA TYR A 109 124.664 3.885 4.488 1.00 0.00 C ATOM 1792 C TYR A 109 124.900 4.383 3.062 1.00 0.00 C ATOM 1793 O TYR A 109 126.024 4.542 2.627 1.00 0.00 O ATOM 1794 CB TYR A 109 123.945 2.528 4.461 1.00 0.00 C ATOM 1795 CG TYR A 109 124.947 1.431 4.182 1.00 0.00 C ATOM 1796 CD1 TYR A 109 125.956 1.169 5.115 1.00 0.00 C ATOM 1797 CD2 TYR A 109 124.874 0.683 2.999 1.00 0.00 C ATOM 1798 CE1 TYR A 109 126.891 0.163 4.870 1.00 0.00 C ATOM 1799 CE2 TYR A 109 125.812 -0.325 2.754 1.00 0.00 C ATOM 1800 CZ TYR A 109 126.821 -0.586 3.689 1.00 0.00 C ATOM 1801 OH TYR A 109 127.745 -1.583 3.449 1.00 0.00 O ATOM 0 H TYR A 109 122.888 4.542 5.467 1.00 0.00 H new ATOM 0 HA TYR A 109 125.625 3.771 4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.449 2.348 5.415 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.170 2.530 3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 109 126.011 1.746 6.026 1.00 0.00 H new ATOM 0 HD2 TYR A 109 124.095 0.885 2.278 1.00 0.00 H new ATOM 0 HE1 TYR A 109 127.669 -0.038 5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 109 125.758 -0.902 1.843 1.00 0.00 H new ATOM 0 HH TYR A 109 127.553 -2.006 2.586 1.00 0.00 H new ATOM 1811 N GLU A 110 123.850 4.647 2.339 1.00 0.00 N ATOM 1812 CA GLU A 110 124.008 5.154 0.953 1.00 0.00 C ATOM 1813 C GLU A 110 124.829 6.442 0.993 1.00 0.00 C ATOM 1814 O GLU A 110 125.779 6.615 0.256 1.00 0.00 O ATOM 1815 CB GLU A 110 122.622 5.449 0.385 1.00 0.00 C ATOM 1816 CG GLU A 110 122.739 5.976 -1.046 1.00 0.00 C ATOM 1817 CD GLU A 110 121.338 6.110 -1.647 1.00 0.00 C ATOM 1818 OE1 GLU A 110 120.394 6.197 -0.879 1.00 0.00 O ATOM 1819 OE2 GLU A 110 121.231 6.109 -2.862 1.00 0.00 O ATOM 0 H GLU A 110 122.886 4.532 2.651 1.00 0.00 H new ATOM 0 HA GLU A 110 124.514 4.417 0.329 1.00 0.00 H new ATOM 0 HB2 GLU A 110 122.015 4.544 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 110 122.113 6.183 1.010 1.00 0.00 H new ATOM 0 HG2 GLU A 110 123.244 6.942 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 110 123.343 5.297 -1.648 1.00 0.00 H new ATOM 1826 N CYS A 111 124.456 7.349 1.853 1.00 0.00 N ATOM 1827 CA CYS A 111 125.189 8.639 1.962 1.00 0.00 C ATOM 1828 C CYS A 111 126.652 8.402 2.359 1.00 0.00 C ATOM 1829 O CYS A 111 127.553 9.020 1.831 1.00 0.00 O ATOM 1830 CB CYS A 111 124.514 9.512 3.022 1.00 0.00 C ATOM 1831 SG CYS A 111 125.397 11.085 3.164 1.00 0.00 S ATOM 0 H CYS A 111 123.666 7.249 2.491 1.00 0.00 H new ATOM 0 HA CYS A 111 125.167 9.137 0.993 1.00 0.00 H new ATOM 0 HB2 CYS A 111 123.473 9.691 2.752 1.00 0.00 H new ATOM 0 HB3 CYS A 111 124.510 8.997 3.983 1.00 0.00 H new ATOM 0 HG CYS A 111 124.821 11.826 4.063 1.00 0.00 H new ATOM 1837 N GLU A 112 126.905 7.535 3.300 1.00 0.00 N ATOM 1838 CA GLU A 112 128.319 7.312 3.718 1.00 0.00 C ATOM 1839 C GLU A 112 129.098 6.603 2.604 1.00 0.00 C ATOM 1840 O GLU A 112 130.212 6.973 2.292 1.00 0.00 O ATOM 1841 CB GLU A 112 128.348 6.467 4.998 1.00 0.00 C ATOM 1842 CG GLU A 112 129.792 6.297 5.491 1.00 0.00 C ATOM 1843 CD GLU A 112 130.400 7.666 5.814 1.00 0.00 C ATOM 1844 OE1 GLU A 112 129.642 8.578 6.096 1.00 0.00 O ATOM 1845 OE2 GLU A 112 131.616 7.777 5.774 1.00 0.00 O ATOM 0 H GLU A 112 126.206 6.978 3.792 1.00 0.00 H new ATOM 0 HA GLU A 112 128.789 8.276 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 112 127.746 6.945 5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 112 127.904 5.490 4.807 1.00 0.00 H new ATOM 0 HG2 GLU A 112 129.810 5.664 6.378 1.00 0.00 H new ATOM 0 HG3 GLU A 112 130.389 5.796 4.729 1.00 0.00 H new ATOM 1852 N LYS A 113 128.538 5.583 2.007 1.00 0.00 N ATOM 1853 CA LYS A 113 129.281 4.866 0.929 1.00 0.00 C ATOM 1854 C LYS A 113 129.449 5.742 -0.325 1.00 0.00 C ATOM 1855 O LYS A 113 130.488 5.711 -0.953 1.00 0.00 O ATOM 1856 CB LYS A 113 128.535 3.579 0.555 1.00 0.00 C ATOM 1857 CG LYS A 113 128.630 2.548 1.693 1.00 0.00 C ATOM 1858 CD LYS A 113 129.991 1.826 1.649 1.00 0.00 C ATOM 1859 CE LYS A 113 129.980 0.642 2.617 1.00 0.00 C ATOM 1860 NZ LYS A 113 131.183 -0.205 2.371 1.00 0.00 N ATOM 0 H LYS A 113 127.609 5.219 2.216 1.00 0.00 H new ATOM 0 HA LYS A 113 130.274 4.627 1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 113 127.489 3.805 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 113 128.957 3.160 -0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 113 128.506 3.046 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 113 127.822 1.822 1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 113 130.196 1.478 0.637 1.00 0.00 H new ATOM 0 HD3 LYS A 113 130.789 2.518 1.916 1.00 0.00 H new ATOM 0 HE2 LYS A 113 129.977 0.999 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 113 129.072 0.054 2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 131.180 -1.012 3.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 131.167 -0.555 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 132.043 0.361 2.522 1.00 0.00 H new ATOM 1874 N LYS A 114 128.445 6.501 -0.714 1.00 0.00 N ATOM 1875 CA LYS A 114 128.571 7.351 -1.955 1.00 0.00 C ATOM 1876 C LYS A 114 128.315 8.835 -1.671 1.00 0.00 C ATOM 1877 O LYS A 114 128.688 9.682 -2.459 1.00 0.00 O ATOM 1878 CB LYS A 114 127.573 6.853 -3.007 1.00 0.00 C ATOM 1879 CG LYS A 114 128.068 5.523 -3.579 1.00 0.00 C ATOM 1880 CD LYS A 114 127.087 5.006 -4.633 1.00 0.00 C ATOM 1881 CE LYS A 114 127.646 3.726 -5.279 1.00 0.00 C ATOM 1882 NZ LYS A 114 126.519 2.839 -5.671 1.00 0.00 N ATOM 0 H LYS A 114 127.549 6.570 -0.232 1.00 0.00 H new ATOM 0 HA LYS A 114 129.594 7.260 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 114 126.587 6.726 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 114 127.469 7.589 -3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 114 129.055 5.654 -4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 114 128.173 4.791 -2.779 1.00 0.00 H new ATOM 0 HD2 LYS A 114 126.120 4.801 -4.174 1.00 0.00 H new ATOM 0 HD3 LYS A 114 126.923 5.768 -5.395 1.00 0.00 H new ATOM 0 HE2 LYS A 114 128.246 3.979 -6.153 1.00 0.00 H new ATOM 0 HE3 LYS A 114 128.304 3.210 -4.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 126.724 2.404 -6.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 126.399 2.094 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 125.645 3.398 -5.739 1.00 0.00 H new ATOM 1896 N ASN A 115 127.688 9.183 -0.578 1.00 0.00 N ATOM 1897 CA ASN A 115 127.441 10.638 -0.322 1.00 0.00 C ATOM 1898 C ASN A 115 126.796 11.255 -1.568 1.00 0.00 C ATOM 1899 O ASN A 115 127.263 12.239 -2.106 1.00 0.00 O ATOM 1900 CB ASN A 115 128.772 11.333 -0.030 1.00 0.00 C ATOM 1901 CG ASN A 115 128.515 12.767 0.437 1.00 0.00 C ATOM 1902 OD1 ASN A 115 127.296 13.147 0.711 1.00 0.00 O flip ATOM 1903 ND2 ASN A 115 129.435 13.554 0.548 1.00 0.00 N flip ATOM 0 H ASN A 115 127.342 8.542 0.136 1.00 0.00 H new ATOM 0 HA ASN A 115 126.778 10.762 0.534 1.00 0.00 H new ATOM 0 HB2 ASN A 115 129.319 10.784 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 115 129.394 11.338 -0.925 1.00 0.00 H new ATOM 0 HD21 ASN A 115 130.388 13.258 0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 115 129.254 14.510 0.855 1.00 0.00 H new ATOM 1910 N LEU A 116 125.742 10.654 -2.040 1.00 0.00 N ATOM 1911 CA LEU A 116 125.060 11.154 -3.269 1.00 0.00 C ATOM 1912 C LEU A 116 124.564 12.586 -3.078 1.00 0.00 C ATOM 1913 O LEU A 116 124.610 13.391 -3.989 1.00 0.00 O ATOM 1914 CB LEU A 116 123.841 10.273 -3.553 1.00 0.00 C ATOM 1915 CG LEU A 116 124.269 8.817 -3.770 1.00 0.00 C ATOM 1916 CD1 LEU A 116 123.019 7.930 -3.804 1.00 0.00 C ATOM 1917 CD2 LEU A 116 125.033 8.677 -5.097 1.00 0.00 C ATOM 0 H LEU A 116 125.317 9.826 -1.622 1.00 0.00 H new ATOM 0 HA LEU A 116 125.775 11.125 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 116 123.140 10.332 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 116 123.318 10.640 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 116 124.924 8.510 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 116 123.314 6.892 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 116 122.484 8.019 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 116 122.370 8.248 -4.620 1.00 0.00 H new ATOM 0 HD21 LEU A 116 125.331 7.638 -5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 116 124.390 8.985 -5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 116 125.921 9.309 -5.074 1.00 0.00 H new ATOM 1929 N SER A 117 124.039 12.907 -1.928 1.00 0.00 N ATOM 1930 CA SER A 117 123.490 14.280 -1.725 1.00 0.00 C ATOM 1931 C SER A 117 123.516 14.649 -0.237 1.00 0.00 C ATOM 1932 O SER A 117 124.126 13.969 0.563 1.00 0.00 O ATOM 1933 CB SER A 117 122.053 14.287 -2.252 1.00 0.00 C ATOM 1934 OG SER A 117 121.148 14.135 -1.165 1.00 0.00 O ATOM 0 H SER A 117 123.966 12.284 -1.124 1.00 0.00 H new ATOM 0 HA SER A 117 124.093 15.015 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 117 121.852 15.220 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 117 121.914 13.479 -2.970 1.00 0.00 H new ATOM 0 HG SER A 117 120.971 13.182 -1.017 1.00 0.00 H new ATOM 1940 N THR A 118 122.865 15.736 0.141 1.00 0.00 N ATOM 1941 CA THR A 118 122.860 16.162 1.582 1.00 0.00 C ATOM 1942 C THR A 118 121.407 16.394 2.034 1.00 0.00 C ATOM 1943 O THR A 118 120.556 16.702 1.232 1.00 0.00 O ATOM 1944 CB THR A 118 123.661 17.470 1.708 1.00 0.00 C ATOM 1945 OG1 THR A 118 123.370 18.306 0.596 1.00 0.00 O ATOM 1946 CG2 THR A 118 125.162 17.163 1.738 1.00 0.00 C ATOM 0 H THR A 118 122.339 16.343 -0.488 1.00 0.00 H new ATOM 0 HA THR A 118 123.311 15.392 2.208 1.00 0.00 H new ATOM 0 HB THR A 118 123.383 17.976 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 118 123.877 19.141 0.673 1.00 0.00 H new ATOM 0 HG21 THR A 118 125.722 18.094 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.385 16.522 2.591 1.00 0.00 H new ATOM 0 HG23 THR A 118 125.448 16.655 0.817 1.00 0.00 H new ATOM 1954 N PRO A 119 121.102 16.241 3.302 1.00 0.00 N ATOM 1955 CA PRO A 119 119.706 16.450 3.767 1.00 0.00 C ATOM 1956 C PRO A 119 119.123 17.795 3.291 1.00 0.00 C ATOM 1957 O PRO A 119 117.924 17.990 3.284 1.00 0.00 O ATOM 1958 CB PRO A 119 119.846 16.393 5.304 1.00 0.00 C ATOM 1959 CG PRO A 119 121.330 16.145 5.651 1.00 0.00 C ATOM 1960 CD PRO A 119 122.092 15.855 4.346 1.00 0.00 C ATOM 0 HA PRO A 119 119.012 15.710 3.369 1.00 0.00 H new ATOM 0 HB2 PRO A 119 119.503 17.326 5.751 1.00 0.00 H new ATOM 0 HB3 PRO A 119 119.223 15.597 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 119 121.753 17.016 6.152 1.00 0.00 H new ATOM 0 HG3 PRO A 119 121.423 15.305 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 119 123.008 16.441 4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 119 122.377 14.806 4.267 1.00 0.00 H new ATOM 1968 N ALA A 120 119.958 18.718 2.895 1.00 0.00 N ATOM 1969 CA ALA A 120 119.440 20.040 2.423 1.00 0.00 C ATOM 1970 C ALA A 120 118.690 19.860 1.100 1.00 0.00 C ATOM 1971 O ALA A 120 117.520 20.184 0.973 1.00 0.00 O ATOM 1972 CB ALA A 120 120.608 21.006 2.217 1.00 0.00 C ATOM 0 H ALA A 120 120.973 18.617 2.877 1.00 0.00 H new ATOM 0 HA ALA A 120 118.760 20.445 3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 120 120.228 21.968 1.873 1.00 0.00 H new ATOM 0 HB2 ALA A 120 121.139 21.141 3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 120 121.290 20.598 1.471 1.00 0.00 H new ATOM 1978 N GLU A 121 119.360 19.343 0.110 1.00 0.00 N ATOM 1979 CA GLU A 121 118.702 19.138 -1.204 1.00 0.00 C ATOM 1980 C GLU A 121 117.616 18.076 -1.054 1.00 0.00 C ATOM 1981 O GLU A 121 116.671 18.026 -1.816 1.00 0.00 O ATOM 1982 CB GLU A 121 119.741 18.705 -2.250 1.00 0.00 C ATOM 1983 CG GLU A 121 120.587 17.548 -1.729 1.00 0.00 C ATOM 1984 CD GLU A 121 119.748 16.267 -1.720 1.00 0.00 C ATOM 1985 OE1 GLU A 121 119.360 15.833 -2.791 1.00 0.00 O ATOM 1986 OE2 GLU A 121 119.509 15.742 -0.646 1.00 0.00 O ATOM 0 H GLU A 121 120.337 19.054 0.156 1.00 0.00 H new ATOM 0 HA GLU A 121 118.249 20.070 -1.541 1.00 0.00 H new ATOM 0 HB2 GLU A 121 119.236 18.407 -3.169 1.00 0.00 H new ATOM 0 HB3 GLU A 121 120.385 19.548 -2.500 1.00 0.00 H new ATOM 0 HG2 GLU A 121 121.467 17.415 -2.358 1.00 0.00 H new ATOM 0 HG3 GLU A 121 120.944 17.769 -0.723 1.00 0.00 H new ATOM 1993 N LEU A 122 117.732 17.236 -0.062 1.00 0.00 N ATOM 1994 CA LEU A 122 116.694 16.192 0.147 1.00 0.00 C ATOM 1995 C LEU A 122 115.375 16.892 0.450 1.00 0.00 C ATOM 1996 O LEU A 122 114.325 16.498 -0.017 1.00 0.00 O ATOM 1997 CB LEU A 122 117.078 15.318 1.342 1.00 0.00 C ATOM 1998 CG LEU A 122 116.016 14.230 1.577 1.00 0.00 C ATOM 1999 CD1 LEU A 122 115.917 13.316 0.345 1.00 0.00 C ATOM 2000 CD2 LEU A 122 116.417 13.403 2.802 1.00 0.00 C ATOM 0 H LEU A 122 118.499 17.229 0.610 1.00 0.00 H new ATOM 0 HA LEU A 122 116.606 15.567 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 122 118.049 14.855 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 122 117.178 15.936 2.235 1.00 0.00 H new ATOM 0 HG LEU A 122 115.046 14.697 1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 122 115.163 12.549 0.521 1.00 0.00 H new ATOM 0 HD12 LEU A 122 115.636 13.908 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 122 116.882 12.842 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 122 115.671 12.628 2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 122 117.387 12.939 2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 122 116.479 14.053 3.675 1.00 0.00 H new ATOM 2012 N GLN A 123 115.425 17.934 1.234 1.00 0.00 N ATOM 2013 CA GLN A 123 114.176 18.661 1.566 1.00 0.00 C ATOM 2014 C GLN A 123 113.560 19.175 0.270 1.00 0.00 C ATOM 2015 O GLN A 123 112.362 19.121 0.080 1.00 0.00 O ATOM 2016 CB GLN A 123 114.485 19.836 2.502 1.00 0.00 C ATOM 2017 CG GLN A 123 114.885 19.315 3.889 1.00 0.00 C ATOM 2018 CD GLN A 123 113.700 18.593 4.540 1.00 0.00 C ATOM 2019 OE1 GLN A 123 112.605 19.119 4.587 1.00 0.00 O ATOM 2020 NE2 GLN A 123 113.876 17.407 5.055 1.00 0.00 N ATOM 0 H GLN A 123 116.275 18.309 1.656 1.00 0.00 H new ATOM 0 HA GLN A 123 113.479 17.993 2.072 1.00 0.00 H new ATOM 0 HB2 GLN A 123 115.291 20.440 2.086 1.00 0.00 H new ATOM 0 HB3 GLN A 123 113.612 20.483 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 123 115.732 18.635 3.801 1.00 0.00 H new ATOM 0 HG3 GLN A 123 115.207 20.144 4.519 1.00 0.00 H new ATOM 0 HE21 GLN A 123 114.795 16.965 5.016 1.00 0.00 H new ATOM 0 HE22 GLN A 123 113.095 16.922 5.497 1.00 0.00 H new ATOM 2029 N ALA A 124 114.368 19.652 -0.638 1.00 0.00 N ATOM 2030 CA ALA A 124 113.802 20.137 -1.927 1.00 0.00 C ATOM 2031 C ALA A 124 113.082 18.967 -2.602 1.00 0.00 C ATOM 2032 O ALA A 124 111.989 19.104 -3.126 1.00 0.00 O ATOM 2033 CB ALA A 124 114.929 20.640 -2.834 1.00 0.00 C ATOM 0 H ALA A 124 115.381 19.726 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 124 113.107 20.957 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 124 114.508 20.993 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 124 115.455 21.458 -2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 124 115.627 19.827 -3.031 1.00 0.00 H new ATOM 2039 N ALA A 125 113.681 17.805 -2.571 1.00 0.00 N ATOM 2040 CA ALA A 125 113.034 16.618 -3.189 1.00 0.00 C ATOM 2041 C ALA A 125 111.762 16.288 -2.409 1.00 0.00 C ATOM 2042 O ALA A 125 110.736 15.973 -2.977 1.00 0.00 O ATOM 2043 CB ALA A 125 113.997 15.424 -3.130 1.00 0.00 C ATOM 0 H ALA A 125 114.590 17.630 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 125 112.786 16.829 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 125 113.524 14.552 -3.583 1.00 0.00 H new ATOM 0 HB2 ALA A 125 114.910 15.666 -3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 125 114.242 15.205 -2.091 1.00 0.00 H new ATOM 2049 N ILE A 126 111.823 16.365 -1.107 1.00 0.00 N ATOM 2050 CA ILE A 126 110.614 16.058 -0.290 1.00 0.00 C ATOM 2051 C ILE A 126 109.560 17.157 -0.464 1.00 0.00 C ATOM 2052 O ILE A 126 108.380 16.884 -0.541 1.00 0.00 O ATOM 2053 CB ILE A 126 111.002 15.965 1.187 1.00 0.00 C ATOM 2054 CG1 ILE A 126 111.839 14.703 1.416 1.00 0.00 C ATOM 2055 CG2 ILE A 126 109.737 15.909 2.045 1.00 0.00 C ATOM 2056 CD1 ILE A 126 112.443 14.739 2.821 1.00 0.00 C ATOM 0 H ILE A 126 112.654 16.626 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 126 110.199 15.108 -0.625 1.00 0.00 H new ATOM 0 HB ILE A 126 111.587 16.841 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 126 111.217 13.815 1.299 1.00 0.00 H new ATOM 0 HG13 ILE A 126 112.631 14.639 0.670 1.00 0.00 H new ATOM 0 HG21 ILE A 126 110.014 15.843 3.097 1.00 0.00 H new ATOM 0 HG22 ILE A 126 109.146 16.810 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 126 109.148 15.034 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 126 113.039 13.841 2.984 1.00 0.00 H new ATOM 0 HD12 ILE A 126 113.078 15.619 2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 126 111.643 14.783 3.560 1.00 0.00 H new