USER MOD reduce.3.24.130724 H: found=0, std=0, add=1142, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 967 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 93 TYR OH : rot -14:sc= 1 USER MOD Set 1.2: A 128 GLN : amide:sc= -0.171 X(o=0.83,f=0.5) USER MOD Set 2.1: A 79 TYR OH : rot -114:sc= 2.49 USER MOD Set 2.2: A 106 HIS : no HE2:sc= 0.4 K(o=4.8,f=-4.8!) USER MOD Set 2.3: A 107 CYS SG : rot 72:sc= 1.88 USER MOD Set 3.1: A 77 TYR OH : rot -130:sc= 1.17 USER MOD Set 3.2: A 110 ASN : amide:sc= -0.843! X(o=0.33!,f=0.26) USER MOD Set 4.1: A 24 CYS SG : rot 93:sc= 0.288 USER MOD Set 4.2: A 116 SER OG : rot -92:sc= 1.25 USER MOD Set 4.3: A 150 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 16 TYR OH : rot 180:sc= 0.871 USER MOD Set 5.2: A 133 SER OG : rot -71:sc= 0.649 USER MOD Single : A 15 THR OG1 : rot 85:sc= 0.00277 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 167:sc= -0.0471 (180deg=-0.234) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 90:sc= 0.501 USER MOD Single : A 32 HIS : no HD1:sc= -0.789 K(o=-0.79,f=-1.3) USER MOD Single : A 33 CYS SG : rot 180:sc= -1.71 USER MOD Single : A 35 SER OG : rot 180:sc= 0.038 USER MOD Single : A 38 CYS SG : rot -5:sc= 0.625 USER MOD Single : A 40 MET CE :methyl 157:sc= -1.06 (180deg=-1.63) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0641 (180deg=-0.303) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -158:sc= -0.33 (180deg=-0.837) USER MOD Single : A 56 GLN : amide:sc= 0.282 X(o=0.28,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -153:sc= 1.11 (180deg=0.602) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -78:sc= 0.584 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -84:sc= 1.33 USER MOD Single : A 84 LYS NZ :NH3+ 141:sc= 0.544 (180deg=0.0398) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot -33:sc= 0.509 USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.0484 F(o=-0.74,f=-0.048) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc=-0.00218 USER MOD Single : A 95 ASN : amide:sc= 0.132 X(o=0.13,f=-0.12) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 7:sc= 1.25 USER MOD Single : A 103 MET CE :methyl -161:sc= -1.58! (180deg=-1.9) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0.373 (180deg=0.373) USER MOD Single : A 105 SER OG : rot 91:sc= 1.23 USER MOD Single : A 109 LYS NZ :NH3+ -161:sc= -0.0681 (180deg=-0.499) USER MOD Single : A 113 THR OG1 : rot 62:sc= 0.412 USER MOD Single : A 117 MET CE :methyl 170:sc= -1.14 (180deg=-1.24) USER MOD Single : A 122 CYS SG : rot 3:sc= -4.54! USER MOD Single : A 131 ASN :FLIP amide:sc= -0.271 F(o=-2.5!,f=-0.27) USER MOD Single : A 135 MET CE :methyl 166:sc= -0.213 (180deg=-0.481) USER MOD Single : A 143 THR OG1 : rot -65:sc= 1.22 USER MOD Single : A 146 LYS NZ :NH3+ 147:sc= 2.19 (180deg=-0.894!) USER MOD Single : A 148 THR OG1 : rot -170:sc= -0.0565 USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 125 N ARG A 13 -14.823 -0.054 -0.170 1.00 42.32 N ATOM 126 CA ARG A 13 -13.522 -0.052 0.452 1.00 20.23 C ATOM 127 C ARG A 13 -12.451 -0.079 -0.602 1.00 23.31 C ATOM 128 O ARG A 13 -11.603 0.794 -0.652 1.00 5.23 O ATOM 129 CB ARG A 13 -13.376 -1.232 1.419 1.00 74.33 C ATOM 130 CG ARG A 13 -14.399 -1.256 2.569 1.00 4.13 C ATOM 131 CD ARG A 13 -14.275 -0.057 3.522 1.00 43.21 C ATOM 132 NE ARG A 13 -14.540 1.241 2.886 1.00 70.24 N ATOM 133 CZ ARG A 13 -14.343 2.430 3.457 1.00 34.24 C ATOM 134 NH1 ARG A 13 -13.839 2.510 4.683 1.00 25.34 N ATOM 135 NH2 ARG A 13 -14.631 3.530 2.785 1.00 20.22 N ATOM 0 HA ARG A 13 -13.413 0.863 1.034 1.00 20.23 H new ATOM 0 HB2 ARG A 13 -13.465 -2.160 0.854 1.00 74.33 H new ATOM 0 HB3 ARG A 13 -12.373 -1.213 1.845 1.00 74.33 H new ATOM 0 HG2 ARG A 13 -15.405 -1.275 2.150 1.00 4.13 H new ATOM 0 HG3 ARG A 13 -14.273 -2.177 3.138 1.00 4.13 H new ATOM 0 HD2 ARG A 13 -14.969 -0.192 4.352 1.00 43.21 H new ATOM 0 HD3 ARG A 13 -13.271 -0.045 3.945 1.00 43.21 H new ATOM 0 HE ARG A 13 -14.903 1.232 1.933 1.00 70.24 H new ATOM 0 HH11 ARG A 13 -13.600 1.659 5.193 1.00 25.34 H new ATOM 0 HH12 ARG A 13 -13.690 3.422 5.115 1.00 25.34 H new ATOM 0 HH21 ARG A 13 -15.001 3.466 1.837 1.00 20.22 H new ATOM 0 HH22 ARG A 13 -14.483 4.443 3.214 1.00 20.22 H new ATOM 147 N ILE A 14 -12.518 -1.062 -1.455 1.00 31.31 N ATOM 148 CA ILE A 14 -11.566 -1.210 -2.511 1.00 25.32 C ATOM 149 C ILE A 14 -12.172 -0.845 -3.849 1.00 15.24 C ATOM 150 O ILE A 14 -13.108 -1.486 -4.329 1.00 52.21 O ATOM 151 CB ILE A 14 -10.939 -2.629 -2.551 1.00 11.20 C ATOM 152 CG1 ILE A 14 -10.072 -2.845 -1.302 1.00 33.04 C ATOM 153 CG2 ILE A 14 -10.137 -2.855 -3.831 1.00 21.02 C ATOM 154 CD1 ILE A 14 -9.349 -4.166 -1.274 1.00 0.11 C ATOM 0 H ILE A 14 -13.238 -1.784 -1.435 1.00 31.31 H new ATOM 0 HA ILE A 14 -10.755 -0.512 -2.302 1.00 25.32 H new ATOM 0 HB ILE A 14 -11.744 -3.364 -2.552 1.00 11.20 H new ATOM 0 HG12 ILE A 14 -9.339 -2.041 -1.239 1.00 33.04 H new ATOM 0 HG13 ILE A 14 -10.704 -2.771 -0.417 1.00 33.04 H new ATOM 0 HG21 ILE A 14 -9.714 -3.859 -3.822 1.00 21.02 H new ATOM 0 HG22 ILE A 14 -10.792 -2.745 -4.695 1.00 21.02 H new ATOM 0 HG23 ILE A 14 -9.332 -2.122 -3.890 1.00 21.02 H new ATOM 0 HD11 ILE A 14 -8.760 -4.239 -0.360 1.00 0.11 H new ATOM 0 HD12 ILE A 14 -10.075 -4.979 -1.304 1.00 0.11 H new ATOM 0 HD13 ILE A 14 -8.688 -4.238 -2.138 1.00 0.11 H new ATOM 161 N THR A 15 -11.645 0.195 -4.424 1.00 42.40 N ATOM 162 CA THR A 15 -12.080 0.668 -5.713 1.00 74.32 C ATOM 163 C THR A 15 -11.130 0.129 -6.795 1.00 30.34 C ATOM 164 O THR A 15 -9.924 0.353 -6.721 1.00 3.40 O ATOM 165 CB THR A 15 -12.075 2.213 -5.725 1.00 0.44 C ATOM 166 OG1 THR A 15 -12.900 2.690 -4.643 1.00 74.52 O ATOM 167 CG2 THR A 15 -12.593 2.762 -7.050 1.00 55.53 C ATOM 0 H THR A 15 -10.893 0.747 -4.011 1.00 42.40 H new ATOM 0 HA THR A 15 -13.092 0.316 -5.914 1.00 74.32 H new ATOM 0 HB THR A 15 -11.049 2.560 -5.601 1.00 0.44 H new ATOM 0 HG1 THR A 15 -12.370 2.727 -3.819 1.00 74.52 H new ATOM 0 HG21 THR A 15 -12.576 3.852 -7.024 1.00 55.53 H new ATOM 0 HG22 THR A 15 -11.959 2.408 -7.863 1.00 55.53 H new ATOM 0 HG23 THR A 15 -13.615 2.419 -7.211 1.00 55.53 H new ATOM 173 N TYR A 16 -11.665 -0.590 -7.765 1.00 43.25 N ATOM 174 CA TYR A 16 -10.842 -1.166 -8.828 1.00 3.23 C ATOM 175 C TYR A 16 -10.759 -0.242 -10.019 1.00 41.54 C ATOM 176 O TYR A 16 -11.768 0.025 -10.679 1.00 14.30 O ATOM 177 CB TYR A 16 -11.395 -2.521 -9.293 1.00 73.20 C ATOM 178 CG TYR A 16 -11.371 -3.602 -8.247 1.00 55.24 C ATOM 179 CD1 TYR A 16 -10.201 -4.284 -7.971 1.00 70.11 C ATOM 180 CD2 TYR A 16 -12.514 -3.947 -7.545 1.00 71.21 C ATOM 181 CE1 TYR A 16 -10.157 -5.278 -7.030 1.00 43.11 C ATOM 182 CE2 TYR A 16 -12.482 -4.944 -6.595 1.00 24.12 C ATOM 183 CZ TYR A 16 -11.301 -5.609 -6.342 1.00 55.11 C ATOM 184 OH TYR A 16 -11.265 -6.605 -5.401 1.00 14.20 O ATOM 0 H TYR A 16 -12.662 -0.792 -7.844 1.00 43.25 H new ATOM 0 HA TYR A 16 -9.846 -1.308 -8.409 1.00 3.23 H new ATOM 0 HB2 TYR A 16 -12.422 -2.383 -9.629 1.00 73.20 H new ATOM 0 HB3 TYR A 16 -10.819 -2.856 -10.156 1.00 73.20 H new ATOM 0 HD1 TYR A 16 -9.301 -4.027 -8.510 1.00 70.11 H new ATOM 0 HD2 TYR A 16 -13.440 -3.429 -7.745 1.00 71.21 H new ATOM 0 HE1 TYR A 16 -9.232 -5.798 -6.830 1.00 43.11 H new ATOM 0 HE2 TYR A 16 -13.378 -5.204 -6.051 1.00 24.12 H new ATOM 0 HH TYR A 16 -12.155 -6.714 -5.006 1.00 14.20 H new ATOM 194 N VAL A 17 -9.582 0.259 -10.289 1.00 43.43 N ATOM 195 CA VAL A 17 -9.374 1.093 -11.442 1.00 53.15 C ATOM 196 C VAL A 17 -8.152 0.620 -12.212 1.00 64.42 C ATOM 197 O VAL A 17 -7.159 0.191 -11.622 1.00 13.31 O ATOM 198 CB VAL A 17 -9.239 2.597 -11.072 1.00 33.41 C ATOM 199 CG1 VAL A 17 -8.019 2.867 -10.225 1.00 12.21 C ATOM 200 CG2 VAL A 17 -9.268 3.489 -12.308 1.00 0.14 C ATOM 0 H VAL A 17 -8.749 0.102 -9.722 1.00 43.43 H new ATOM 0 HA VAL A 17 -10.258 1.003 -12.073 1.00 53.15 H new ATOM 0 HB VAL A 17 -10.110 2.849 -10.467 1.00 33.41 H new ATOM 0 HG11 VAL A 17 -7.966 3.930 -9.991 1.00 12.21 H new ATOM 0 HG12 VAL A 17 -8.085 2.295 -9.300 1.00 12.21 H new ATOM 0 HG13 VAL A 17 -7.124 2.571 -10.772 1.00 12.21 H new ATOM 0 HG21 VAL A 17 -9.171 4.532 -12.006 1.00 0.14 H new ATOM 0 HG22 VAL A 17 -8.442 3.224 -12.968 1.00 0.14 H new ATOM 0 HG23 VAL A 17 -10.212 3.350 -12.835 1.00 0.14 H new ATOM 206 N LYS A 18 -8.236 0.666 -13.497 1.00 12.12 N ATOM 207 CA LYS A 18 -7.127 0.320 -14.326 1.00 2.22 C ATOM 208 C LYS A 18 -6.378 1.587 -14.684 1.00 30.42 C ATOM 209 O LYS A 18 -6.953 2.530 -15.251 1.00 42.43 O ATOM 210 CB LYS A 18 -7.590 -0.450 -15.567 1.00 32.54 C ATOM 211 CG LYS A 18 -6.467 -0.862 -16.518 1.00 0.11 C ATOM 212 CD LYS A 18 -6.966 -1.825 -17.591 1.00 33.04 C ATOM 213 CE LYS A 18 -8.084 -1.231 -18.432 1.00 21.14 C ATOM 214 NZ LYS A 18 -8.634 -2.219 -19.377 1.00 43.51 N ATOM 0 H LYS A 18 -9.075 0.944 -14.006 1.00 12.12 H new ATOM 0 HA LYS A 18 -6.452 -0.346 -13.788 1.00 2.22 H new ATOM 0 HB2 LYS A 18 -8.122 -1.345 -15.245 1.00 32.54 H new ATOM 0 HB3 LYS A 18 -8.304 0.165 -16.114 1.00 32.54 H new ATOM 0 HG2 LYS A 18 -6.046 0.025 -16.991 1.00 0.11 H new ATOM 0 HG3 LYS A 18 -5.663 -1.332 -15.951 1.00 0.11 H new ATOM 0 HD2 LYS A 18 -6.136 -2.102 -18.240 1.00 33.04 H new ATOM 0 HD3 LYS A 18 -7.320 -2.741 -17.117 1.00 33.04 H new ATOM 0 HE2 LYS A 18 -8.878 -0.869 -17.779 1.00 21.14 H new ATOM 0 HE3 LYS A 18 -7.707 -0.369 -18.983 1.00 21.14 H new ATOM 0 HZ1 LYS A 18 -9.394 -1.780 -19.935 1.00 43.51 H new ATOM 0 HZ2 LYS A 18 -7.881 -2.545 -20.015 1.00 43.51 H new ATOM 0 HZ3 LYS A 18 -9.016 -3.030 -18.849 1.00 43.51 H new ATOM 228 N GLY A 19 -5.136 1.622 -14.326 1.00 11.14 N ATOM 229 CA GLY A 19 -4.322 2.783 -14.534 1.00 32.34 C ATOM 230 C GLY A 19 -3.060 2.668 -13.743 1.00 64.22 C ATOM 231 O GLY A 19 -2.939 1.764 -12.917 1.00 4.43 O ATOM 0 H GLY A 19 -4.652 0.844 -13.878 1.00 11.14 H new ATOM 0 HA2 GLY A 19 -4.089 2.889 -15.593 1.00 32.34 H new ATOM 0 HA3 GLY A 19 -4.868 3.678 -14.236 1.00 32.34 H new ATOM 235 N ASP A 20 -2.128 3.559 -13.972 1.00 33.41 N ATOM 236 CA ASP A 20 -0.838 3.494 -13.305 1.00 33.21 C ATOM 237 C ASP A 20 -0.957 4.015 -11.874 1.00 3.25 C ATOM 238 O ASP A 20 -1.530 5.087 -11.638 1.00 65.12 O ATOM 239 CB ASP A 20 0.187 4.329 -14.060 1.00 53.30 C ATOM 240 CG ASP A 20 1.584 4.150 -13.529 1.00 43.13 C ATOM 241 OD1 ASP A 20 2.287 3.250 -14.005 1.00 55.21 O ATOM 242 OD2 ASP A 20 2.006 4.914 -12.652 1.00 64.33 O ATOM 0 H ASP A 20 -2.233 4.343 -14.616 1.00 33.41 H new ATOM 0 HA ASP A 20 -0.513 2.454 -13.285 1.00 33.21 H new ATOM 0 HB2 ASP A 20 0.166 4.057 -15.115 1.00 53.30 H new ATOM 0 HB3 ASP A 20 -0.090 5.381 -13.997 1.00 53.30 H new ATOM 247 N LEU A 21 -0.411 3.275 -10.940 1.00 44.22 N ATOM 248 CA LEU A 21 -0.480 3.604 -9.521 1.00 74.30 C ATOM 249 C LEU A 21 0.331 4.857 -9.176 1.00 52.04 C ATOM 250 O LEU A 21 0.005 5.582 -8.249 1.00 33.44 O ATOM 251 CB LEU A 21 0.002 2.422 -8.679 1.00 20.03 C ATOM 252 CG LEU A 21 -0.062 2.603 -7.167 1.00 24.21 C ATOM 253 CD1 LEU A 21 -1.492 2.771 -6.696 1.00 21.14 C ATOM 254 CD2 LEU A 21 0.595 1.450 -6.468 1.00 11.44 C ATOM 0 H LEU A 21 0.102 2.416 -11.137 1.00 44.22 H new ATOM 0 HA LEU A 21 -1.524 3.815 -9.290 1.00 74.30 H new ATOM 0 HB2 LEU A 21 -0.592 1.547 -8.945 1.00 20.03 H new ATOM 0 HB3 LEU A 21 1.034 2.203 -8.955 1.00 20.03 H new ATOM 0 HG LEU A 21 0.482 3.513 -6.915 1.00 24.21 H new ATOM 0 HD11 LEU A 21 -1.506 2.898 -5.614 1.00 21.14 H new ATOM 0 HD12 LEU A 21 -1.930 3.649 -7.170 1.00 21.14 H new ATOM 0 HD13 LEU A 21 -2.070 1.887 -6.965 1.00 21.14 H new ATOM 0 HD21 LEU A 21 0.539 1.598 -5.390 1.00 11.44 H new ATOM 0 HD22 LEU A 21 0.084 0.524 -6.734 1.00 11.44 H new ATOM 0 HD23 LEU A 21 1.640 1.388 -6.772 1.00 11.44 H new ATOM 262 N PHE A 22 1.375 5.111 -9.916 1.00 24.02 N ATOM 263 CA PHE A 22 2.246 6.243 -9.637 1.00 54.22 C ATOM 264 C PHE A 22 1.663 7.564 -10.109 1.00 64.40 C ATOM 265 O PHE A 22 2.256 8.623 -9.920 1.00 34.23 O ATOM 266 CB PHE A 22 3.657 5.997 -10.161 1.00 1.23 C ATOM 267 CG PHE A 22 4.331 4.875 -9.434 1.00 11.01 C ATOM 268 CD1 PHE A 22 4.164 3.559 -9.833 1.00 44.14 C ATOM 269 CD2 PHE A 22 5.110 5.135 -8.328 1.00 0.21 C ATOM 270 CE1 PHE A 22 4.757 2.537 -9.140 1.00 43.20 C ATOM 271 CE2 PHE A 22 5.712 4.117 -7.637 1.00 21.52 C ATOM 272 CZ PHE A 22 5.533 2.815 -8.043 1.00 60.34 C ATOM 0 H PHE A 22 1.653 4.552 -10.723 1.00 24.02 H new ATOM 0 HA PHE A 22 2.319 6.332 -8.553 1.00 54.22 H new ATOM 0 HB2 PHE A 22 3.615 5.767 -11.226 1.00 1.23 H new ATOM 0 HB3 PHE A 22 4.248 6.907 -10.055 1.00 1.23 H new ATOM 0 HD1 PHE A 22 3.560 3.336 -10.700 1.00 44.14 H new ATOM 0 HD2 PHE A 22 5.248 6.155 -8.001 1.00 0.21 H new ATOM 0 HE1 PHE A 22 4.614 1.514 -9.456 1.00 43.20 H new ATOM 0 HE2 PHE A 22 6.326 4.336 -6.776 1.00 21.52 H new ATOM 0 HZ PHE A 22 6.004 2.010 -7.498 1.00 60.34 H new ATOM 282 N ALA A 23 0.492 7.500 -10.698 1.00 43.20 N ATOM 283 CA ALA A 23 -0.201 8.682 -11.162 1.00 61.44 C ATOM 284 C ALA A 23 -1.120 9.246 -10.055 1.00 52.42 C ATOM 285 O ALA A 23 -1.892 10.175 -10.289 1.00 74.31 O ATOM 286 CB ALA A 23 -1.008 8.349 -12.415 1.00 53.24 C ATOM 0 H ALA A 23 -0.008 6.628 -10.870 1.00 43.20 H new ATOM 0 HA ALA A 23 0.535 9.447 -11.409 1.00 61.44 H new ATOM 0 HB1 ALA A 23 -1.528 9.242 -12.761 1.00 53.24 H new ATOM 0 HB2 ALA A 23 -0.336 7.995 -13.197 1.00 53.24 H new ATOM 0 HB3 ALA A 23 -1.736 7.572 -12.183 1.00 53.24 H new ATOM 292 N CYS A 24 -1.015 8.682 -8.861 1.00 72.05 N ATOM 293 CA CYS A 24 -1.845 9.080 -7.725 1.00 21.11 C ATOM 294 C CYS A 24 -1.445 10.446 -7.111 1.00 31.32 C ATOM 295 O CYS A 24 -0.271 10.857 -7.182 1.00 62.24 O ATOM 296 CB CYS A 24 -1.849 7.985 -6.665 1.00 64.31 C ATOM 297 SG CYS A 24 -2.541 6.439 -7.262 1.00 43.43 S ATOM 0 H CYS A 24 -0.353 7.935 -8.648 1.00 72.05 H new ATOM 0 HA CYS A 24 -2.855 9.214 -8.111 1.00 21.11 H new ATOM 0 HB2 CYS A 24 -0.828 7.813 -6.324 1.00 64.31 H new ATOM 0 HB3 CYS A 24 -2.421 8.324 -5.801 1.00 64.31 H new ATOM 0 HG CYS A 24 -1.587 5.686 -7.722 1.00 43.43 H new ATOM 303 N PRO A 25 -2.439 11.163 -6.516 1.00 21.14 N ATOM 304 CA PRO A 25 -2.245 12.488 -5.885 1.00 24.44 C ATOM 305 C PRO A 25 -1.333 12.457 -4.645 1.00 62.41 C ATOM 306 O PRO A 25 -1.073 11.411 -4.081 1.00 12.25 O ATOM 307 CB PRO A 25 -3.663 12.885 -5.455 1.00 14.04 C ATOM 308 CG PRO A 25 -4.571 12.014 -6.234 1.00 50.44 C ATOM 309 CD PRO A 25 -3.847 10.735 -6.424 1.00 30.42 C ATOM 0 HA PRO A 25 -1.759 13.176 -6.577 1.00 24.44 H new ATOM 0 HB2 PRO A 25 -3.803 12.740 -4.384 1.00 14.04 H new ATOM 0 HB3 PRO A 25 -3.856 13.938 -5.662 1.00 14.04 H new ATOM 0 HG2 PRO A 25 -5.510 11.856 -5.704 1.00 50.44 H new ATOM 0 HG3 PRO A 25 -4.819 12.468 -7.193 1.00 50.44 H new ATOM 0 HD2 PRO A 25 -4.008 10.052 -5.590 1.00 30.42 H new ATOM 0 HD3 PRO A 25 -4.172 10.217 -7.327 1.00 30.42 H new ATOM 317 N LYS A 26 -0.906 13.636 -4.203 1.00 63.52 N ATOM 318 CA LYS A 26 0.031 13.777 -3.078 1.00 1.34 C ATOM 319 C LYS A 26 -0.658 13.539 -1.740 1.00 32.05 C ATOM 320 O LYS A 26 -0.014 13.283 -0.738 1.00 71.20 O ATOM 321 CB LYS A 26 0.659 15.169 -3.084 1.00 4.44 C ATOM 322 CG LYS A 26 -0.332 16.308 -2.829 1.00 75.50 C ATOM 323 CD LYS A 26 0.333 17.676 -2.848 1.00 33.00 C ATOM 324 CE LYS A 26 0.927 18.000 -4.212 1.00 1.13 C ATOM 325 NZ LYS A 26 -0.093 17.984 -5.284 1.00 54.21 N ATOM 0 H LYS A 26 -1.196 14.525 -4.611 1.00 63.52 H new ATOM 0 HA LYS A 26 0.807 13.022 -3.203 1.00 1.34 H new ATOM 0 HB2 LYS A 26 1.440 15.206 -2.325 1.00 4.44 H new ATOM 0 HB3 LYS A 26 1.143 15.333 -4.047 1.00 4.44 H new ATOM 0 HG2 LYS A 26 -1.116 16.279 -3.585 1.00 75.50 H new ATOM 0 HG3 LYS A 26 -0.814 16.156 -1.864 1.00 75.50 H new ATOM 0 HD2 LYS A 26 -0.398 18.439 -2.580 1.00 33.00 H new ATOM 0 HD3 LYS A 26 1.119 17.708 -2.093 1.00 33.00 H new ATOM 0 HE2 LYS A 26 1.399 18.982 -4.177 1.00 1.13 H new ATOM 0 HE3 LYS A 26 1.709 17.278 -4.446 1.00 1.13 H new ATOM 0 HZ1 LYS A 26 0.300 18.418 -6.143 1.00 54.21 H new ATOM 0 HZ2 LYS A 26 -0.368 17.002 -5.487 1.00 54.21 H new ATOM 0 HZ3 LYS A 26 -0.929 18.521 -4.976 1.00 54.21 H new ATOM 339 N THR A 27 -1.954 13.664 -1.729 1.00 40.32 N ATOM 340 CA THR A 27 -2.722 13.438 -0.524 1.00 71.43 C ATOM 341 C THR A 27 -3.080 11.937 -0.408 1.00 3.43 C ATOM 342 O THR A 27 -3.514 11.451 0.644 1.00 20.44 O ATOM 343 CB THR A 27 -4.008 14.306 -0.560 1.00 11.20 C ATOM 344 OG1 THR A 27 -3.645 15.679 -0.853 1.00 24.24 O ATOM 345 CG2 THR A 27 -4.724 14.281 0.777 1.00 40.44 C ATOM 0 H THR A 27 -2.510 13.923 -2.544 1.00 40.32 H new ATOM 0 HA THR A 27 -2.132 13.722 0.347 1.00 71.43 H new ATOM 0 HB THR A 27 -4.670 13.901 -1.326 1.00 11.20 H new ATOM 0 HG1 THR A 27 -4.453 16.233 -0.879 1.00 24.24 H new ATOM 0 HG21 THR A 27 -5.621 14.898 0.721 1.00 40.44 H new ATOM 0 HG22 THR A 27 -5.003 13.256 1.021 1.00 40.44 H new ATOM 0 HG23 THR A 27 -4.063 14.671 1.551 1.00 40.44 H new ATOM 351 N ASP A 28 -2.843 11.216 -1.484 1.00 3.12 N ATOM 352 CA ASP A 28 -3.183 9.810 -1.565 1.00 24.44 C ATOM 353 C ASP A 28 -1.887 8.983 -1.457 1.00 73.02 C ATOM 354 O ASP A 28 -0.980 9.105 -2.282 1.00 11.33 O ATOM 355 CB ASP A 28 -3.926 9.574 -2.884 1.00 20.33 C ATOM 356 CG ASP A 28 -4.499 8.190 -3.048 1.00 53.30 C ATOM 357 OD1 ASP A 28 -5.630 7.928 -2.548 1.00 34.14 O ATOM 358 OD2 ASP A 28 -3.884 7.387 -3.723 1.00 33.22 O ATOM 0 H ASP A 28 -2.409 11.588 -2.328 1.00 3.12 H new ATOM 0 HA ASP A 28 -3.838 9.500 -0.751 1.00 24.44 H new ATOM 0 HB2 ASP A 28 -4.736 10.299 -2.963 1.00 20.33 H new ATOM 0 HB3 ASP A 28 -3.242 9.769 -3.710 1.00 20.33 H new ATOM 363 N SER A 29 -1.797 8.185 -0.414 1.00 60.24 N ATOM 364 CA SER A 29 -0.574 7.454 -0.090 1.00 13.42 C ATOM 365 C SER A 29 -0.518 6.070 -0.747 1.00 22.11 C ATOM 366 O SER A 29 -1.538 5.476 -1.009 1.00 70.41 O ATOM 367 CB SER A 29 -0.463 7.343 1.421 1.00 21.32 C ATOM 368 OG SER A 29 -0.426 8.644 2.004 1.00 72.04 O ATOM 0 H SER A 29 -2.565 8.020 0.237 1.00 60.24 H new ATOM 0 HA SER A 29 0.274 8.009 -0.492 1.00 13.42 H new ATOM 0 HB2 SER A 29 -1.310 6.782 1.816 1.00 21.32 H new ATOM 0 HB3 SER A 29 0.437 6.790 1.688 1.00 21.32 H new ATOM 0 HG SER A 29 -1.339 8.939 2.204 1.00 72.04 H new ATOM 374 N LEU A 30 0.700 5.565 -0.979 1.00 55.11 N ATOM 375 CA LEU A 30 0.896 4.270 -1.651 1.00 21.44 C ATOM 376 C LEU A 30 1.199 3.189 -0.631 1.00 40.33 C ATOM 377 O LEU A 30 1.905 3.437 0.344 1.00 44.43 O ATOM 378 CB LEU A 30 2.097 4.288 -2.648 1.00 11.52 C ATOM 379 CG LEU A 30 2.098 5.264 -3.846 1.00 50.33 C ATOM 380 CD1 LEU A 30 0.939 5.026 -4.744 1.00 74.33 C ATOM 381 CD2 LEU A 30 2.202 6.709 -3.427 1.00 61.10 C ATOM 0 H LEU A 30 1.566 6.032 -0.712 1.00 55.11 H new ATOM 0 HA LEU A 30 -0.029 4.072 -2.193 1.00 21.44 H new ATOM 0 HB2 LEU A 30 2.997 4.489 -2.067 1.00 11.52 H new ATOM 0 HB3 LEU A 30 2.197 3.281 -3.052 1.00 11.52 H new ATOM 0 HG LEU A 30 3.003 5.053 -4.416 1.00 50.33 H new ATOM 0 HD11 LEU A 30 0.972 5.730 -5.575 1.00 74.33 H new ATOM 0 HD12 LEU A 30 0.981 4.007 -5.130 1.00 74.33 H new ATOM 0 HD13 LEU A 30 0.012 5.165 -4.187 1.00 74.33 H new ATOM 0 HD21 LEU A 30 2.198 7.346 -4.312 1.00 61.10 H new ATOM 0 HD22 LEU A 30 1.354 6.965 -2.791 1.00 61.10 H new ATOM 0 HD23 LEU A 30 3.129 6.862 -2.874 1.00 61.10 H new ATOM 389 N ALA A 31 0.694 2.005 -0.857 1.00 1.41 N ATOM 390 CA ALA A 31 1.010 0.867 -0.015 1.00 4.31 C ATOM 391 C ALA A 31 1.317 -0.338 -0.867 1.00 60.34 C ATOM 392 O ALA A 31 0.830 -0.447 -1.989 1.00 70.42 O ATOM 393 CB ALA A 31 -0.119 0.550 0.932 1.00 41.51 C ATOM 0 H ALA A 31 0.055 1.796 -1.624 1.00 1.41 H new ATOM 0 HA ALA A 31 1.886 1.126 0.579 1.00 4.31 H new ATOM 0 HB1 ALA A 31 0.152 -0.308 1.547 1.00 41.51 H new ATOM 0 HB2 ALA A 31 -0.309 1.411 1.573 1.00 41.51 H new ATOM 0 HB3 ALA A 31 -1.018 0.317 0.361 1.00 41.51 H new ATOM 399 N HIS A 32 2.157 -1.215 -0.354 1.00 64.12 N ATOM 400 CA HIS A 32 2.517 -2.457 -1.026 1.00 25.44 C ATOM 401 C HIS A 32 3.294 -3.347 -0.092 1.00 14.50 C ATOM 402 O HIS A 32 3.850 -2.876 0.901 1.00 51.51 O ATOM 403 CB HIS A 32 3.307 -2.221 -2.337 1.00 34.30 C ATOM 404 CG HIS A 32 4.596 -1.471 -2.179 1.00 14.44 C ATOM 405 ND1 HIS A 32 5.839 -2.044 -2.381 1.00 23.12 N ATOM 406 CD2 HIS A 32 4.829 -0.168 -1.897 1.00 55.15 C ATOM 407 CE1 HIS A 32 6.761 -1.137 -2.240 1.00 53.34 C ATOM 408 NE2 HIS A 32 6.181 0.013 -1.945 1.00 31.02 N ATOM 0 H HIS A 32 2.615 -1.089 0.549 1.00 64.12 H new ATOM 0 HA HIS A 32 1.587 -2.951 -1.306 1.00 25.44 H new ATOM 0 HB2 HIS A 32 3.521 -3.188 -2.792 1.00 34.30 H new ATOM 0 HB3 HIS A 32 2.670 -1.675 -3.033 1.00 34.30 H new ATOM 0 HD2 HIS A 32 4.087 0.585 -1.676 1.00 55.15 H new ATOM 0 HE1 HIS A 32 7.824 -1.297 -2.346 1.00 53.34 H new ATOM 0 HE2 HIS A 32 6.666 0.895 -1.780 1.00 31.02 H new ATOM 417 N CYS A 33 3.353 -4.601 -0.414 1.00 53.33 N ATOM 418 CA CYS A 33 4.020 -5.567 0.415 1.00 42.11 C ATOM 419 C CYS A 33 5.410 -5.870 -0.116 1.00 54.34 C ATOM 420 O CYS A 33 5.634 -5.837 -1.328 1.00 15.43 O ATOM 421 CB CYS A 33 3.201 -6.849 0.430 1.00 44.41 C ATOM 422 SG CYS A 33 1.480 -6.607 0.899 1.00 62.32 S ATOM 0 H CYS A 33 2.940 -4.990 -1.262 1.00 53.33 H new ATOM 0 HA CYS A 33 4.116 -5.161 1.422 1.00 42.11 H new ATOM 0 HB2 CYS A 33 3.237 -7.304 -0.560 1.00 44.41 H new ATOM 0 HB3 CYS A 33 3.661 -7.555 1.122 1.00 44.41 H new ATOM 0 HG CYS A 33 0.861 -7.750 0.882 1.00 62.32 H new ATOM 428 N ILE A 34 6.334 -6.115 0.795 1.00 61.32 N ATOM 429 CA ILE A 34 7.687 -6.563 0.489 1.00 41.13 C ATOM 430 C ILE A 34 8.157 -7.457 1.618 1.00 53.02 C ATOM 431 O ILE A 34 7.469 -7.596 2.625 1.00 32.41 O ATOM 432 CB ILE A 34 8.733 -5.424 0.282 1.00 71.21 C ATOM 433 CG1 ILE A 34 8.814 -4.509 1.499 1.00 72.10 C ATOM 434 CG2 ILE A 34 8.483 -4.632 -1.003 1.00 45.54 C ATOM 435 CD1 ILE A 34 9.898 -3.475 1.380 1.00 43.14 C ATOM 0 H ILE A 34 6.163 -6.006 1.795 1.00 61.32 H new ATOM 0 HA ILE A 34 7.626 -7.083 -0.467 1.00 41.13 H new ATOM 0 HB ILE A 34 9.704 -5.906 0.169 1.00 71.21 H new ATOM 0 HG12 ILE A 34 7.855 -4.009 1.636 1.00 72.10 H new ATOM 0 HG13 ILE A 34 8.990 -5.112 2.390 1.00 72.10 H new ATOM 0 HG21 ILE A 34 9.237 -3.851 -1.102 1.00 45.54 H new ATOM 0 HG22 ILE A 34 8.540 -5.302 -1.861 1.00 45.54 H new ATOM 0 HG23 ILE A 34 7.493 -4.177 -0.963 1.00 45.54 H new ATOM 0 HD11 ILE A 34 9.908 -2.853 2.275 1.00 43.14 H new ATOM 0 HD12 ILE A 34 10.863 -3.970 1.272 1.00 43.14 H new ATOM 0 HD13 ILE A 34 9.711 -2.850 0.507 1.00 43.14 H new ATOM 442 N SER A 35 9.288 -8.057 1.462 1.00 30.43 N ATOM 443 CA SER A 35 9.816 -8.955 2.452 1.00 25.43 C ATOM 444 C SER A 35 10.775 -8.215 3.446 1.00 14.33 C ATOM 445 O SER A 35 11.102 -7.039 3.233 1.00 5.15 O ATOM 446 CB SER A 35 10.527 -10.086 1.714 1.00 22.30 C ATOM 447 OG SER A 35 11.414 -9.566 0.724 1.00 74.40 O ATOM 0 H SER A 35 9.882 -7.942 0.641 1.00 30.43 H new ATOM 0 HA SER A 35 9.009 -9.359 3.063 1.00 25.43 H new ATOM 0 HB2 SER A 35 11.085 -10.696 2.425 1.00 22.30 H new ATOM 0 HB3 SER A 35 9.791 -10.738 1.243 1.00 22.30 H new ATOM 0 HG SER A 35 11.861 -10.307 0.264 1.00 74.40 H new ATOM 453 N GLU A 36 11.211 -8.912 4.518 1.00 34.22 N ATOM 454 CA GLU A 36 12.127 -8.348 5.546 1.00 73.33 C ATOM 455 C GLU A 36 13.474 -8.002 4.919 1.00 52.12 C ATOM 456 O GLU A 36 14.141 -7.042 5.318 1.00 2.23 O ATOM 457 CB GLU A 36 12.352 -9.349 6.710 1.00 12.51 C ATOM 458 CG GLU A 36 11.068 -9.854 7.368 1.00 40.24 C ATOM 459 CD GLU A 36 11.301 -10.800 8.543 1.00 53.23 C ATOM 460 OE1 GLU A 36 11.530 -12.002 8.327 1.00 74.11 O ATOM 461 OE2 GLU A 36 11.213 -10.350 9.698 1.00 3.43 O ATOM 0 H GLU A 36 10.942 -9.879 4.699 1.00 34.22 H new ATOM 0 HA GLU A 36 11.661 -7.447 5.944 1.00 73.33 H new ATOM 0 HB2 GLU A 36 12.913 -10.204 6.334 1.00 12.51 H new ATOM 0 HB3 GLU A 36 12.971 -8.871 7.469 1.00 12.51 H new ATOM 0 HG2 GLU A 36 10.489 -8.998 7.714 1.00 40.24 H new ATOM 0 HG3 GLU A 36 10.465 -10.365 6.618 1.00 40.24 H new ATOM 468 N ASP A 37 13.866 -8.801 3.931 1.00 41.03 N ATOM 469 CA ASP A 37 15.110 -8.590 3.181 1.00 53.21 C ATOM 470 C ASP A 37 14.974 -7.377 2.260 1.00 32.23 C ATOM 471 O ASP A 37 15.963 -6.791 1.837 1.00 30.31 O ATOM 472 CB ASP A 37 15.463 -9.871 2.392 1.00 4.34 C ATOM 473 CG ASP A 37 16.739 -9.780 1.576 1.00 63.34 C ATOM 474 OD1 ASP A 37 17.823 -9.511 2.158 1.00 73.03 O ATOM 475 OD2 ASP A 37 16.685 -9.990 0.350 1.00 70.10 O ATOM 0 H ASP A 37 13.333 -9.615 3.624 1.00 41.03 H new ATOM 0 HA ASP A 37 15.925 -8.383 3.874 1.00 53.21 H new ATOM 0 HB2 ASP A 37 15.555 -10.700 3.094 1.00 4.34 H new ATOM 0 HB3 ASP A 37 14.636 -10.109 1.723 1.00 4.34 H new ATOM 480 N CYS A 38 13.730 -7.003 2.000 1.00 44.30 N ATOM 481 CA CYS A 38 13.374 -5.851 1.189 1.00 24.13 C ATOM 482 C CYS A 38 13.967 -5.898 -0.215 1.00 22.34 C ATOM 483 O CYS A 38 15.037 -5.348 -0.486 1.00 43.34 O ATOM 484 CB CYS A 38 13.694 -4.533 1.910 1.00 50.33 C ATOM 485 SG CYS A 38 12.839 -4.357 3.496 1.00 63.11 S ATOM 0 H CYS A 38 12.919 -7.507 2.358 1.00 44.30 H new ATOM 0 HA CYS A 38 12.294 -5.895 1.052 1.00 24.13 H new ATOM 0 HB2 CYS A 38 14.769 -4.470 2.076 1.00 50.33 H new ATOM 0 HB3 CYS A 38 13.422 -3.698 1.264 1.00 50.33 H new ATOM 0 HG CYS A 38 12.025 -5.357 3.663 1.00 63.11 H new ATOM 491 N ARG A 39 13.295 -6.611 -1.081 1.00 11.45 N ATOM 492 CA ARG A 39 13.693 -6.703 -2.454 1.00 75.02 C ATOM 493 C ARG A 39 12.671 -6.015 -3.313 1.00 12.25 C ATOM 494 O ARG A 39 11.535 -6.474 -3.417 1.00 51.03 O ATOM 495 CB ARG A 39 13.827 -8.157 -2.902 1.00 60.20 C ATOM 496 CG ARG A 39 14.912 -8.950 -2.202 1.00 53.01 C ATOM 497 CD ARG A 39 15.003 -10.355 -2.782 1.00 13.24 C ATOM 498 NE ARG A 39 15.281 -10.318 -4.226 1.00 43.22 N ATOM 499 CZ ARG A 39 15.189 -11.363 -5.068 1.00 72.41 C ATOM 500 NH1 ARG A 39 14.898 -12.576 -4.613 1.00 32.15 N ATOM 501 NH2 ARG A 39 15.400 -11.188 -6.361 1.00 43.42 N ATOM 0 H ARG A 39 12.456 -7.143 -0.850 1.00 11.45 H new ATOM 0 HA ARG A 39 14.666 -6.223 -2.558 1.00 75.02 H new ATOM 0 HB2 ARG A 39 12.873 -8.659 -2.743 1.00 60.20 H new ATOM 0 HB3 ARG A 39 14.021 -8.174 -3.974 1.00 60.20 H new ATOM 0 HG2 ARG A 39 15.870 -8.442 -2.312 1.00 53.01 H new ATOM 0 HG3 ARG A 39 14.700 -9.004 -1.134 1.00 53.01 H new ATOM 0 HD2 ARG A 39 15.789 -10.912 -2.272 1.00 13.24 H new ATOM 0 HD3 ARG A 39 14.068 -10.886 -2.603 1.00 13.24 H new ATOM 0 HE ARG A 39 15.568 -9.423 -4.623 1.00 43.22 H new ATOM 0 HH11 ARG A 39 14.742 -12.723 -3.616 1.00 32.15 H new ATOM 0 HH12 ARG A 39 14.831 -13.361 -5.261 1.00 32.15 H new ATOM 0 HH21 ARG A 39 15.632 -10.262 -6.719 1.00 43.42 H new ATOM 0 HH22 ARG A 39 15.331 -11.979 -7.001 1.00 43.42 H new ATOM 513 N MET A 40 13.049 -4.906 -3.891 1.00 65.52 N ATOM 514 CA MET A 40 12.156 -4.194 -4.770 1.00 42.33 C ATOM 515 C MET A 40 12.379 -4.575 -6.201 1.00 22.12 C ATOM 516 O MET A 40 11.575 -4.251 -7.047 1.00 54.42 O ATOM 517 CB MET A 40 12.258 -2.677 -4.647 1.00 51.10 C ATOM 518 CG MET A 40 11.868 -2.092 -3.311 1.00 12.32 C ATOM 519 SD MET A 40 13.062 -2.414 -2.016 1.00 13.14 S ATOM 520 CE MET A 40 12.322 -1.474 -0.711 1.00 44.41 C ATOM 0 H MET A 40 13.966 -4.476 -3.771 1.00 65.52 H new ATOM 0 HA MET A 40 11.156 -4.489 -4.453 1.00 42.33 H new ATOM 0 HB2 MET A 40 13.285 -2.383 -4.864 1.00 51.10 H new ATOM 0 HB3 MET A 40 11.629 -2.227 -5.415 1.00 51.10 H new ATOM 0 HG2 MET A 40 11.741 -1.015 -3.418 1.00 12.32 H new ATOM 0 HG3 MET A 40 10.902 -2.499 -3.013 1.00 12.32 H new ATOM 0 HE1 MET A 40 12.662 -1.857 0.251 1.00 44.41 H new ATOM 0 HE2 MET A 40 12.610 -0.427 -0.808 1.00 44.41 H new ATOM 0 HE3 MET A 40 11.237 -1.558 -0.772 1.00 44.41 H new ATOM 530 N GLY A 41 13.464 -5.278 -6.468 1.00 52.22 N ATOM 531 CA GLY A 41 13.810 -5.660 -7.830 1.00 14.13 C ATOM 532 C GLY A 41 12.968 -6.804 -8.359 1.00 12.04 C ATOM 533 O GLY A 41 13.501 -7.759 -8.940 1.00 50.21 O ATOM 0 H GLY A 41 14.124 -5.598 -5.760 1.00 52.22 H new ATOM 0 HA2 GLY A 41 13.691 -4.796 -8.484 1.00 14.13 H new ATOM 0 HA3 GLY A 41 14.862 -5.944 -7.865 1.00 14.13 H new ATOM 537 N ALA A 42 11.673 -6.701 -8.157 1.00 24.40 N ATOM 538 CA ALA A 42 10.712 -7.682 -8.569 1.00 21.12 C ATOM 539 C ALA A 42 9.315 -7.095 -8.437 1.00 50.31 C ATOM 540 O ALA A 42 8.930 -6.608 -7.364 1.00 44.11 O ATOM 541 CB ALA A 42 10.838 -8.933 -7.723 1.00 4.31 C ATOM 0 H ALA A 42 11.252 -5.901 -7.684 1.00 24.40 H new ATOM 0 HA ALA A 42 10.896 -7.955 -9.608 1.00 21.12 H new ATOM 0 HB1 ALA A 42 10.102 -9.668 -8.048 1.00 4.31 H new ATOM 0 HB2 ALA A 42 11.839 -9.349 -7.835 1.00 4.31 H new ATOM 0 HB3 ALA A 42 10.664 -8.684 -6.676 1.00 4.31 H new ATOM 547 N GLY A 43 8.577 -7.110 -9.515 1.00 34.33 N ATOM 548 CA GLY A 43 7.232 -6.606 -9.492 1.00 12.51 C ATOM 549 C GLY A 43 7.176 -5.083 -9.540 1.00 4.30 C ATOM 550 O GLY A 43 8.098 -4.433 -10.037 1.00 23.55 O ATOM 0 H GLY A 43 8.886 -7.466 -10.420 1.00 34.33 H new ATOM 0 HA2 GLY A 43 6.681 -7.013 -10.340 1.00 12.51 H new ATOM 0 HA3 GLY A 43 6.732 -6.956 -8.589 1.00 12.51 H new ATOM 554 N ILE A 44 6.096 -4.528 -9.013 1.00 60.13 N ATOM 555 CA ILE A 44 5.859 -3.075 -9.003 1.00 52.24 C ATOM 556 C ILE A 44 6.807 -2.338 -8.023 1.00 33.25 C ATOM 557 O ILE A 44 7.021 -1.121 -8.125 1.00 24.20 O ATOM 558 CB ILE A 44 4.362 -2.752 -8.672 1.00 24.33 C ATOM 559 CG1 ILE A 44 4.101 -1.232 -8.709 1.00 12.34 C ATOM 560 CG2 ILE A 44 3.944 -3.360 -7.331 1.00 4.44 C ATOM 561 CD1 ILE A 44 2.687 -0.829 -8.368 1.00 31.31 C ATOM 0 H ILE A 44 5.349 -5.067 -8.575 1.00 60.13 H new ATOM 0 HA ILE A 44 6.078 -2.709 -10.006 1.00 52.24 H new ATOM 0 HB ILE A 44 3.744 -3.212 -9.443 1.00 24.33 H new ATOM 0 HG12 ILE A 44 4.782 -0.743 -8.013 1.00 12.34 H new ATOM 0 HG13 ILE A 44 4.341 -0.860 -9.705 1.00 12.34 H new ATOM 0 HG21 ILE A 44 2.900 -3.118 -7.131 1.00 4.44 H new ATOM 0 HG22 ILE A 44 4.064 -4.443 -7.369 1.00 4.44 H new ATOM 0 HG23 ILE A 44 4.570 -2.953 -6.536 1.00 4.44 H new ATOM 0 HD11 ILE A 44 2.596 0.256 -8.419 1.00 31.31 H new ATOM 0 HD12 ILE A 44 1.997 -1.285 -9.078 1.00 31.31 H new ATOM 0 HD13 ILE A 44 2.446 -1.166 -7.360 1.00 31.31 H new ATOM 568 N ALA A 45 7.388 -3.094 -7.098 1.00 0.43 N ATOM 569 CA ALA A 45 8.260 -2.551 -6.057 1.00 72.13 C ATOM 570 C ALA A 45 9.443 -1.757 -6.635 1.00 42.13 C ATOM 571 O ALA A 45 9.941 -0.819 -5.990 1.00 73.42 O ATOM 572 CB ALA A 45 8.733 -3.668 -5.134 1.00 30.34 C ATOM 0 H ALA A 45 7.268 -4.106 -7.047 1.00 0.43 H new ATOM 0 HA ALA A 45 7.675 -1.840 -5.474 1.00 72.13 H new ATOM 0 HB1 ALA A 45 9.382 -3.253 -4.363 1.00 30.34 H new ATOM 0 HB2 ALA A 45 7.871 -4.143 -4.666 1.00 30.34 H new ATOM 0 HB3 ALA A 45 9.285 -4.409 -5.712 1.00 30.34 H new ATOM 578 N VAL A 46 9.852 -2.114 -7.860 1.00 24.13 N ATOM 579 CA VAL A 46 10.987 -1.483 -8.553 1.00 51.35 C ATOM 580 C VAL A 46 10.801 0.032 -8.655 1.00 63.33 C ATOM 581 O VAL A 46 11.718 0.812 -8.341 1.00 53.34 O ATOM 582 CB VAL A 46 11.157 -2.039 -10.010 1.00 11.24 C ATOM 583 CG1 VAL A 46 12.367 -1.424 -10.700 1.00 54.42 C ATOM 584 CG2 VAL A 46 11.246 -3.557 -10.031 1.00 25.31 C ATOM 0 H VAL A 46 9.403 -2.852 -8.402 1.00 24.13 H new ATOM 0 HA VAL A 46 11.872 -1.717 -7.961 1.00 51.35 H new ATOM 0 HB VAL A 46 10.263 -1.751 -10.564 1.00 11.24 H new ATOM 0 HG11 VAL A 46 12.457 -1.830 -11.708 1.00 54.42 H new ATOM 0 HG12 VAL A 46 12.244 -0.342 -10.754 1.00 54.42 H new ATOM 0 HG13 VAL A 46 13.268 -1.659 -10.133 1.00 54.42 H new ATOM 0 HG21 VAL A 46 11.363 -3.900 -11.059 1.00 25.31 H new ATOM 0 HG22 VAL A 46 12.104 -3.879 -9.441 1.00 25.31 H new ATOM 0 HG23 VAL A 46 10.335 -3.981 -9.608 1.00 25.31 H new ATOM 590 N LEU A 47 9.607 0.445 -9.053 1.00 10.30 N ATOM 591 CA LEU A 47 9.347 1.848 -9.298 1.00 33.14 C ATOM 592 C LEU A 47 9.352 2.645 -7.998 1.00 73.15 C ATOM 593 O LEU A 47 9.824 3.784 -7.967 1.00 3.24 O ATOM 594 CB LEU A 47 8.035 2.100 -10.080 1.00 25.32 C ATOM 595 CG LEU A 47 7.850 1.435 -11.465 1.00 44.21 C ATOM 596 CD1 LEU A 47 7.562 -0.061 -11.352 1.00 35.22 C ATOM 597 CD2 LEU A 47 6.753 2.129 -12.251 1.00 61.55 C ATOM 0 H LEU A 47 8.809 -0.171 -9.211 1.00 10.30 H new ATOM 0 HA LEU A 47 10.163 2.196 -9.932 1.00 33.14 H new ATOM 0 HB2 LEU A 47 7.208 1.779 -9.447 1.00 25.32 H new ATOM 0 HB3 LEU A 47 7.934 3.177 -10.215 1.00 25.32 H new ATOM 0 HG LEU A 47 8.792 1.545 -12.002 1.00 44.21 H new ATOM 0 HD11 LEU A 47 7.440 -0.484 -12.349 1.00 35.22 H new ATOM 0 HD12 LEU A 47 8.393 -0.554 -10.848 1.00 35.22 H new ATOM 0 HD13 LEU A 47 6.648 -0.213 -10.779 1.00 35.22 H new ATOM 0 HD21 LEU A 47 6.639 1.646 -13.221 1.00 61.55 H new ATOM 0 HD22 LEU A 47 5.814 2.064 -11.701 1.00 61.55 H new ATOM 0 HD23 LEU A 47 7.016 3.177 -12.396 1.00 61.55 H new ATOM 605 N PHE A 48 8.856 2.037 -6.916 1.00 63.53 N ATOM 606 CA PHE A 48 8.829 2.714 -5.618 1.00 31.22 C ATOM 607 C PHE A 48 10.243 2.957 -5.114 1.00 54.13 C ATOM 608 O PHE A 48 10.539 4.023 -4.585 1.00 4.42 O ATOM 609 CB PHE A 48 8.051 1.934 -4.550 1.00 34.13 C ATOM 610 CG PHE A 48 6.568 1.761 -4.777 1.00 53.13 C ATOM 611 CD1 PHE A 48 5.654 2.745 -4.388 1.00 3.04 C ATOM 612 CD2 PHE A 48 6.074 0.595 -5.326 1.00 5.42 C ATOM 613 CE1 PHE A 48 4.319 2.550 -4.546 1.00 64.44 C ATOM 614 CE2 PHE A 48 4.717 0.412 -5.489 1.00 71.12 C ATOM 615 CZ PHE A 48 3.845 1.401 -5.090 1.00 74.23 C ATOM 0 H PHE A 48 8.473 1.092 -6.912 1.00 63.53 H new ATOM 0 HA PHE A 48 8.314 3.660 -5.783 1.00 31.22 H new ATOM 0 HB2 PHE A 48 8.498 0.944 -4.459 1.00 34.13 H new ATOM 0 HB3 PHE A 48 8.192 2.436 -3.593 1.00 34.13 H new ATOM 0 HD1 PHE A 48 6.013 3.668 -3.958 1.00 3.04 H new ATOM 0 HD2 PHE A 48 6.758 -0.183 -5.631 1.00 5.42 H new ATOM 0 HE1 PHE A 48 3.627 3.319 -4.235 1.00 64.44 H new ATOM 0 HE2 PHE A 48 4.340 -0.501 -5.927 1.00 71.12 H new ATOM 0 HZ PHE A 48 2.781 1.261 -5.211 1.00 74.23 H new ATOM 625 N LYS A 49 11.115 1.957 -5.286 1.00 73.40 N ATOM 626 CA LYS A 49 12.491 2.056 -4.859 1.00 12.22 C ATOM 627 C LYS A 49 13.150 3.217 -5.590 1.00 71.05 C ATOM 628 O LYS A 49 13.795 4.062 -4.981 1.00 53.41 O ATOM 629 CB LYS A 49 13.229 0.722 -5.168 1.00 51.14 C ATOM 630 CG LYS A 49 14.592 0.533 -4.475 1.00 0.41 C ATOM 631 CD LYS A 49 15.684 1.473 -4.976 1.00 44.34 C ATOM 632 CE LYS A 49 16.189 1.102 -6.366 1.00 44.34 C ATOM 633 NZ LYS A 49 16.845 -0.228 -6.387 1.00 72.14 N ATOM 0 H LYS A 49 10.876 1.067 -5.724 1.00 73.40 H new ATOM 0 HA LYS A 49 12.541 2.236 -3.785 1.00 12.22 H new ATOM 0 HB2 LYS A 49 12.579 -0.105 -4.882 1.00 51.14 H new ATOM 0 HB3 LYS A 49 13.378 0.652 -6.246 1.00 51.14 H new ATOM 0 HG2 LYS A 49 14.465 0.680 -3.402 1.00 0.41 H new ATOM 0 HG3 LYS A 49 14.920 -0.496 -4.619 1.00 0.41 H new ATOM 0 HD2 LYS A 49 15.299 2.493 -4.994 1.00 44.34 H new ATOM 0 HD3 LYS A 49 16.519 1.459 -4.275 1.00 44.34 H new ATOM 0 HE2 LYS A 49 15.354 1.105 -7.067 1.00 44.34 H new ATOM 0 HE3 LYS A 49 16.895 1.859 -6.708 1.00 44.34 H new ATOM 0 HZ1 LYS A 49 17.403 -0.326 -7.259 1.00 72.14 H new ATOM 0 HZ2 LYS A 49 17.472 -0.319 -5.562 1.00 72.14 H new ATOM 0 HZ3 LYS A 49 16.120 -0.973 -6.354 1.00 72.14 H new ATOM 647 N LYS A 50 12.975 3.238 -6.886 1.00 21.14 N ATOM 648 CA LYS A 50 13.535 4.245 -7.726 1.00 54.32 C ATOM 649 C LYS A 50 13.028 5.664 -7.377 1.00 43.21 C ATOM 650 O LYS A 50 13.833 6.582 -7.180 1.00 74.05 O ATOM 651 CB LYS A 50 13.228 3.913 -9.186 1.00 0.10 C ATOM 652 CG LYS A 50 13.908 4.824 -10.178 1.00 45.41 C ATOM 653 CD LYS A 50 15.400 4.755 -9.980 1.00 55.15 C ATOM 654 CE LYS A 50 16.161 5.624 -10.957 1.00 41.43 C ATOM 655 NZ LYS A 50 17.620 5.574 -10.702 1.00 54.14 N ATOM 0 H LYS A 50 12.428 2.539 -7.389 1.00 21.14 H new ATOM 0 HA LYS A 50 14.613 4.252 -7.562 1.00 54.32 H new ATOM 0 HB2 LYS A 50 13.530 2.885 -9.386 1.00 0.10 H new ATOM 0 HB3 LYS A 50 12.150 3.964 -9.341 1.00 0.10 H new ATOM 0 HG2 LYS A 50 13.651 4.529 -11.195 1.00 45.41 H new ATOM 0 HG3 LYS A 50 13.560 5.848 -10.046 1.00 45.41 H new ATOM 0 HD2 LYS A 50 15.642 5.062 -8.963 1.00 55.15 H new ATOM 0 HD3 LYS A 50 15.729 3.721 -10.087 1.00 55.15 H new ATOM 0 HE2 LYS A 50 15.957 5.294 -11.976 1.00 41.43 H new ATOM 0 HE3 LYS A 50 15.812 6.654 -10.879 1.00 41.43 H new ATOM 0 HZ1 LYS A 50 18.113 6.180 -11.388 1.00 54.14 H new ATOM 0 HZ2 LYS A 50 17.816 5.912 -9.738 1.00 54.14 H new ATOM 0 HZ3 LYS A 50 17.956 4.595 -10.800 1.00 54.14 H new ATOM 669 N LYS A 51 11.720 5.828 -7.284 1.00 42.34 N ATOM 670 CA LYS A 51 11.138 7.153 -7.088 1.00 51.53 C ATOM 671 C LYS A 51 11.197 7.633 -5.634 1.00 60.52 C ATOM 672 O LYS A 51 11.572 8.781 -5.360 1.00 51.05 O ATOM 673 CB LYS A 51 9.683 7.192 -7.584 1.00 42.02 C ATOM 674 CG LYS A 51 9.509 6.776 -9.040 1.00 10.14 C ATOM 675 CD LYS A 51 8.060 6.911 -9.509 1.00 43.31 C ATOM 676 CE LYS A 51 7.605 8.370 -9.530 1.00 53.41 C ATOM 677 NZ LYS A 51 6.206 8.520 -9.990 1.00 12.30 N ATOM 0 H LYS A 51 11.041 5.069 -7.340 1.00 42.34 H new ATOM 0 HA LYS A 51 11.749 7.836 -7.679 1.00 51.53 H new ATOM 0 HB2 LYS A 51 9.079 6.537 -6.956 1.00 42.02 H new ATOM 0 HB3 LYS A 51 9.295 8.203 -7.457 1.00 42.02 H new ATOM 0 HG2 LYS A 51 10.152 7.390 -9.671 1.00 10.14 H new ATOM 0 HG3 LYS A 51 9.834 5.743 -9.162 1.00 10.14 H new ATOM 0 HD2 LYS A 51 7.960 6.484 -10.507 1.00 43.31 H new ATOM 0 HD3 LYS A 51 7.409 6.337 -8.850 1.00 43.31 H new ATOM 0 HE2 LYS A 51 7.703 8.792 -8.530 1.00 53.41 H new ATOM 0 HE3 LYS A 51 8.263 8.943 -10.184 1.00 53.41 H new ATOM 0 HZ1 LYS A 51 6.058 9.488 -10.341 1.00 12.30 H new ATOM 0 HZ2 LYS A 51 6.017 7.841 -10.755 1.00 12.30 H new ATOM 0 HZ3 LYS A 51 5.558 8.337 -9.197 1.00 12.30 H new ATOM 691 N PHE A 52 10.849 6.768 -4.711 1.00 12.34 N ATOM 692 CA PHE A 52 10.743 7.172 -3.322 1.00 73.20 C ATOM 693 C PHE A 52 12.003 6.874 -2.517 1.00 12.44 C ATOM 694 O PHE A 52 12.136 7.345 -1.396 1.00 21.43 O ATOM 695 CB PHE A 52 9.498 6.551 -2.664 1.00 23.44 C ATOM 696 CG PHE A 52 8.201 6.942 -3.342 1.00 75.42 C ATOM 697 CD1 PHE A 52 7.726 8.241 -3.264 1.00 61.32 C ATOM 698 CD2 PHE A 52 7.468 6.016 -4.068 1.00 32.31 C ATOM 699 CE1 PHE A 52 6.551 8.610 -3.888 1.00 51.05 C ATOM 700 CE2 PHE A 52 6.292 6.380 -4.695 1.00 13.45 C ATOM 701 CZ PHE A 52 5.833 7.678 -4.603 1.00 23.34 C ATOM 0 H PHE A 52 10.635 5.787 -4.890 1.00 12.34 H new ATOM 0 HA PHE A 52 10.631 8.256 -3.319 1.00 73.20 H new ATOM 0 HB2 PHE A 52 9.593 5.465 -2.677 1.00 23.44 H new ATOM 0 HB3 PHE A 52 9.459 6.856 -1.618 1.00 23.44 H new ATOM 0 HD1 PHE A 52 8.284 8.978 -2.706 1.00 61.32 H new ATOM 0 HD2 PHE A 52 7.820 4.998 -4.144 1.00 32.31 H new ATOM 0 HE1 PHE A 52 6.196 9.627 -3.815 1.00 51.05 H new ATOM 0 HE2 PHE A 52 5.732 5.648 -5.258 1.00 13.45 H new ATOM 0 HZ PHE A 52 4.912 7.962 -5.091 1.00 23.34 H new ATOM 711 N GLY A 53 12.920 6.088 -3.097 1.00 71.10 N ATOM 712 CA GLY A 53 14.184 5.764 -2.425 1.00 31.52 C ATOM 713 C GLY A 53 13.963 5.113 -1.077 1.00 61.21 C ATOM 714 O GLY A 53 14.516 5.543 -0.067 1.00 74.43 O ATOM 0 H GLY A 53 12.812 5.669 -4.021 1.00 71.10 H new ATOM 0 HA2 GLY A 53 14.769 5.097 -3.058 1.00 31.52 H new ATOM 0 HA3 GLY A 53 14.769 6.675 -2.295 1.00 31.52 H new ATOM 718 N GLY A 54 13.163 4.078 -1.063 1.00 44.03 N ATOM 719 CA GLY A 54 12.796 3.473 0.186 1.00 32.21 C ATOM 720 C GLY A 54 13.754 2.435 0.735 1.00 11.43 C ATOM 721 O GLY A 54 13.898 2.331 1.943 1.00 3.24 O ATOM 0 H GLY A 54 12.759 3.643 -1.892 1.00 44.03 H new ATOM 0 HA2 GLY A 54 12.684 4.263 0.929 1.00 32.21 H new ATOM 0 HA3 GLY A 54 11.818 3.007 0.066 1.00 32.21 H new ATOM 725 N VAL A 55 14.439 1.714 -0.142 1.00 52.13 N ATOM 726 CA VAL A 55 15.214 0.514 0.251 1.00 31.41 C ATOM 727 C VAL A 55 16.177 0.712 1.446 1.00 1.25 C ATOM 728 O VAL A 55 16.089 -0.021 2.439 1.00 63.23 O ATOM 729 CB VAL A 55 15.944 -0.144 -0.963 1.00 44.22 C ATOM 730 CG1 VAL A 55 16.962 0.789 -1.609 1.00 54.12 C ATOM 731 CG2 VAL A 55 16.575 -1.477 -0.573 1.00 44.44 C ATOM 0 H VAL A 55 14.482 1.929 -1.138 1.00 52.13 H new ATOM 0 HA VAL A 55 14.454 -0.179 0.613 1.00 31.41 H new ATOM 0 HB VAL A 55 15.183 -0.342 -1.718 1.00 44.22 H new ATOM 0 HG11 VAL A 55 17.440 0.282 -2.447 1.00 54.12 H new ATOM 0 HG12 VAL A 55 16.457 1.686 -1.968 1.00 54.12 H new ATOM 0 HG13 VAL A 55 17.718 1.067 -0.875 1.00 54.12 H new ATOM 0 HG21 VAL A 55 17.075 -1.910 -1.439 1.00 44.44 H new ATOM 0 HG22 VAL A 55 17.302 -1.316 0.223 1.00 44.44 H new ATOM 0 HG23 VAL A 55 15.799 -2.158 -0.224 1.00 44.44 H new ATOM 737 N GLN A 56 17.040 1.700 1.383 1.00 41.05 N ATOM 738 CA GLN A 56 18.005 1.900 2.432 1.00 12.25 C ATOM 739 C GLN A 56 17.329 2.407 3.693 1.00 35.32 C ATOM 740 O GLN A 56 17.644 1.964 4.787 1.00 73.01 O ATOM 741 CB GLN A 56 19.099 2.855 1.990 1.00 32.14 C ATOM 742 CG GLN A 56 20.171 3.071 3.027 1.00 54.04 C ATOM 743 CD GLN A 56 20.900 1.784 3.386 1.00 32.40 C ATOM 744 OE1 GLN A 56 21.896 1.419 2.757 1.00 3.34 O ATOM 745 NE2 GLN A 56 20.424 1.098 4.391 1.00 22.42 N ATOM 0 H GLN A 56 17.091 2.373 0.619 1.00 41.05 H new ATOM 0 HA GLN A 56 18.466 0.938 2.653 1.00 12.25 H new ATOM 0 HB2 GLN A 56 19.559 2.470 1.080 1.00 32.14 H new ATOM 0 HB3 GLN A 56 18.650 3.816 1.739 1.00 32.14 H new ATOM 0 HG2 GLN A 56 20.890 3.801 2.655 1.00 54.04 H new ATOM 0 HG3 GLN A 56 19.723 3.494 3.926 1.00 54.04 H new ATOM 0 HE21 GLN A 56 19.598 1.430 4.889 1.00 22.42 H new ATOM 0 HE22 GLN A 56 20.878 0.231 4.677 1.00 22.42 H new ATOM 753 N GLU A 57 16.398 3.314 3.517 1.00 61.32 N ATOM 754 CA GLU A 57 15.655 3.913 4.621 1.00 0.03 C ATOM 755 C GLU A 57 14.885 2.862 5.425 1.00 21.33 C ATOM 756 O GLU A 57 14.759 2.970 6.642 1.00 44.44 O ATOM 757 CB GLU A 57 14.691 4.980 4.106 1.00 44.30 C ATOM 758 CG GLU A 57 15.364 6.085 3.313 1.00 54.42 C ATOM 759 CD GLU A 57 16.453 6.783 4.091 1.00 34.32 C ATOM 760 OE1 GLU A 57 16.146 7.722 4.852 1.00 20.00 O ATOM 761 OE2 GLU A 57 17.629 6.410 3.941 1.00 22.43 O ATOM 0 H GLU A 57 16.126 3.666 2.599 1.00 61.32 H new ATOM 0 HA GLU A 57 16.384 4.378 5.284 1.00 0.03 H new ATOM 0 HB2 GLU A 57 13.938 4.503 3.479 1.00 44.30 H new ATOM 0 HB3 GLU A 57 14.167 5.422 4.953 1.00 44.30 H new ATOM 0 HG2 GLU A 57 15.788 5.665 2.401 1.00 54.42 H new ATOM 0 HG3 GLU A 57 14.615 6.816 3.009 1.00 54.42 H new ATOM 768 N LEU A 58 14.387 1.848 4.747 1.00 13.43 N ATOM 769 CA LEU A 58 13.642 0.787 5.411 1.00 64.42 C ATOM 770 C LEU A 58 14.569 -0.035 6.270 1.00 61.11 C ATOM 771 O LEU A 58 14.263 -0.331 7.428 1.00 62.10 O ATOM 772 CB LEU A 58 12.959 -0.105 4.397 1.00 61.50 C ATOM 773 CG LEU A 58 12.045 0.600 3.413 1.00 54.10 C ATOM 774 CD1 LEU A 58 11.400 -0.394 2.506 1.00 63.32 C ATOM 775 CD2 LEU A 58 11.008 1.446 4.120 1.00 4.22 C ATOM 0 H LEU A 58 14.482 1.732 3.738 1.00 13.43 H new ATOM 0 HA LEU A 58 12.879 1.246 6.040 1.00 64.42 H new ATOM 0 HB2 LEU A 58 13.725 -0.639 3.835 1.00 61.50 H new ATOM 0 HB3 LEU A 58 12.377 -0.854 4.933 1.00 61.50 H new ATOM 0 HG LEU A 58 12.654 1.276 2.812 1.00 54.10 H new ATOM 0 HD11 LEU A 58 10.746 0.124 1.804 1.00 63.32 H new ATOM 0 HD12 LEU A 58 12.168 -0.935 1.954 1.00 63.32 H new ATOM 0 HD13 LEU A 58 10.813 -1.098 3.096 1.00 63.32 H new ATOM 0 HD21 LEU A 58 10.372 1.935 3.382 1.00 4.22 H new ATOM 0 HD22 LEU A 58 10.397 0.811 4.762 1.00 4.22 H new ATOM 0 HD23 LEU A 58 11.507 2.202 4.726 1.00 4.22 H new ATOM 783 N LEU A 59 15.717 -0.375 5.710 1.00 13.44 N ATOM 784 CA LEU A 59 16.736 -1.115 6.433 1.00 43.33 C ATOM 785 C LEU A 59 17.308 -0.242 7.538 1.00 65.33 C ATOM 786 O LEU A 59 17.745 -0.719 8.560 1.00 71.44 O ATOM 787 CB LEU A 59 17.853 -1.567 5.485 1.00 34.44 C ATOM 788 CG LEU A 59 17.435 -2.483 4.325 1.00 23.42 C ATOM 789 CD1 LEU A 59 18.633 -2.813 3.453 1.00 23.43 C ATOM 790 CD2 LEU A 59 16.795 -3.764 4.848 1.00 43.31 C ATOM 0 H LEU A 59 15.968 -0.148 4.748 1.00 13.44 H new ATOM 0 HA LEU A 59 16.282 -2.004 6.871 1.00 43.33 H new ATOM 0 HB2 LEU A 59 18.326 -0.679 5.066 1.00 34.44 H new ATOM 0 HB3 LEU A 59 18.611 -2.084 6.073 1.00 34.44 H new ATOM 0 HG LEU A 59 16.697 -1.953 3.723 1.00 23.42 H new ATOM 0 HD11 LEU A 59 18.320 -3.463 2.636 1.00 23.43 H new ATOM 0 HD12 LEU A 59 19.051 -1.893 3.045 1.00 23.43 H new ATOM 0 HD13 LEU A 59 19.389 -3.321 4.051 1.00 23.43 H new ATOM 0 HD21 LEU A 59 16.507 -4.396 4.008 1.00 43.31 H new ATOM 0 HD22 LEU A 59 17.509 -4.297 5.476 1.00 43.31 H new ATOM 0 HD23 LEU A 59 15.911 -3.516 5.435 1.00 43.31 H new ATOM 798 N ASN A 60 17.285 1.048 7.313 1.00 12.25 N ATOM 799 CA ASN A 60 17.772 2.004 8.283 1.00 44.54 C ATOM 800 C ASN A 60 16.837 2.021 9.501 1.00 34.45 C ATOM 801 O ASN A 60 17.289 2.092 10.635 1.00 21.43 O ATOM 802 CB ASN A 60 17.815 3.397 7.644 1.00 32.21 C ATOM 803 CG ASN A 60 18.448 4.446 8.523 1.00 23.33 C ATOM 804 OD1 ASN A 60 17.785 5.069 9.348 1.00 35.43 O ATOM 805 ND2 ASN A 60 19.705 4.697 8.309 1.00 71.25 N ATOM 0 H ASN A 60 16.929 1.467 6.454 1.00 12.25 H new ATOM 0 HA ASN A 60 18.774 1.721 8.604 1.00 44.54 H new ATOM 0 HB2 ASN A 60 18.367 3.340 6.706 1.00 32.21 H new ATOM 0 HB3 ASN A 60 16.799 3.706 7.398 1.00 32.21 H new ATOM 0 HD21 ASN A 60 20.175 5.434 8.835 1.00 71.25 H new ATOM 0 HD22 ASN A 60 20.222 4.157 7.615 1.00 71.25 H new ATOM 811 N GLN A 61 15.533 1.910 9.252 1.00 74.21 N ATOM 812 CA GLN A 61 14.547 1.889 10.334 1.00 33.15 C ATOM 813 C GLN A 61 14.470 0.506 10.980 1.00 30.21 C ATOM 814 O GLN A 61 14.111 0.383 12.148 1.00 51.24 O ATOM 815 CB GLN A 61 13.149 2.319 9.846 1.00 71.13 C ATOM 816 CG GLN A 61 13.099 3.707 9.225 1.00 51.33 C ATOM 817 CD GLN A 61 11.688 4.160 8.882 1.00 33.05 C ATOM 818 OE1 GLN A 61 11.015 4.790 9.690 1.00 1.11 O ATOM 819 NE2 GLN A 61 11.221 3.833 7.702 1.00 64.35 N ATOM 0 H GLN A 61 15.135 1.834 8.316 1.00 74.21 H new ATOM 0 HA GLN A 61 14.881 2.610 11.080 1.00 33.15 H new ATOM 0 HB2 GLN A 61 12.794 1.594 9.114 1.00 71.13 H new ATOM 0 HB3 GLN A 61 12.458 2.286 10.688 1.00 71.13 H new ATOM 0 HG2 GLN A 61 13.546 4.423 9.915 1.00 51.33 H new ATOM 0 HG3 GLN A 61 13.706 3.715 8.320 1.00 51.33 H new ATOM 0 HE21 GLN A 61 11.804 3.308 7.050 1.00 64.35 H new ATOM 0 HE22 GLN A 61 10.274 4.103 7.435 1.00 64.35 H new ATOM 827 N GLN A 62 14.799 -0.524 10.195 1.00 42.24 N ATOM 828 CA GLN A 62 14.777 -1.920 10.642 1.00 14.14 C ATOM 829 C GLN A 62 13.396 -2.409 10.978 1.00 5.00 C ATOM 830 O GLN A 62 12.961 -2.380 12.129 1.00 64.11 O ATOM 831 CB GLN A 62 15.761 -2.197 11.772 1.00 54.54 C ATOM 832 CG GLN A 62 17.193 -2.170 11.328 1.00 75.43 C ATOM 833 CD GLN A 62 17.562 -3.361 10.463 1.00 34.34 C ATOM 834 OE1 GLN A 62 17.007 -4.452 10.604 1.00 32.24 O ATOM 835 NE2 GLN A 62 18.482 -3.166 9.567 1.00 71.31 N ATOM 0 H GLN A 62 15.090 -0.412 9.224 1.00 42.24 H new ATOM 0 HA GLN A 62 15.113 -2.500 9.782 1.00 14.14 H new ATOM 0 HB2 GLN A 62 15.618 -1.457 12.560 1.00 54.54 H new ATOM 0 HB3 GLN A 62 15.540 -3.172 12.206 1.00 54.54 H new ATOM 0 HG2 GLN A 62 17.379 -1.251 10.772 1.00 75.43 H new ATOM 0 HG3 GLN A 62 17.840 -2.149 12.205 1.00 75.43 H new ATOM 0 HE21 GLN A 62 18.921 -2.250 9.478 1.00 71.31 H new ATOM 0 HE22 GLN A 62 18.766 -3.929 8.953 1.00 71.31 H new ATOM 843 N LYS A 63 12.696 -2.803 9.968 1.00 43.42 N ATOM 844 CA LYS A 63 11.388 -3.367 10.119 1.00 12.22 C ATOM 845 C LYS A 63 11.382 -4.816 9.742 1.00 13.14 C ATOM 846 O LYS A 63 12.014 -5.220 8.759 1.00 63.11 O ATOM 847 CB LYS A 63 10.317 -2.580 9.361 1.00 45.33 C ATOM 848 CG LYS A 63 10.051 -1.192 9.930 1.00 32.42 C ATOM 849 CD LYS A 63 9.779 -1.309 11.410 1.00 43.44 C ATOM 850 CE LYS A 63 9.218 -0.039 12.020 1.00 23.22 C ATOM 851 NZ LYS A 63 9.023 -0.200 13.480 1.00 60.10 N ATOM 0 H LYS A 63 13.016 -2.744 9.001 1.00 43.42 H new ATOM 0 HA LYS A 63 11.129 -3.293 11.175 1.00 12.22 H new ATOM 0 HB2 LYS A 63 10.621 -2.482 8.319 1.00 45.33 H new ATOM 0 HB3 LYS A 63 9.388 -3.149 9.370 1.00 45.33 H new ATOM 0 HG2 LYS A 63 10.909 -0.543 9.756 1.00 32.42 H new ATOM 0 HG3 LYS A 63 9.199 -0.736 9.426 1.00 32.42 H new ATOM 0 HD2 LYS A 63 9.077 -2.126 11.580 1.00 43.44 H new ATOM 0 HD3 LYS A 63 10.704 -1.572 11.923 1.00 43.44 H new ATOM 0 HE2 LYS A 63 9.896 0.793 11.828 1.00 23.22 H new ATOM 0 HE3 LYS A 63 8.268 0.209 11.546 1.00 23.22 H new ATOM 0 HZ1 LYS A 63 8.262 0.432 13.800 1.00 60.10 H new ATOM 0 HZ2 LYS A 63 8.766 -1.186 13.689 1.00 60.10 H new ATOM 0 HZ3 LYS A 63 9.905 0.041 13.977 1.00 60.10 H new ATOM 865 N LYS A 64 10.700 -5.597 10.535 1.00 51.14 N ATOM 866 CA LYS A 64 10.636 -7.018 10.357 1.00 71.02 C ATOM 867 C LYS A 64 9.204 -7.491 10.226 1.00 12.51 C ATOM 868 O LYS A 64 8.277 -6.695 10.364 1.00 54.41 O ATOM 869 CB LYS A 64 11.383 -7.755 11.454 1.00 62.15 C ATOM 870 CG LYS A 64 12.874 -7.434 11.489 1.00 61.32 C ATOM 871 CD LYS A 64 13.626 -8.305 12.478 1.00 40.21 C ATOM 872 CE LYS A 64 13.579 -9.775 12.080 1.00 51.01 C ATOM 873 NZ LYS A 64 14.357 -10.621 13.007 1.00 42.21 N ATOM 0 H LYS A 64 10.166 -5.257 11.334 1.00 51.14 H new ATOM 0 HA LYS A 64 11.140 -7.256 9.420 1.00 71.02 H new ATOM 0 HB2 LYS A 64 10.941 -7.502 12.418 1.00 62.15 H new ATOM 0 HB3 LYS A 64 11.253 -8.828 11.315 1.00 62.15 H new ATOM 0 HG2 LYS A 64 13.296 -7.570 10.493 1.00 61.32 H new ATOM 0 HG3 LYS A 64 13.012 -6.386 11.753 1.00 61.32 H new ATOM 0 HD2 LYS A 64 14.664 -7.977 12.537 1.00 40.21 H new ATOM 0 HD3 LYS A 64 13.196 -8.183 13.472 1.00 40.21 H new ATOM 0 HE2 LYS A 64 12.543 -10.113 12.062 1.00 51.01 H new ATOM 0 HE3 LYS A 64 13.969 -9.890 11.069 1.00 51.01 H new ATOM 0 HZ1 LYS A 64 14.300 -11.614 12.702 1.00 42.21 H new ATOM 0 HZ2 LYS A 64 15.351 -10.315 13.005 1.00 42.21 H new ATOM 0 HZ3 LYS A 64 13.969 -10.531 13.968 1.00 42.21 H new ATOM 887 N SER A 65 9.047 -8.763 9.909 1.00 71.54 N ATOM 888 CA SER A 65 7.757 -9.393 9.651 1.00 63.14 C ATOM 889 C SER A 65 6.677 -9.020 10.678 1.00 53.23 C ATOM 890 O SER A 65 6.866 -9.144 11.897 1.00 52.34 O ATOM 891 CB SER A 65 7.953 -10.917 9.574 1.00 54.21 C ATOM 892 OG SER A 65 8.707 -11.409 10.692 1.00 24.12 O ATOM 0 H SER A 65 9.833 -9.408 9.820 1.00 71.54 H new ATOM 0 HA SER A 65 7.387 -9.015 8.698 1.00 63.14 H new ATOM 0 HB2 SER A 65 6.981 -11.409 9.545 1.00 54.21 H new ATOM 0 HB3 SER A 65 8.467 -11.172 8.647 1.00 54.21 H new ATOM 0 HG SER A 65 9.659 -11.220 10.553 1.00 24.12 H new ATOM 898 N GLY A 66 5.553 -8.542 10.167 1.00 1.41 N ATOM 899 CA GLY A 66 4.461 -8.138 11.016 1.00 54.55 C ATOM 900 C GLY A 66 4.471 -6.648 11.280 1.00 60.32 C ATOM 901 O GLY A 66 3.637 -6.133 12.028 1.00 2.51 O ATOM 0 H GLY A 66 5.380 -8.427 9.168 1.00 1.41 H new ATOM 0 HA2 GLY A 66 3.516 -8.417 10.550 1.00 54.55 H new ATOM 0 HA3 GLY A 66 4.520 -8.675 11.963 1.00 54.55 H new ATOM 905 N GLU A 67 5.414 -5.956 10.681 1.00 52.44 N ATOM 906 CA GLU A 67 5.507 -4.524 10.820 1.00 62.20 C ATOM 907 C GLU A 67 5.305 -3.842 9.486 1.00 70.13 C ATOM 908 O GLU A 67 5.237 -4.494 8.434 1.00 63.45 O ATOM 909 CB GLU A 67 6.858 -4.090 11.405 1.00 51.05 C ATOM 910 CG GLU A 67 7.164 -4.623 12.786 1.00 24.04 C ATOM 911 CD GLU A 67 8.424 -4.019 13.343 1.00 75.32 C ATOM 912 OE1 GLU A 67 8.338 -2.929 13.968 1.00 61.23 O ATOM 913 OE2 GLU A 67 9.518 -4.604 13.157 1.00 30.10 O ATOM 0 H GLU A 67 6.133 -6.369 10.087 1.00 52.44 H new ATOM 0 HA GLU A 67 4.719 -4.224 11.511 1.00 62.20 H new ATOM 0 HB2 GLU A 67 7.649 -4.410 10.726 1.00 51.05 H new ATOM 0 HB3 GLU A 67 6.888 -3.001 11.439 1.00 51.05 H new ATOM 0 HG2 GLU A 67 6.330 -4.407 13.454 1.00 24.04 H new ATOM 0 HG3 GLU A 67 7.267 -5.707 12.744 1.00 24.04 H new ATOM 920 N VAL A 68 5.203 -2.543 9.531 1.00 75.41 N ATOM 921 CA VAL A 68 5.073 -1.747 8.353 1.00 25.34 C ATOM 922 C VAL A 68 6.126 -0.654 8.413 1.00 25.53 C ATOM 923 O VAL A 68 6.430 -0.127 9.492 1.00 71.22 O ATOM 924 CB VAL A 68 3.640 -1.117 8.223 1.00 32.41 C ATOM 925 CG1 VAL A 68 3.338 -0.159 9.369 1.00 64.14 C ATOM 926 CG2 VAL A 68 3.456 -0.418 6.880 1.00 72.32 C ATOM 0 H VAL A 68 5.208 -2.006 10.398 1.00 75.41 H new ATOM 0 HA VAL A 68 5.217 -2.378 7.476 1.00 25.34 H new ATOM 0 HB VAL A 68 2.928 -1.940 8.278 1.00 32.41 H new ATOM 0 HG11 VAL A 68 2.338 0.256 9.243 1.00 64.14 H new ATOM 0 HG12 VAL A 68 3.391 -0.696 10.316 1.00 64.14 H new ATOM 0 HG13 VAL A 68 4.069 0.650 9.369 1.00 64.14 H new ATOM 0 HG21 VAL A 68 2.453 0.006 6.825 1.00 72.32 H new ATOM 0 HG22 VAL A 68 4.193 0.379 6.781 1.00 72.32 H new ATOM 0 HG23 VAL A 68 3.590 -1.139 6.073 1.00 72.32 H new ATOM 932 N ALA A 69 6.715 -0.366 7.308 1.00 54.12 N ATOM 933 CA ALA A 69 7.659 0.699 7.228 1.00 21.33 C ATOM 934 C ALA A 69 7.050 1.796 6.396 1.00 55.22 C ATOM 935 O ALA A 69 6.545 1.539 5.310 1.00 74.33 O ATOM 936 CB ALA A 69 8.964 0.213 6.638 1.00 10.45 C ATOM 0 H ALA A 69 6.558 -0.861 6.430 1.00 54.12 H new ATOM 0 HA ALA A 69 7.888 1.080 8.223 1.00 21.33 H new ATOM 0 HB1 ALA A 69 9.671 1.041 6.586 1.00 10.45 H new ATOM 0 HB2 ALA A 69 9.376 -0.576 7.267 1.00 10.45 H new ATOM 0 HB3 ALA A 69 8.787 -0.177 5.636 1.00 10.45 H new ATOM 942 N VAL A 70 7.064 2.999 6.899 1.00 71.12 N ATOM 943 CA VAL A 70 6.422 4.098 6.212 1.00 12.01 C ATOM 944 C VAL A 70 7.429 5.187 5.991 1.00 1.13 C ATOM 945 O VAL A 70 8.306 5.402 6.833 1.00 43.35 O ATOM 946 CB VAL A 70 5.233 4.686 7.037 1.00 32.52 C ATOM 947 CG1 VAL A 70 4.439 5.716 6.241 1.00 62.20 C ATOM 948 CG2 VAL A 70 4.334 3.602 7.607 1.00 72.25 C ATOM 0 H VAL A 70 7.511 3.249 7.781 1.00 71.12 H new ATOM 0 HA VAL A 70 6.031 3.720 5.267 1.00 12.01 H new ATOM 0 HB VAL A 70 5.675 5.207 7.886 1.00 32.52 H new ATOM 0 HG11 VAL A 70 3.622 6.098 6.853 1.00 62.20 H new ATOM 0 HG12 VAL A 70 5.094 6.539 5.955 1.00 62.20 H new ATOM 0 HG13 VAL A 70 4.032 5.248 5.345 1.00 62.20 H new ATOM 0 HG21 VAL A 70 3.523 4.062 8.172 1.00 72.25 H new ATOM 0 HG22 VAL A 70 3.918 3.009 6.793 1.00 72.25 H new ATOM 0 HG23 VAL A 70 4.915 2.957 8.266 1.00 72.25 H new ATOM 954 N LEU A 71 7.330 5.846 4.872 1.00 31.24 N ATOM 955 CA LEU A 71 8.199 6.948 4.547 1.00 41.11 C ATOM 956 C LEU A 71 7.343 8.116 4.105 1.00 5.50 C ATOM 957 O LEU A 71 6.411 7.922 3.318 1.00 14.31 O ATOM 958 CB LEU A 71 9.109 6.565 3.374 1.00 34.41 C ATOM 959 CG LEU A 71 9.931 5.282 3.509 1.00 21.21 C ATOM 960 CD1 LEU A 71 10.719 5.055 2.251 1.00 33.31 C ATOM 961 CD2 LEU A 71 10.868 5.339 4.702 1.00 24.22 C ATOM 0 H LEU A 71 6.639 5.634 4.152 1.00 31.24 H new ATOM 0 HA LEU A 71 8.802 7.203 5.419 1.00 41.11 H new ATOM 0 HB2 LEU A 71 8.489 6.475 2.482 1.00 34.41 H new ATOM 0 HB3 LEU A 71 9.799 7.390 3.200 1.00 34.41 H new ATOM 0 HG LEU A 71 9.241 4.454 3.669 1.00 21.21 H new ATOM 0 HD11 LEU A 71 11.304 4.141 2.348 1.00 33.31 H new ATOM 0 HD12 LEU A 71 10.037 4.961 1.406 1.00 33.31 H new ATOM 0 HD13 LEU A 71 11.389 5.899 2.084 1.00 33.31 H new ATOM 0 HD21 LEU A 71 11.435 4.410 4.764 1.00 24.22 H new ATOM 0 HD22 LEU A 71 11.556 6.176 4.585 1.00 24.22 H new ATOM 0 HD23 LEU A 71 10.287 5.472 5.615 1.00 24.22 H new ATOM 969 N LYS A 72 7.607 9.303 4.616 1.00 55.44 N ATOM 970 CA LYS A 72 6.929 10.469 4.104 1.00 52.34 C ATOM 971 C LYS A 72 7.692 10.952 2.889 1.00 1.23 C ATOM 972 O LYS A 72 8.852 11.354 3.001 1.00 54.55 O ATOM 973 CB LYS A 72 6.832 11.603 5.127 1.00 63.32 C ATOM 974 CG LYS A 72 6.158 12.856 4.547 1.00 72.14 C ATOM 975 CD LYS A 72 6.043 14.003 5.546 1.00 31.52 C ATOM 976 CE LYS A 72 5.109 13.673 6.693 1.00 4.21 C ATOM 977 NZ LYS A 72 4.933 14.814 7.615 1.00 33.35 N ATOM 0 H LYS A 72 8.272 9.480 5.369 1.00 55.44 H new ATOM 0 HA LYS A 72 5.906 10.186 3.856 1.00 52.34 H new ATOM 0 HB2 LYS A 72 6.269 11.259 5.995 1.00 63.32 H new ATOM 0 HB3 LYS A 72 7.832 11.860 5.477 1.00 63.32 H new ATOM 0 HG2 LYS A 72 6.725 13.195 3.680 1.00 72.14 H new ATOM 0 HG3 LYS A 72 5.162 12.592 4.193 1.00 72.14 H new ATOM 0 HD2 LYS A 72 7.031 14.239 5.941 1.00 31.52 H new ATOM 0 HD3 LYS A 72 5.684 14.895 5.033 1.00 31.52 H new ATOM 0 HE2 LYS A 72 4.138 13.376 6.295 1.00 4.21 H new ATOM 0 HE3 LYS A 72 5.502 12.819 7.245 1.00 4.21 H new ATOM 0 HZ1 LYS A 72 4.287 14.543 8.383 1.00 33.35 H new ATOM 0 HZ2 LYS A 72 5.855 15.082 8.016 1.00 33.35 H new ATOM 0 HZ3 LYS A 72 4.534 15.622 7.096 1.00 33.35 H new ATOM 991 N ARG A 73 7.074 10.890 1.753 1.00 41.31 N ATOM 992 CA ARG A 73 7.710 11.281 0.502 1.00 14.24 C ATOM 993 C ARG A 73 6.752 12.089 -0.343 1.00 65.01 C ATOM 994 O ARG A 73 5.652 11.646 -0.613 1.00 13.55 O ATOM 995 CB ARG A 73 8.199 10.047 -0.274 1.00 31.14 C ATOM 996 CG ARG A 73 9.297 9.250 0.426 1.00 63.15 C ATOM 997 CD ARG A 73 10.558 10.084 0.580 1.00 52.22 C ATOM 998 NE ARG A 73 11.622 9.370 1.289 1.00 51.24 N ATOM 999 CZ ARG A 73 12.923 9.487 1.010 1.00 51.42 C ATOM 1000 NH1 ARG A 73 13.323 10.256 0.006 1.00 51.33 N ATOM 1001 NH2 ARG A 73 13.818 8.836 1.738 1.00 22.24 N ATOM 0 H ARG A 73 6.112 10.568 1.649 1.00 41.31 H new ATOM 0 HA ARG A 73 8.576 11.899 0.738 1.00 14.24 H new ATOM 0 HB2 ARG A 73 7.350 9.388 -0.456 1.00 31.14 H new ATOM 0 HB3 ARG A 73 8.567 10.369 -1.248 1.00 31.14 H new ATOM 0 HG2 ARG A 73 8.948 8.926 1.407 1.00 63.15 H new ATOM 0 HG3 ARG A 73 9.519 8.349 -0.146 1.00 63.15 H new ATOM 0 HD2 ARG A 73 10.917 10.378 -0.406 1.00 52.22 H new ATOM 0 HD3 ARG A 73 10.319 11.001 1.119 1.00 52.22 H new ATOM 0 HE ARG A 73 11.352 8.742 2.046 1.00 51.24 H new ATOM 0 HH11 ARG A 73 12.636 10.760 -0.555 1.00 51.33 H new ATOM 0 HH12 ARG A 73 14.317 10.343 -0.205 1.00 51.33 H new ATOM 0 HH21 ARG A 73 13.514 8.245 2.512 1.00 22.24 H new ATOM 0 HH22 ARG A 73 14.811 8.926 1.525 1.00 22.24 H new ATOM 1013 N ASP A 74 7.172 13.291 -0.726 1.00 11.44 N ATOM 1014 CA ASP A 74 6.362 14.243 -1.537 1.00 32.30 C ATOM 1015 C ASP A 74 5.072 14.594 -0.780 1.00 4.14 C ATOM 1016 O ASP A 74 4.050 14.961 -1.357 1.00 15.41 O ATOM 1017 CB ASP A 74 6.065 13.648 -2.960 1.00 53.31 C ATOM 1018 CG ASP A 74 5.326 14.611 -3.910 1.00 54.10 C ATOM 1019 OD1 ASP A 74 5.911 15.652 -4.297 1.00 65.25 O ATOM 1020 OD2 ASP A 74 4.156 14.338 -4.283 1.00 74.10 O ATOM 0 H ASP A 74 8.095 13.652 -0.487 1.00 11.44 H new ATOM 0 HA ASP A 74 6.927 15.162 -1.690 1.00 32.30 H new ATOM 0 HB2 ASP A 74 7.008 13.354 -3.422 1.00 53.31 H new ATOM 0 HB3 ASP A 74 5.470 12.742 -2.845 1.00 53.31 H new ATOM 1025 N GLY A 75 5.166 14.546 0.537 1.00 3.04 N ATOM 1026 CA GLY A 75 4.040 14.874 1.381 1.00 75.55 C ATOM 1027 C GLY A 75 3.088 13.707 1.606 1.00 5.32 C ATOM 1028 O GLY A 75 2.183 13.799 2.433 1.00 53.31 O ATOM 0 H GLY A 75 6.012 14.283 1.042 1.00 3.04 H new ATOM 0 HA2 GLY A 75 4.409 15.223 2.346 1.00 75.55 H new ATOM 0 HA3 GLY A 75 3.489 15.701 0.933 1.00 75.55 H new ATOM 1032 N ARG A 76 3.285 12.619 0.892 1.00 24.24 N ATOM 1033 CA ARG A 76 2.410 11.473 1.024 1.00 74.23 C ATOM 1034 C ARG A 76 3.154 10.390 1.783 1.00 51.30 C ATOM 1035 O ARG A 76 4.354 10.527 2.050 1.00 33.50 O ATOM 1036 CB ARG A 76 2.007 10.960 -0.368 1.00 43.41 C ATOM 1037 CG ARG A 76 3.111 10.235 -1.108 1.00 64.10 C ATOM 1038 CD ARG A 76 2.765 10.005 -2.549 1.00 33.34 C ATOM 1039 NE ARG A 76 2.804 11.244 -3.330 1.00 65.00 N ATOM 1040 CZ ARG A 76 2.291 11.392 -4.551 1.00 55.14 C ATOM 1041 NH1 ARG A 76 1.525 10.439 -5.077 1.00 20.20 N ATOM 1042 NH2 ARG A 76 2.516 12.506 -5.225 1.00 40.11 N ATOM 0 H ARG A 76 4.040 12.504 0.216 1.00 24.24 H new ATOM 0 HA ARG A 76 1.505 11.751 1.564 1.00 74.23 H new ATOM 0 HB2 ARG A 76 1.155 10.289 -0.262 1.00 43.41 H new ATOM 0 HB3 ARG A 76 1.675 11.805 -0.972 1.00 43.41 H new ATOM 0 HG2 ARG A 76 4.032 10.815 -1.044 1.00 64.10 H new ATOM 0 HG3 ARG A 76 3.304 9.277 -0.624 1.00 64.10 H new ATOM 0 HD2 ARG A 76 3.461 9.285 -2.978 1.00 33.34 H new ATOM 0 HD3 ARG A 76 1.770 9.566 -2.617 1.00 33.34 H new ATOM 0 HE ARG A 76 3.258 12.054 -2.908 1.00 65.00 H new ATOM 0 HH11 ARG A 76 1.328 9.591 -4.545 1.00 20.20 H new ATOM 0 HH12 ARG A 76 1.134 10.557 -6.012 1.00 20.20 H new ATOM 0 HH21 ARG A 76 3.080 13.248 -4.810 1.00 40.11 H new ATOM 0 HH22 ARG A 76 2.126 12.624 -6.160 1.00 40.11 H new ATOM 1054 N TYR A 77 2.480 9.339 2.134 1.00 63.42 N ATOM 1055 CA TYR A 77 3.123 8.258 2.812 1.00 3.44 C ATOM 1056 C TYR A 77 3.290 7.062 1.933 1.00 11.32 C ATOM 1057 O TYR A 77 2.541 6.867 0.971 1.00 70.05 O ATOM 1058 CB TYR A 77 2.414 7.898 4.092 1.00 2.44 C ATOM 1059 CG TYR A 77 2.582 8.933 5.146 1.00 35.42 C ATOM 1060 CD1 TYR A 77 3.806 9.093 5.749 1.00 42.12 C ATOM 1061 CD2 TYR A 77 1.535 9.736 5.551 1.00 50.40 C ATOM 1062 CE1 TYR A 77 4.006 10.011 6.726 1.00 53.42 C ATOM 1063 CE2 TYR A 77 1.717 10.681 6.540 1.00 1.43 C ATOM 1064 CZ TYR A 77 2.959 10.813 7.129 1.00 53.11 C ATOM 1065 OH TYR A 77 3.142 11.738 8.131 1.00 12.31 O ATOM 0 H TYR A 77 1.483 9.207 1.962 1.00 63.42 H new ATOM 0 HA TYR A 77 4.121 8.607 3.076 1.00 3.44 H new ATOM 0 HB2 TYR A 77 1.352 7.760 3.889 1.00 2.44 H new ATOM 0 HB3 TYR A 77 2.795 6.945 4.459 1.00 2.44 H new ATOM 0 HD1 TYR A 77 4.631 8.470 5.436 1.00 42.12 H new ATOM 0 HD2 TYR A 77 0.565 9.624 5.090 1.00 50.40 H new ATOM 0 HE1 TYR A 77 4.978 10.114 7.185 1.00 53.42 H new ATOM 0 HE2 TYR A 77 0.896 11.311 6.850 1.00 1.43 H new ATOM 0 HH TYR A 77 2.432 11.641 8.800 1.00 12.31 H new ATOM 1075 N ILE A 78 4.278 6.268 2.242 1.00 54.41 N ATOM 1076 CA ILE A 78 4.537 5.076 1.490 1.00 61.25 C ATOM 1077 C ILE A 78 4.579 3.942 2.480 1.00 63.33 C ATOM 1078 O ILE A 78 5.423 3.936 3.373 1.00 13.04 O ATOM 1079 CB ILE A 78 5.907 5.139 0.741 1.00 31.01 C ATOM 1080 CG1 ILE A 78 6.041 6.438 -0.082 1.00 43.25 C ATOM 1081 CG2 ILE A 78 6.053 3.930 -0.182 1.00 50.51 C ATOM 1082 CD1 ILE A 78 5.004 6.605 -1.170 1.00 61.53 C ATOM 0 H ILE A 78 4.921 6.429 3.017 1.00 54.41 H new ATOM 0 HA ILE A 78 3.760 4.948 0.736 1.00 61.25 H new ATOM 0 HB ILE A 78 6.698 5.128 1.491 1.00 31.01 H new ATOM 0 HG12 ILE A 78 5.978 7.290 0.595 1.00 43.25 H new ATOM 0 HG13 ILE A 78 7.032 6.464 -0.536 1.00 43.25 H new ATOM 0 HG21 ILE A 78 7.010 3.981 -0.700 1.00 50.51 H new ATOM 0 HG22 ILE A 78 6.008 3.014 0.408 1.00 50.51 H new ATOM 0 HG23 ILE A 78 5.244 3.930 -0.913 1.00 50.51 H new ATOM 0 HD11 ILE A 78 5.176 7.544 -1.695 1.00 61.53 H new ATOM 0 HD12 ILE A 78 5.079 5.776 -1.874 1.00 61.53 H new ATOM 0 HD13 ILE A 78 4.009 6.615 -0.726 1.00 61.53 H new ATOM 1089 N TYR A 79 3.676 3.019 2.342 1.00 21.41 N ATOM 1090 CA TYR A 79 3.565 1.919 3.258 1.00 10.31 C ATOM 1091 C TYR A 79 4.189 0.661 2.699 1.00 61.43 C ATOM 1092 O TYR A 79 3.800 0.163 1.626 1.00 10.15 O ATOM 1093 CB TYR A 79 2.103 1.658 3.615 1.00 13.21 C ATOM 1094 CG TYR A 79 1.410 2.811 4.301 1.00 24.32 C ATOM 1095 CD1 TYR A 79 1.444 2.933 5.678 1.00 11.10 C ATOM 1096 CD2 TYR A 79 0.724 3.778 3.575 1.00 41.44 C ATOM 1097 CE1 TYR A 79 0.820 3.978 6.317 1.00 21.13 C ATOM 1098 CE2 TYR A 79 0.097 4.829 4.209 1.00 32.12 C ATOM 1099 CZ TYR A 79 0.150 4.923 5.582 1.00 62.41 C ATOM 1100 OH TYR A 79 -0.470 5.972 6.229 1.00 14.14 O ATOM 0 H TYR A 79 2.990 3.006 1.587 1.00 21.41 H new ATOM 0 HA TYR A 79 4.110 2.195 4.161 1.00 10.31 H new ATOM 0 HB2 TYR A 79 1.558 1.413 2.703 1.00 13.21 H new ATOM 0 HB3 TYR A 79 2.051 0.782 4.262 1.00 13.21 H new ATOM 0 HD1 TYR A 79 1.971 2.193 6.263 1.00 11.10 H new ATOM 0 HD2 TYR A 79 0.682 3.705 2.498 1.00 41.44 H new ATOM 0 HE1 TYR A 79 0.857 4.055 7.394 1.00 21.13 H new ATOM 0 HE2 TYR A 79 -0.432 5.574 3.633 1.00 32.12 H new ATOM 0 HH TYR A 79 -1.441 5.900 6.114 1.00 14.14 H new ATOM 1110 N TYR A 80 5.161 0.171 3.401 1.00 10.34 N ATOM 1111 CA TYR A 80 5.807 -1.063 3.081 1.00 43.50 C ATOM 1112 C TYR A 80 5.404 -2.104 4.091 1.00 74.20 C ATOM 1113 O TYR A 80 5.862 -2.071 5.238 1.00 33.33 O ATOM 1114 CB TYR A 80 7.325 -0.910 3.090 1.00 2.22 C ATOM 1115 CG TYR A 80 7.875 0.009 2.033 1.00 14.51 C ATOM 1116 CD1 TYR A 80 8.029 1.370 2.260 1.00 54.53 C ATOM 1117 CD2 TYR A 80 8.252 -0.492 0.811 1.00 34.54 C ATOM 1118 CE1 TYR A 80 8.546 2.196 1.282 1.00 4.40 C ATOM 1119 CE2 TYR A 80 8.768 0.316 -0.168 1.00 73.31 C ATOM 1120 CZ TYR A 80 8.915 1.659 0.068 1.00 11.02 C ATOM 1121 OH TYR A 80 9.418 2.468 -0.922 1.00 23.33 O ATOM 0 H TYR A 80 5.537 0.628 4.232 1.00 10.34 H new ATOM 0 HA TYR A 80 5.501 -1.366 2.080 1.00 43.50 H new ATOM 0 HB2 TYR A 80 7.633 -0.540 4.068 1.00 2.22 H new ATOM 0 HB3 TYR A 80 7.776 -1.895 2.965 1.00 2.22 H new ATOM 0 HD1 TYR A 80 7.741 1.788 3.213 1.00 54.53 H new ATOM 0 HD2 TYR A 80 8.139 -1.548 0.617 1.00 34.54 H new ATOM 0 HE1 TYR A 80 8.660 3.254 1.467 1.00 4.40 H new ATOM 0 HE2 TYR A 80 9.057 -0.103 -1.121 1.00 73.31 H new ATOM 0 HH TYR A 80 9.628 1.927 -1.712 1.00 23.33 H new ATOM 1131 N LEU A 81 4.529 -2.984 3.693 1.00 5.32 N ATOM 1132 CA LEU A 81 4.088 -4.056 4.556 1.00 71.04 C ATOM 1133 C LEU A 81 5.148 -5.131 4.553 1.00 53.11 C ATOM 1134 O LEU A 81 5.409 -5.748 3.506 1.00 22.42 O ATOM 1135 CB LEU A 81 2.752 -4.630 4.058 1.00 54.20 C ATOM 1136 CG LEU A 81 1.571 -3.651 3.991 1.00 12.35 C ATOM 1137 CD1 LEU A 81 0.360 -4.328 3.387 1.00 24.22 C ATOM 1138 CD2 LEU A 81 1.223 -3.134 5.371 1.00 64.54 C ATOM 0 H LEU A 81 4.100 -2.984 2.767 1.00 5.32 H new ATOM 0 HA LEU A 81 3.937 -3.679 5.568 1.00 71.04 H new ATOM 0 HB2 LEU A 81 2.908 -5.045 3.062 1.00 54.20 H new ATOM 0 HB3 LEU A 81 2.472 -5.459 4.709 1.00 54.20 H new ATOM 0 HG LEU A 81 1.866 -2.811 3.363 1.00 12.35 H new ATOM 0 HD11 LEU A 81 -0.469 -3.622 3.346 1.00 24.22 H new ATOM 0 HD12 LEU A 81 0.598 -4.667 2.379 1.00 24.22 H new ATOM 0 HD13 LEU A 81 0.078 -5.184 4.000 1.00 24.22 H new ATOM 0 HD21 LEU A 81 0.384 -2.442 5.299 1.00 64.54 H new ATOM 0 HD22 LEU A 81 0.950 -3.970 6.015 1.00 64.54 H new ATOM 0 HD23 LEU A 81 2.084 -2.617 5.794 1.00 64.54 H new ATOM 1146 N ILE A 82 5.783 -5.335 5.687 1.00 0.41 N ATOM 1147 CA ILE A 82 6.832 -6.309 5.777 1.00 22.31 C ATOM 1148 C ILE A 82 6.226 -7.674 6.013 1.00 21.45 C ATOM 1149 O ILE A 82 5.654 -7.957 7.082 1.00 53.43 O ATOM 1150 CB ILE A 82 7.858 -5.983 6.885 1.00 12.11 C ATOM 1151 CG1 ILE A 82 8.421 -4.553 6.717 1.00 3.05 C ATOM 1152 CG2 ILE A 82 8.993 -6.998 6.839 1.00 23.24 C ATOM 1153 CD1 ILE A 82 9.147 -4.302 5.403 1.00 22.42 C ATOM 0 H ILE A 82 5.586 -4.836 6.555 1.00 0.41 H new ATOM 0 HA ILE A 82 7.377 -6.294 4.833 1.00 22.31 H new ATOM 0 HB ILE A 82 7.356 -6.037 7.851 1.00 12.11 H new ATOM 0 HG12 ILE A 82 7.599 -3.842 6.803 1.00 3.05 H new ATOM 0 HG13 ILE A 82 9.107 -4.349 7.539 1.00 3.05 H new ATOM 0 HG21 ILE A 82 9.718 -6.769 7.620 1.00 23.24 H new ATOM 0 HG22 ILE A 82 8.592 -7.999 6.998 1.00 23.24 H new ATOM 0 HG23 ILE A 82 9.482 -6.953 5.866 1.00 23.24 H new ATOM 0 HD11 ILE A 82 9.506 -3.273 5.376 1.00 22.42 H new ATOM 0 HD12 ILE A 82 9.993 -4.984 5.319 1.00 22.42 H new ATOM 0 HD13 ILE A 82 8.462 -4.469 4.571 1.00 22.42 H new ATOM 1160 N THR A 83 6.337 -8.498 5.020 1.00 33.33 N ATOM 1161 CA THR A 83 5.740 -9.789 5.020 1.00 71.35 C ATOM 1162 C THR A 83 6.579 -10.843 5.741 1.00 64.31 C ATOM 1163 O THR A 83 6.412 -11.061 6.926 1.00 24.42 O ATOM 1164 CB THR A 83 5.419 -10.221 3.583 1.00 14.41 C ATOM 1165 OG1 THR A 83 6.607 -10.103 2.767 1.00 22.31 O ATOM 1166 CG2 THR A 83 4.315 -9.353 3.014 1.00 12.42 C ATOM 0 H THR A 83 6.857 -8.284 4.169 1.00 33.33 H new ATOM 0 HA THR A 83 4.813 -9.711 5.587 1.00 71.35 H new ATOM 0 HB THR A 83 5.084 -11.258 3.587 1.00 14.41 H new ATOM 0 HG1 THR A 83 6.694 -9.181 2.447 1.00 22.31 H new ATOM 0 HG21 THR A 83 4.094 -9.667 1.994 1.00 12.42 H new ATOM 0 HG22 THR A 83 3.419 -9.455 3.627 1.00 12.42 H new ATOM 0 HG23 THR A 83 4.636 -8.311 3.011 1.00 12.42 H new ATOM 1172 N LYS A 84 7.477 -11.457 5.031 1.00 31.04 N ATOM 1173 CA LYS A 84 8.328 -12.486 5.573 1.00 55.02 C ATOM 1174 C LYS A 84 9.732 -12.235 5.144 1.00 35.23 C ATOM 1175 O LYS A 84 9.975 -11.272 4.446 1.00 21.23 O ATOM 1176 CB LYS A 84 7.849 -13.891 5.193 1.00 74.53 C ATOM 1177 CG LYS A 84 6.513 -14.257 5.827 1.00 24.31 C ATOM 1178 CD LYS A 84 6.061 -15.654 5.460 1.00 70.51 C ATOM 1179 CE LYS A 84 7.044 -16.717 5.902 1.00 24.40 C ATOM 1180 NZ LYS A 84 6.568 -18.066 5.552 1.00 3.25 N ATOM 0 H LYS A 84 7.645 -11.258 4.045 1.00 31.04 H new ATOM 0 HA LYS A 84 8.281 -12.445 6.661 1.00 55.02 H new ATOM 0 HB2 LYS A 84 7.761 -13.958 4.109 1.00 74.53 H new ATOM 0 HB3 LYS A 84 8.601 -14.620 5.497 1.00 74.53 H new ATOM 0 HG2 LYS A 84 6.595 -14.178 6.911 1.00 24.31 H new ATOM 0 HG3 LYS A 84 5.756 -13.539 5.512 1.00 24.31 H new ATOM 0 HD2 LYS A 84 5.090 -15.850 5.916 1.00 70.51 H new ATOM 0 HD3 LYS A 84 5.925 -15.716 4.380 1.00 70.51 H new ATOM 0 HE2 LYS A 84 8.012 -16.538 5.433 1.00 24.40 H new ATOM 0 HE3 LYS A 84 7.194 -16.651 6.980 1.00 24.40 H new ATOM 0 HZ1 LYS A 84 7.371 -18.646 5.235 1.00 3.25 H new ATOM 0 HZ2 LYS A 84 6.130 -18.507 6.386 1.00 3.25 H new ATOM 0 HZ3 LYS A 84 5.866 -17.999 4.788 1.00 3.25 H new ATOM 1194 N LYS A 85 10.647 -13.091 5.529 1.00 11.25 N ATOM 1195 CA LYS A 85 12.059 -12.823 5.345 1.00 53.35 C ATOM 1196 C LYS A 85 12.482 -12.571 3.901 1.00 14.25 C ATOM 1197 O LYS A 85 13.126 -11.569 3.631 1.00 22.13 O ATOM 1198 CB LYS A 85 12.918 -13.890 6.024 1.00 44.13 C ATOM 1199 CG LYS A 85 14.416 -13.603 5.988 1.00 13.35 C ATOM 1200 CD LYS A 85 15.206 -14.607 6.815 1.00 21.44 C ATOM 1201 CE LYS A 85 14.818 -14.534 8.289 1.00 21.24 C ATOM 1202 NZ LYS A 85 15.608 -15.456 9.120 1.00 25.11 N ATOM 0 H LYS A 85 10.441 -13.985 5.975 1.00 11.25 H new ATOM 0 HA LYS A 85 12.239 -11.870 5.843 1.00 53.35 H new ATOM 0 HB2 LYS A 85 12.603 -13.987 7.063 1.00 44.13 H new ATOM 0 HB3 LYS A 85 12.732 -14.850 5.543 1.00 44.13 H new ATOM 0 HG2 LYS A 85 14.766 -13.628 4.956 1.00 13.35 H new ATOM 0 HG3 LYS A 85 14.602 -12.597 6.364 1.00 13.35 H new ATOM 0 HD2 LYS A 85 15.026 -15.614 6.438 1.00 21.44 H new ATOM 0 HD3 LYS A 85 16.273 -14.412 6.707 1.00 21.44 H new ATOM 0 HE2 LYS A 85 14.956 -13.515 8.649 1.00 21.24 H new ATOM 0 HE3 LYS A 85 13.759 -14.769 8.396 1.00 21.24 H new ATOM 0 HZ1 LYS A 85 15.309 -15.371 10.113 1.00 25.11 H new ATOM 0 HZ2 LYS A 85 15.457 -16.432 8.795 1.00 25.11 H new ATOM 0 HZ3 LYS A 85 16.617 -15.217 9.040 1.00 25.11 H new ATOM 1216 N ARG A 86 12.086 -13.414 2.961 1.00 34.15 N ATOM 1217 CA ARG A 86 12.521 -13.200 1.575 1.00 40.42 C ATOM 1218 C ARG A 86 11.416 -13.572 0.594 1.00 4.01 C ATOM 1219 O ARG A 86 10.412 -14.145 0.991 1.00 24.32 O ATOM 1220 CB ARG A 86 13.830 -13.952 1.237 1.00 34.12 C ATOM 1221 CG ARG A 86 14.985 -13.692 2.207 1.00 30.41 C ATOM 1222 CD ARG A 86 16.326 -14.088 1.627 1.00 10.42 C ATOM 1223 NE ARG A 86 16.735 -13.202 0.519 1.00 14.10 N ATOM 1224 CZ ARG A 86 17.376 -13.602 -0.584 1.00 11.24 C ATOM 1225 NH1 ARG A 86 17.645 -14.887 -0.781 1.00 61.31 N ATOM 1226 NH2 ARG A 86 17.752 -12.711 -1.486 1.00 33.12 N ATOM 0 H ARG A 86 11.487 -14.225 3.114 1.00 34.15 H new ATOM 0 HA ARG A 86 12.734 -12.136 1.476 1.00 40.42 H new ATOM 0 HB2 ARG A 86 13.624 -15.022 1.217 1.00 34.12 H new ATOM 0 HB3 ARG A 86 14.146 -13.670 0.233 1.00 34.12 H new ATOM 0 HG2 ARG A 86 15.004 -12.634 2.470 1.00 30.41 H new ATOM 0 HG3 ARG A 86 14.813 -14.247 3.129 1.00 30.41 H new ATOM 0 HD2 ARG A 86 17.082 -14.060 2.411 1.00 10.42 H new ATOM 0 HD3 ARG A 86 16.276 -15.116 1.269 1.00 10.42 H new ATOM 0 HE ARG A 86 16.512 -12.210 0.601 1.00 14.10 H new ATOM 0 HH11 ARG A 86 17.362 -15.579 -0.087 1.00 61.31 H new ATOM 0 HH12 ARG A 86 18.135 -15.182 -1.626 1.00 61.31 H new ATOM 0 HH21 ARG A 86 17.553 -11.721 -1.339 1.00 33.12 H new ATOM 0 HH22 ARG A 86 18.241 -13.013 -2.328 1.00 33.12 H new ATOM 1238 N ALA A 87 11.633 -13.266 -0.688 1.00 0.14 N ATOM 1239 CA ALA A 87 10.632 -13.470 -1.760 1.00 11.11 C ATOM 1240 C ALA A 87 10.371 -14.949 -2.051 1.00 3.24 C ATOM 1241 O ALA A 87 9.360 -15.309 -2.632 1.00 52.40 O ATOM 1242 CB ALA A 87 11.051 -12.731 -3.026 1.00 73.23 C ATOM 0 H ALA A 87 12.510 -12.867 -1.022 1.00 0.14 H new ATOM 0 HA ALA A 87 9.690 -13.054 -1.402 1.00 11.11 H new ATOM 0 HB1 ALA A 87 10.305 -12.891 -3.804 1.00 73.23 H new ATOM 0 HB2 ALA A 87 11.132 -11.665 -2.815 1.00 73.23 H new ATOM 0 HB3 ALA A 87 12.016 -13.108 -3.365 1.00 73.23 H new ATOM 1248 N SER A 88 11.301 -15.791 -1.660 1.00 60.25 N ATOM 1249 CA SER A 88 11.168 -17.228 -1.847 1.00 41.03 C ATOM 1250 C SER A 88 10.281 -17.836 -0.748 1.00 43.12 C ATOM 1251 O SER A 88 10.061 -19.049 -0.713 1.00 43.44 O ATOM 1252 CB SER A 88 12.564 -17.868 -1.829 1.00 15.12 C ATOM 1253 OG SER A 88 12.529 -19.277 -2.019 1.00 11.35 O ATOM 0 H SER A 88 12.169 -15.506 -1.205 1.00 60.25 H new ATOM 0 HA SER A 88 10.692 -17.425 -2.808 1.00 41.03 H new ATOM 0 HB2 SER A 88 13.175 -17.416 -2.610 1.00 15.12 H new ATOM 0 HB3 SER A 88 13.048 -17.647 -0.878 1.00 15.12 H new ATOM 0 HG SER A 88 11.714 -19.641 -1.614 1.00 11.35 H new ATOM 1259 N HIS A 89 9.777 -16.988 0.129 1.00 32.51 N ATOM 1260 CA HIS A 89 8.974 -17.420 1.253 1.00 43.32 C ATOM 1261 C HIS A 89 7.555 -16.955 1.010 1.00 30.33 C ATOM 1262 O HIS A 89 7.350 -15.814 0.605 1.00 54.40 O ATOM 1263 CB HIS A 89 9.486 -16.779 2.573 1.00 2.31 C ATOM 1264 CG HIS A 89 10.941 -17.038 2.916 1.00 4.31 C ATOM 1265 ND1 HIS A 89 12.040 -17.102 2.133 1.00 54.54 N flip ATOM 1266 CD2 HIS A 89 11.401 -17.154 4.201 1.00 75.40 C flip ATOM 1267 CE1 HIS A 89 13.120 -17.237 2.949 1.00 23.15 C flip ATOM 1268 NE2 HIS A 89 12.716 -17.262 4.186 1.00 74.01 N flip ATOM 0 H HIS A 89 9.914 -15.978 0.080 1.00 32.51 H new ATOM 0 HA HIS A 89 9.031 -18.504 1.347 1.00 43.32 H new ATOM 0 HB2 HIS A 89 9.333 -15.701 2.514 1.00 2.31 H new ATOM 0 HB3 HIS A 89 8.869 -17.144 3.394 1.00 2.31 H new ATOM 0 HD2 HIS A 89 10.784 -17.157 5.087 1.00 75.40 H new ATOM 0 HE1 HIS A 89 14.147 -17.311 2.623 1.00 23.15 H new ATOM 0 HE2 HIS A 89 13.316 -17.350 5.006 1.00 74.01 H new ATOM 1277 N LYS A 90 6.593 -17.807 1.252 1.00 41.24 N ATOM 1278 CA LYS A 90 5.207 -17.448 1.028 1.00 53.14 C ATOM 1279 C LYS A 90 4.630 -16.776 2.276 1.00 52.11 C ATOM 1280 O LYS A 90 4.617 -17.386 3.360 1.00 21.22 O ATOM 1281 CB LYS A 90 4.382 -18.694 0.687 1.00 53.13 C ATOM 1282 CG LYS A 90 2.914 -18.403 0.369 1.00 63.04 C ATOM 1283 CD LYS A 90 2.130 -19.678 0.095 1.00 71.51 C ATOM 1284 CE LYS A 90 2.057 -20.573 1.328 1.00 12.31 C ATOM 1285 NZ LYS A 90 1.335 -21.831 1.054 1.00 30.30 N ATOM 0 H LYS A 90 6.738 -18.754 1.604 1.00 41.24 H new ATOM 0 HA LYS A 90 5.161 -16.752 0.191 1.00 53.14 H new ATOM 0 HB2 LYS A 90 4.836 -19.194 -0.169 1.00 53.13 H new ATOM 0 HB3 LYS A 90 4.430 -19.389 1.525 1.00 53.13 H new ATOM 0 HG2 LYS A 90 2.460 -17.870 1.205 1.00 63.04 H new ATOM 0 HG3 LYS A 90 2.854 -17.746 -0.499 1.00 63.04 H new ATOM 0 HD2 LYS A 90 1.121 -19.422 -0.229 1.00 71.51 H new ATOM 0 HD3 LYS A 90 2.599 -20.224 -0.724 1.00 71.51 H new ATOM 0 HE2 LYS A 90 3.066 -20.801 1.671 1.00 12.31 H new ATOM 0 HE3 LYS A 90 1.559 -20.037 2.136 1.00 12.31 H new ATOM 0 HZ1 LYS A 90 1.308 -22.411 1.917 1.00 30.30 H new ATOM 0 HZ2 LYS A 90 0.364 -21.615 0.751 1.00 30.30 H new ATOM 0 HZ3 LYS A 90 1.824 -22.355 0.300 1.00 30.30 H new ATOM 1299 N PRO A 91 4.195 -15.508 2.158 1.00 21.15 N ATOM 1300 CA PRO A 91 3.564 -14.771 3.257 1.00 3.42 C ATOM 1301 C PRO A 91 2.244 -15.397 3.682 1.00 24.10 C ATOM 1302 O PRO A 91 1.526 -15.972 2.868 1.00 70.42 O ATOM 1303 CB PRO A 91 3.302 -13.375 2.666 1.00 4.12 C ATOM 1304 CG PRO A 91 4.174 -13.287 1.466 1.00 2.04 C ATOM 1305 CD PRO A 91 4.302 -14.684 0.943 1.00 13.24 C ATOM 0 HA PRO A 91 4.196 -14.764 4.145 1.00 3.42 H new ATOM 0 HB2 PRO A 91 2.252 -13.252 2.399 1.00 4.12 H new ATOM 0 HB3 PRO A 91 3.542 -12.592 3.385 1.00 4.12 H new ATOM 0 HG2 PRO A 91 3.738 -12.628 0.715 1.00 2.04 H new ATOM 0 HG3 PRO A 91 5.150 -12.876 1.723 1.00 2.04 H new ATOM 0 HD2 PRO A 91 3.515 -14.919 0.226 1.00 13.24 H new ATOM 0 HD3 PRO A 91 5.254 -14.838 0.434 1.00 13.24 H new ATOM 1313 N THR A 92 1.942 -15.308 4.946 1.00 3.04 N ATOM 1314 CA THR A 92 0.719 -15.780 5.449 1.00 24.22 C ATOM 1315 C THR A 92 -0.268 -14.615 5.536 1.00 24.45 C ATOM 1316 O THR A 92 0.147 -13.442 5.640 1.00 1.12 O ATOM 1317 CB THR A 92 0.968 -16.368 6.831 1.00 31.25 C ATOM 1318 OG1 THR A 92 1.725 -15.423 7.602 1.00 44.11 O ATOM 1319 CG2 THR A 92 1.737 -17.674 6.736 1.00 50.02 C ATOM 0 H THR A 92 2.556 -14.898 5.650 1.00 3.04 H new ATOM 0 HA THR A 92 0.300 -16.546 4.796 1.00 24.22 H new ATOM 0 HB THR A 92 0.009 -16.571 7.308 1.00 31.25 H new ATOM 0 HG1 THR A 92 1.891 -15.789 8.496 1.00 44.11 H new ATOM 0 HG21 THR A 92 1.902 -18.073 7.737 1.00 50.02 H new ATOM 0 HG22 THR A 92 1.164 -18.392 6.149 1.00 50.02 H new ATOM 0 HG23 THR A 92 2.698 -17.496 6.254 1.00 50.02 H new ATOM 1325 N TYR A 93 -1.547 -14.915 5.507 1.00 70.14 N ATOM 1326 CA TYR A 93 -2.561 -13.872 5.547 1.00 13.34 C ATOM 1327 C TYR A 93 -2.642 -13.226 6.914 1.00 65.41 C ATOM 1328 O TYR A 93 -2.844 -12.032 7.019 1.00 64.04 O ATOM 1329 CB TYR A 93 -3.919 -14.392 5.115 1.00 21.34 C ATOM 1330 CG TYR A 93 -3.975 -14.870 3.686 1.00 64.04 C ATOM 1331 CD1 TYR A 93 -3.641 -16.171 3.353 1.00 44.41 C ATOM 1332 CD2 TYR A 93 -4.369 -14.018 2.672 1.00 4.03 C ATOM 1333 CE1 TYR A 93 -3.697 -16.610 2.050 1.00 44.55 C ATOM 1334 CE2 TYR A 93 -4.430 -14.451 1.370 1.00 43.32 C ATOM 1335 CZ TYR A 93 -4.095 -15.743 1.063 1.00 45.45 C ATOM 1336 OH TYR A 93 -4.168 -16.173 -0.233 1.00 14.32 O ATOM 0 H TYR A 93 -1.914 -15.865 5.456 1.00 70.14 H new ATOM 0 HA TYR A 93 -2.256 -13.107 4.833 1.00 13.34 H new ATOM 0 HB2 TYR A 93 -4.206 -15.213 5.772 1.00 21.34 H new ATOM 0 HB3 TYR A 93 -4.657 -13.602 5.251 1.00 21.34 H new ATOM 0 HD1 TYR A 93 -3.331 -16.854 4.130 1.00 44.41 H new ATOM 0 HD2 TYR A 93 -4.633 -12.997 2.907 1.00 4.03 H new ATOM 0 HE1 TYR A 93 -3.430 -17.628 1.806 1.00 44.55 H new ATOM 0 HE2 TYR A 93 -4.742 -13.773 0.589 1.00 43.32 H new ATOM 0 HH TYR A 93 -3.700 -17.030 -0.320 1.00 14.32 H new ATOM 1346 N GLU A 94 -2.453 -14.016 7.949 1.00 31.31 N ATOM 1347 CA GLU A 94 -2.485 -13.519 9.315 1.00 73.24 C ATOM 1348 C GLU A 94 -1.402 -12.467 9.534 1.00 35.42 C ATOM 1349 O GLU A 94 -1.667 -11.385 10.052 1.00 62.43 O ATOM 1350 CB GLU A 94 -2.312 -14.664 10.298 1.00 14.42 C ATOM 1351 CG GLU A 94 -2.221 -14.223 11.742 1.00 52.42 C ATOM 1352 CD GLU A 94 -1.920 -15.356 12.664 1.00 63.21 C ATOM 1353 OE1 GLU A 94 -0.749 -15.785 12.722 1.00 24.23 O ATOM 1354 OE2 GLU A 94 -2.834 -15.813 13.375 1.00 32.35 O ATOM 0 H GLU A 94 -2.273 -15.017 7.872 1.00 31.31 H new ATOM 0 HA GLU A 94 -3.455 -13.053 9.486 1.00 73.24 H new ATOM 0 HB2 GLU A 94 -3.151 -15.352 10.191 1.00 14.42 H new ATOM 0 HB3 GLU A 94 -1.410 -15.218 10.040 1.00 14.42 H new ATOM 0 HG2 GLU A 94 -1.445 -13.463 11.839 1.00 52.42 H new ATOM 0 HG3 GLU A 94 -3.162 -13.758 12.037 1.00 52.42 H new ATOM 1361 N ASN A 95 -0.192 -12.788 9.123 1.00 45.02 N ATOM 1362 CA ASN A 95 0.928 -11.866 9.244 1.00 42.43 C ATOM 1363 C ASN A 95 0.698 -10.623 8.384 1.00 43.52 C ATOM 1364 O ASN A 95 1.062 -9.512 8.769 1.00 11.45 O ATOM 1365 CB ASN A 95 2.239 -12.571 8.879 1.00 32.02 C ATOM 1366 CG ASN A 95 3.451 -11.663 8.914 1.00 32.44 C ATOM 1367 OD1 ASN A 95 4.092 -11.493 9.949 1.00 32.23 O ATOM 1368 ND2 ASN A 95 3.781 -11.096 7.789 1.00 53.44 N ATOM 0 H ASN A 95 0.045 -13.685 8.699 1.00 45.02 H new ATOM 0 HA ASN A 95 1.004 -11.537 10.280 1.00 42.43 H new ATOM 0 HB2 ASN A 95 2.398 -13.401 9.567 1.00 32.02 H new ATOM 0 HB3 ASN A 95 2.145 -12.998 7.881 1.00 32.02 H new ATOM 0 HD21 ASN A 95 4.597 -10.486 7.746 1.00 53.44 H new ATOM 0 HD22 ASN A 95 3.223 -11.262 6.951 1.00 53.44 H new ATOM 1374 N LEU A 96 0.066 -10.813 7.232 1.00 10.42 N ATOM 1375 CA LEU A 96 -0.271 -9.699 6.360 1.00 53.45 C ATOM 1376 C LEU A 96 -1.324 -8.808 7.030 1.00 13.21 C ATOM 1377 O LEU A 96 -1.240 -7.578 6.979 1.00 74.43 O ATOM 1378 CB LEU A 96 -0.773 -10.202 4.999 1.00 52.45 C ATOM 1379 CG LEU A 96 -1.141 -9.123 3.973 1.00 61.02 C ATOM 1380 CD1 LEU A 96 0.065 -8.255 3.649 1.00 61.21 C ATOM 1381 CD2 LEU A 96 -1.698 -9.754 2.709 1.00 0.15 C ATOM 0 H LEU A 96 -0.222 -11.727 6.882 1.00 10.42 H new ATOM 0 HA LEU A 96 0.629 -9.109 6.187 1.00 53.45 H new ATOM 0 HB2 LEU A 96 -0.004 -10.840 4.564 1.00 52.45 H new ATOM 0 HB3 LEU A 96 -1.649 -10.828 5.167 1.00 52.45 H new ATOM 0 HG LEU A 96 -1.912 -8.488 4.409 1.00 61.02 H new ATOM 0 HD11 LEU A 96 -0.218 -7.496 2.919 1.00 61.21 H new ATOM 0 HD12 LEU A 96 0.419 -7.770 4.559 1.00 61.21 H new ATOM 0 HD13 LEU A 96 0.860 -8.876 3.236 1.00 61.21 H new ATOM 0 HD21 LEU A 96 -1.953 -8.972 1.994 1.00 0.15 H new ATOM 0 HD22 LEU A 96 -0.950 -10.415 2.272 1.00 0.15 H new ATOM 0 HD23 LEU A 96 -2.592 -10.328 2.952 1.00 0.15 H new ATOM 1389 N GLN A 97 -2.299 -9.437 7.670 1.00 21.34 N ATOM 1390 CA GLN A 97 -3.344 -8.741 8.407 1.00 51.20 C ATOM 1391 C GLN A 97 -2.714 -7.841 9.464 1.00 41.13 C ATOM 1392 O GLN A 97 -3.108 -6.687 9.619 1.00 41.41 O ATOM 1393 CB GLN A 97 -4.269 -9.755 9.072 1.00 3.45 C ATOM 1394 CG GLN A 97 -5.420 -9.151 9.851 1.00 75.43 C ATOM 1395 CD GLN A 97 -6.243 -10.208 10.550 1.00 42.43 C ATOM 1396 OE1 GLN A 97 -5.726 -11.265 10.931 1.00 11.24 O ATOM 1397 NE2 GLN A 97 -7.508 -9.949 10.745 1.00 44.32 N ATOM 0 H GLN A 97 -2.388 -10.453 7.693 1.00 21.34 H new ATOM 0 HA GLN A 97 -3.925 -8.129 7.717 1.00 51.20 H new ATOM 0 HB2 GLN A 97 -4.675 -10.414 8.304 1.00 3.45 H new ATOM 0 HB3 GLN A 97 -3.679 -10.376 9.746 1.00 3.45 H new ATOM 0 HG2 GLN A 97 -5.031 -8.448 10.587 1.00 75.43 H new ATOM 0 HG3 GLN A 97 -6.058 -8.583 9.174 1.00 75.43 H new ATOM 0 HE21 GLN A 97 -7.904 -9.068 10.419 1.00 44.32 H new ATOM 0 HE22 GLN A 97 -8.100 -10.628 11.224 1.00 44.32 H new ATOM 1405 N LYS A 98 -1.700 -8.378 10.152 1.00 4.44 N ATOM 1406 CA LYS A 98 -0.968 -7.641 11.186 1.00 41.02 C ATOM 1407 C LYS A 98 -0.420 -6.331 10.630 1.00 71.54 C ATOM 1408 O LYS A 98 -0.535 -5.268 11.262 1.00 71.32 O ATOM 1409 CB LYS A 98 0.207 -8.475 11.715 1.00 41.23 C ATOM 1410 CG LYS A 98 -0.170 -9.811 12.329 1.00 52.44 C ATOM 1411 CD LYS A 98 -1.081 -9.650 13.525 1.00 43.32 C ATOM 1412 CE LYS A 98 -1.398 -10.996 14.156 1.00 73.45 C ATOM 1413 NZ LYS A 98 -2.291 -10.860 15.322 1.00 51.02 N ATOM 0 H LYS A 98 -1.366 -9.331 10.008 1.00 4.44 H new ATOM 0 HA LYS A 98 -1.667 -7.432 11.996 1.00 41.02 H new ATOM 0 HB2 LYS A 98 0.902 -8.654 10.895 1.00 41.23 H new ATOM 0 HB3 LYS A 98 0.740 -7.888 12.463 1.00 41.23 H new ATOM 0 HG2 LYS A 98 -0.664 -10.428 11.578 1.00 52.44 H new ATOM 0 HG3 LYS A 98 0.735 -10.339 12.631 1.00 52.44 H new ATOM 0 HD2 LYS A 98 -0.607 -9.002 14.262 1.00 43.32 H new ATOM 0 HD3 LYS A 98 -2.006 -9.162 13.218 1.00 43.32 H new ATOM 0 HE2 LYS A 98 -1.865 -11.644 13.414 1.00 73.45 H new ATOM 0 HE3 LYS A 98 -0.471 -11.480 14.463 1.00 73.45 H new ATOM 0 HZ1 LYS A 98 -2.483 -11.800 15.724 1.00 51.02 H new ATOM 0 HZ2 LYS A 98 -1.835 -10.263 16.041 1.00 51.02 H new ATOM 0 HZ3 LYS A 98 -3.186 -10.421 15.025 1.00 51.02 H new ATOM 1427 N SER A 99 0.153 -6.405 9.436 1.00 34.31 N ATOM 1428 CA SER A 99 0.724 -5.247 8.804 1.00 41.25 C ATOM 1429 C SER A 99 -0.378 -4.281 8.281 1.00 42.02 C ATOM 1430 O SER A 99 -0.200 -3.055 8.292 1.00 4.04 O ATOM 1431 CB SER A 99 1.747 -5.671 7.710 1.00 21.12 C ATOM 1432 OG SER A 99 1.167 -6.512 6.724 1.00 14.42 O ATOM 0 H SER A 99 0.229 -7.264 8.892 1.00 34.31 H new ATOM 0 HA SER A 99 1.281 -4.679 9.549 1.00 41.25 H new ATOM 0 HB2 SER A 99 2.153 -4.780 7.231 1.00 21.12 H new ATOM 0 HB3 SER A 99 2.583 -6.189 8.179 1.00 21.12 H new ATOM 0 HG SER A 99 0.201 -6.576 6.876 1.00 14.42 H new ATOM 1438 N LEU A 100 -1.535 -4.837 7.878 1.00 34.21 N ATOM 1439 CA LEU A 100 -2.666 -4.022 7.387 1.00 72.35 C ATOM 1440 C LEU A 100 -3.207 -3.151 8.513 1.00 34.33 C ATOM 1441 O LEU A 100 -3.573 -1.981 8.308 1.00 50.54 O ATOM 1442 CB LEU A 100 -3.812 -4.914 6.861 1.00 53.00 C ATOM 1443 CG LEU A 100 -3.501 -5.857 5.692 1.00 44.51 C ATOM 1444 CD1 LEU A 100 -4.728 -6.679 5.342 1.00 73.33 C ATOM 1445 CD2 LEU A 100 -3.033 -5.081 4.476 1.00 75.23 C ATOM 0 H LEU A 100 -1.713 -5.841 7.882 1.00 34.21 H new ATOM 0 HA LEU A 100 -2.296 -3.401 6.572 1.00 72.35 H new ATOM 0 HB2 LEU A 100 -4.175 -5.518 7.692 1.00 53.00 H new ATOM 0 HB3 LEU A 100 -4.632 -4.263 6.558 1.00 53.00 H new ATOM 0 HG LEU A 100 -2.698 -6.526 6.001 1.00 44.51 H new ATOM 0 HD11 LEU A 100 -4.495 -7.345 4.511 1.00 73.33 H new ATOM 0 HD12 LEU A 100 -5.029 -7.270 6.207 1.00 73.33 H new ATOM 0 HD13 LEU A 100 -5.543 -6.013 5.056 1.00 73.33 H new ATOM 0 HD21 LEU A 100 -2.819 -5.774 3.662 1.00 75.23 H new ATOM 0 HD22 LEU A 100 -3.813 -4.386 4.166 1.00 75.23 H new ATOM 0 HD23 LEU A 100 -2.129 -4.524 4.725 1.00 75.23 H new ATOM 1453 N GLU A 101 -3.223 -3.725 9.705 1.00 63.43 N ATOM 1454 CA GLU A 101 -3.741 -3.048 10.908 1.00 75.05 C ATOM 1455 C GLU A 101 -2.885 -1.848 11.242 1.00 52.04 C ATOM 1456 O GLU A 101 -3.375 -0.807 11.699 1.00 14.22 O ATOM 1457 CB GLU A 101 -3.747 -3.979 12.115 1.00 23.34 C ATOM 1458 CG GLU A 101 -4.597 -5.222 11.987 1.00 64.14 C ATOM 1459 CD GLU A 101 -4.553 -6.053 13.248 1.00 10.43 C ATOM 1460 OE1 GLU A 101 -3.553 -6.756 13.473 1.00 75.24 O ATOM 1461 OE2 GLU A 101 -5.519 -5.997 14.056 1.00 1.13 O ATOM 0 H GLU A 101 -2.881 -4.670 9.878 1.00 63.43 H new ATOM 0 HA GLU A 101 -4.763 -2.739 10.688 1.00 75.05 H new ATOM 0 HB2 GLU A 101 -2.721 -4.284 12.319 1.00 23.34 H new ATOM 0 HB3 GLU A 101 -4.091 -3.415 12.982 1.00 23.34 H new ATOM 0 HG2 GLU A 101 -5.627 -4.939 11.772 1.00 64.14 H new ATOM 0 HG3 GLU A 101 -4.247 -5.818 11.144 1.00 64.14 H new ATOM 1468 N ALA A 102 -1.610 -1.987 10.999 1.00 15.55 N ATOM 1469 CA ALA A 102 -0.673 -0.942 11.277 1.00 3.13 C ATOM 1470 C ALA A 102 -0.884 0.244 10.335 1.00 74.31 C ATOM 1471 O ALA A 102 -0.678 1.399 10.723 1.00 4.33 O ATOM 1472 CB ALA A 102 0.745 -1.474 11.199 1.00 41.12 C ATOM 0 H ALA A 102 -1.195 -2.830 10.602 1.00 15.55 H new ATOM 0 HA ALA A 102 -0.841 -0.582 12.292 1.00 3.13 H new ATOM 0 HB1 ALA A 102 1.448 -0.669 11.413 1.00 41.12 H new ATOM 0 HB2 ALA A 102 0.875 -2.272 11.930 1.00 41.12 H new ATOM 0 HB3 ALA A 102 0.933 -1.864 10.199 1.00 41.12 H new ATOM 1478 N MET A 103 -1.332 -0.036 9.110 1.00 51.11 N ATOM 1479 CA MET A 103 -1.582 1.030 8.150 1.00 42.53 C ATOM 1480 C MET A 103 -2.768 1.871 8.551 1.00 13.34 C ATOM 1481 O MET A 103 -2.671 3.098 8.570 1.00 4.24 O ATOM 1482 CB MET A 103 -1.761 0.532 6.715 1.00 21.14 C ATOM 1483 CG MET A 103 -0.544 -0.129 6.120 1.00 11.42 C ATOM 1484 SD MET A 103 -0.714 -0.438 4.342 1.00 53.31 S ATOM 1485 CE MET A 103 -2.148 -1.499 4.273 1.00 51.42 C ATOM 0 H MET A 103 -1.525 -0.977 8.767 1.00 51.11 H new ATOM 0 HA MET A 103 -0.682 1.645 8.166 1.00 42.53 H new ATOM 0 HB2 MET A 103 -2.590 -0.176 6.691 1.00 21.14 H new ATOM 0 HB3 MET A 103 -2.044 1.375 6.085 1.00 21.14 H new ATOM 0 HG2 MET A 103 0.328 0.502 6.293 1.00 11.42 H new ATOM 0 HG3 MET A 103 -0.361 -1.073 6.633 1.00 11.42 H new ATOM 0 HE1 MET A 103 -2.165 -2.027 3.319 1.00 51.42 H new ATOM 0 HE2 MET A 103 -2.105 -2.222 5.087 1.00 51.42 H new ATOM 0 HE3 MET A 103 -3.051 -0.897 4.370 1.00 51.42 H new ATOM 1495 N LYS A 104 -3.888 1.225 8.892 1.00 5.33 N ATOM 1496 CA LYS A 104 -5.094 1.958 9.279 1.00 14.21 C ATOM 1497 C LYS A 104 -4.841 2.832 10.497 1.00 52.11 C ATOM 1498 O LYS A 104 -5.254 3.995 10.535 1.00 2.01 O ATOM 1499 CB LYS A 104 -6.285 1.033 9.521 1.00 1.11 C ATOM 1500 CG LYS A 104 -6.122 0.045 10.655 1.00 31.43 C ATOM 1501 CD LYS A 104 -7.415 -0.670 10.959 1.00 40.05 C ATOM 1502 CE LYS A 104 -8.505 0.334 11.243 1.00 21.14 C ATOM 1503 NZ LYS A 104 -9.743 -0.308 11.743 1.00 14.54 N ATOM 0 H LYS A 104 -3.983 0.210 8.908 1.00 5.33 H new ATOM 0 HA LYS A 104 -5.349 2.602 8.437 1.00 14.21 H new ATOM 0 HB2 LYS A 104 -7.164 1.646 9.720 1.00 1.11 H new ATOM 0 HB3 LYS A 104 -6.484 0.478 8.604 1.00 1.11 H new ATOM 0 HG2 LYS A 104 -5.355 -0.684 10.395 1.00 31.43 H new ATOM 0 HG3 LYS A 104 -5.776 0.568 11.547 1.00 31.43 H new ATOM 0 HD2 LYS A 104 -7.699 -1.299 10.115 1.00 40.05 H new ATOM 0 HD3 LYS A 104 -7.283 -1.329 11.818 1.00 40.05 H new ATOM 0 HE2 LYS A 104 -8.149 1.055 11.979 1.00 21.14 H new ATOM 0 HE3 LYS A 104 -8.729 0.891 10.333 1.00 21.14 H new ATOM 0 HZ1 LYS A 104 -10.463 0.420 11.924 1.00 14.54 H new ATOM 0 HZ2 LYS A 104 -10.099 -0.977 11.031 1.00 14.54 H new ATOM 0 HZ3 LYS A 104 -9.537 -0.818 12.625 1.00 14.54 H new ATOM 1517 N SER A 105 -4.140 2.270 11.464 1.00 71.43 N ATOM 1518 CA SER A 105 -3.777 2.967 12.679 1.00 43.33 C ATOM 1519 C SER A 105 -2.962 4.242 12.376 1.00 4.02 C ATOM 1520 O SER A 105 -3.191 5.296 12.972 1.00 23.25 O ATOM 1521 CB SER A 105 -2.992 2.024 13.588 1.00 4.20 C ATOM 1522 OG SER A 105 -3.746 0.843 13.859 1.00 53.24 O ATOM 0 H SER A 105 -3.804 1.308 11.426 1.00 71.43 H new ATOM 0 HA SER A 105 -4.689 3.282 13.187 1.00 43.33 H new ATOM 0 HB2 SER A 105 -2.047 1.758 13.115 1.00 4.20 H new ATOM 0 HB3 SER A 105 -2.750 2.530 14.523 1.00 4.20 H new ATOM 0 HG SER A 105 -3.538 0.161 13.187 1.00 53.24 H new ATOM 1528 N HIS A 106 -2.028 4.147 11.439 1.00 14.22 N ATOM 1529 CA HIS A 106 -1.215 5.302 11.074 1.00 33.44 C ATOM 1530 C HIS A 106 -2.027 6.325 10.270 1.00 24.12 C ATOM 1531 O HIS A 106 -1.933 7.535 10.516 1.00 4.23 O ATOM 1532 CB HIS A 106 0.045 4.884 10.283 1.00 74.55 C ATOM 1533 CG HIS A 106 0.862 6.058 9.801 1.00 51.43 C ATOM 1534 ND1 HIS A 106 0.711 6.605 8.550 1.00 12.41 N ATOM 1535 CD2 HIS A 106 1.795 6.808 10.419 1.00 12.21 C ATOM 1536 CE1 HIS A 106 1.495 7.633 8.423 1.00 52.32 C ATOM 1537 NE2 HIS A 106 2.171 7.785 9.536 1.00 41.12 N ATOM 0 H HIS A 106 -1.815 3.294 10.923 1.00 14.22 H new ATOM 0 HA HIS A 106 -0.894 5.770 12.005 1.00 33.44 H new ATOM 0 HB2 HIS A 106 0.668 4.251 10.914 1.00 74.55 H new ATOM 0 HB3 HIS A 106 -0.256 4.282 9.425 1.00 74.55 H new ATOM 0 HD1 HIS A 106 0.079 6.257 7.829 1.00 12.41 H new ATOM 0 HD2 HIS A 106 2.174 6.666 11.420 1.00 12.21 H new ATOM 0 HE1 HIS A 106 1.576 8.258 7.546 1.00 52.32 H new ATOM 1546 N CYS A 107 -2.804 5.838 9.317 1.00 35.01 N ATOM 1547 CA CYS A 107 -3.575 6.702 8.436 1.00 73.20 C ATOM 1548 C CYS A 107 -4.524 7.603 9.211 1.00 61.43 C ATOM 1549 O CYS A 107 -4.454 8.823 9.088 1.00 50.44 O ATOM 1550 CB CYS A 107 -4.336 5.887 7.398 1.00 64.31 C ATOM 1551 SG CYS A 107 -3.291 4.897 6.312 1.00 53.12 S ATOM 0 H CYS A 107 -2.918 4.841 9.132 1.00 35.01 H new ATOM 0 HA CYS A 107 -2.864 7.344 7.917 1.00 73.20 H new ATOM 0 HB2 CYS A 107 -5.032 5.226 7.913 1.00 64.31 H new ATOM 0 HB3 CYS A 107 -4.933 6.565 6.788 1.00 64.31 H new ATOM 0 HG CYS A 107 -2.795 3.898 6.980 1.00 53.12 H new ATOM 1557 N LEU A 108 -5.362 7.004 10.042 1.00 53.20 N ATOM 1558 CA LEU A 108 -6.360 7.754 10.808 1.00 52.32 C ATOM 1559 C LEU A 108 -5.701 8.766 11.738 1.00 74.32 C ATOM 1560 O LEU A 108 -6.201 9.871 11.925 1.00 42.03 O ATOM 1561 CB LEU A 108 -7.237 6.801 11.617 1.00 52.51 C ATOM 1562 CG LEU A 108 -8.012 5.757 10.817 1.00 1.43 C ATOM 1563 CD1 LEU A 108 -8.827 4.882 11.745 1.00 53.43 C ATOM 1564 CD2 LEU A 108 -8.906 6.421 9.781 1.00 41.51 C ATOM 0 H LEU A 108 -5.375 5.998 10.208 1.00 53.20 H new ATOM 0 HA LEU A 108 -6.982 8.298 10.097 1.00 52.32 H new ATOM 0 HB2 LEU A 108 -6.605 6.281 12.337 1.00 52.51 H new ATOM 0 HB3 LEU A 108 -7.951 7.394 12.189 1.00 52.51 H new ATOM 0 HG LEU A 108 -7.295 5.129 10.289 1.00 1.43 H new ATOM 0 HD11 LEU A 108 -9.374 4.142 11.160 1.00 53.43 H new ATOM 0 HD12 LEU A 108 -8.162 4.373 12.443 1.00 53.43 H new ATOM 0 HD13 LEU A 108 -9.533 5.499 12.301 1.00 53.43 H new ATOM 0 HD21 LEU A 108 -9.448 5.656 9.224 1.00 41.51 H new ATOM 0 HD22 LEU A 108 -9.618 7.078 10.282 1.00 41.51 H new ATOM 0 HD23 LEU A 108 -8.294 7.006 9.094 1.00 41.51 H new ATOM 1572 N LYS A 109 -4.567 8.383 12.286 1.00 14.52 N ATOM 1573 CA LYS A 109 -3.820 9.211 13.213 1.00 71.42 C ATOM 1574 C LYS A 109 -3.340 10.505 12.536 1.00 44.42 C ATOM 1575 O LYS A 109 -3.453 11.593 13.094 1.00 63.03 O ATOM 1576 CB LYS A 109 -2.619 8.415 13.723 1.00 45.11 C ATOM 1577 CG LYS A 109 -1.773 9.111 14.769 1.00 15.31 C ATOM 1578 CD LYS A 109 -2.551 9.363 16.047 1.00 41.54 C ATOM 1579 CE LYS A 109 -1.658 9.960 17.119 1.00 20.43 C ATOM 1580 NZ LYS A 109 -0.524 9.065 17.455 1.00 14.13 N ATOM 0 H LYS A 109 -4.132 7.479 12.099 1.00 14.52 H new ATOM 0 HA LYS A 109 -4.469 9.489 14.043 1.00 71.42 H new ATOM 0 HB2 LYS A 109 -2.979 7.474 14.139 1.00 45.11 H new ATOM 0 HB3 LYS A 109 -1.983 8.165 12.874 1.00 45.11 H new ATOM 0 HG2 LYS A 109 -0.896 8.502 14.991 1.00 15.31 H new ATOM 0 HG3 LYS A 109 -1.410 10.059 14.371 1.00 15.31 H new ATOM 0 HD2 LYS A 109 -3.382 10.038 15.844 1.00 41.54 H new ATOM 0 HD3 LYS A 109 -2.980 8.428 16.406 1.00 41.54 H new ATOM 0 HE2 LYS A 109 -1.273 10.921 16.777 1.00 20.43 H new ATOM 0 HE3 LYS A 109 -2.247 10.153 18.016 1.00 20.43 H new ATOM 0 HZ1 LYS A 109 -0.133 9.333 18.381 1.00 14.13 H new ATOM 0 HZ2 LYS A 109 -0.858 8.081 17.492 1.00 14.13 H new ATOM 0 HZ3 LYS A 109 0.215 9.153 16.728 1.00 14.13 H new ATOM 1594 N ASN A 110 -2.824 10.378 11.327 1.00 41.41 N ATOM 1595 CA ASN A 110 -2.264 11.535 10.609 1.00 2.12 C ATOM 1596 C ASN A 110 -3.318 12.264 9.795 1.00 24.00 C ATOM 1597 O ASN A 110 -3.109 13.398 9.368 1.00 14.43 O ATOM 1598 CB ASN A 110 -1.090 11.131 9.690 1.00 62.21 C ATOM 1599 CG ASN A 110 0.181 10.680 10.419 1.00 61.40 C ATOM 1600 OD1 ASN A 110 1.286 10.869 9.916 1.00 50.34 O ATOM 1601 ND2 ASN A 110 0.042 10.085 11.577 1.00 73.21 N ATOM 0 H ASN A 110 -2.776 9.497 10.815 1.00 41.41 H new ATOM 0 HA ASN A 110 -1.889 12.212 11.377 1.00 2.12 H new ATOM 0 HB2 ASN A 110 -1.421 10.324 9.037 1.00 62.21 H new ATOM 0 HB3 ASN A 110 -0.842 11.978 9.050 1.00 62.21 H new ATOM 0 HD21 ASN A 110 0.865 9.764 12.087 1.00 73.21 H new ATOM 0 HD22 ASN A 110 -0.889 9.943 11.969 1.00 73.21 H new ATOM 1607 N GLY A 111 -4.443 11.625 9.591 1.00 3.02 N ATOM 1608 CA GLY A 111 -5.487 12.224 8.793 1.00 55.14 C ATOM 1609 C GLY A 111 -5.360 11.827 7.342 1.00 71.13 C ATOM 1610 O GLY A 111 -5.784 12.549 6.441 1.00 71.15 O ATOM 0 H GLY A 111 -4.660 10.700 9.961 1.00 3.02 H new ATOM 0 HA2 GLY A 111 -6.461 11.916 9.173 1.00 55.14 H new ATOM 0 HA3 GLY A 111 -5.439 13.309 8.882 1.00 55.14 H new ATOM 1614 N VAL A 112 -4.766 10.684 7.124 1.00 33.22 N ATOM 1615 CA VAL A 112 -4.586 10.158 5.805 1.00 11.44 C ATOM 1616 C VAL A 112 -5.802 9.320 5.454 1.00 62.42 C ATOM 1617 O VAL A 112 -5.956 8.187 5.908 1.00 71.24 O ATOM 1618 CB VAL A 112 -3.269 9.332 5.681 1.00 25.15 C ATOM 1619 CG1 VAL A 112 -3.096 8.781 4.274 1.00 4.54 C ATOM 1620 CG2 VAL A 112 -2.082 10.209 6.047 1.00 13.52 C ATOM 0 H VAL A 112 -4.392 10.091 7.865 1.00 33.22 H new ATOM 0 HA VAL A 112 -4.491 10.983 5.099 1.00 11.44 H new ATOM 0 HB VAL A 112 -3.326 8.487 6.368 1.00 25.15 H new ATOM 0 HG11 VAL A 112 -2.169 8.210 4.218 1.00 4.54 H new ATOM 0 HG12 VAL A 112 -3.937 8.132 4.031 1.00 4.54 H new ATOM 0 HG13 VAL A 112 -3.057 9.606 3.562 1.00 4.54 H new ATOM 0 HG21 VAL A 112 -1.162 9.631 5.960 1.00 13.52 H new ATOM 0 HG22 VAL A 112 -2.039 11.063 5.372 1.00 13.52 H new ATOM 0 HG23 VAL A 112 -2.193 10.562 7.072 1.00 13.52 H new ATOM 1626 N THR A 113 -6.671 9.913 4.702 1.00 11.11 N ATOM 1627 CA THR A 113 -7.916 9.321 4.317 1.00 44.54 C ATOM 1628 C THR A 113 -7.854 8.784 2.897 1.00 60.44 C ATOM 1629 O THR A 113 -8.866 8.414 2.326 1.00 45.01 O ATOM 1630 CB THR A 113 -9.027 10.384 4.410 1.00 23.01 C ATOM 1631 OG1 THR A 113 -8.615 11.576 3.695 1.00 3.33 O ATOM 1632 CG2 THR A 113 -9.321 10.735 5.862 1.00 22.11 C ATOM 0 H THR A 113 -6.532 10.851 4.326 1.00 11.11 H new ATOM 0 HA THR A 113 -8.126 8.489 4.989 1.00 44.54 H new ATOM 0 HB THR A 113 -9.935 9.979 3.963 1.00 23.01 H new ATOM 0 HG1 THR A 113 -8.482 11.360 2.748 1.00 3.33 H new ATOM 0 HG21 THR A 113 -10.109 11.487 5.902 1.00 22.11 H new ATOM 0 HG22 THR A 113 -9.646 9.841 6.394 1.00 22.11 H new ATOM 0 HG23 THR A 113 -8.419 11.128 6.331 1.00 22.11 H new ATOM 1638 N ASP A 114 -6.676 8.746 2.331 1.00 1.04 N ATOM 1639 CA ASP A 114 -6.518 8.318 0.956 1.00 31.02 C ATOM 1640 C ASP A 114 -5.327 7.419 0.805 1.00 64.10 C ATOM 1641 O ASP A 114 -4.189 7.832 1.060 1.00 13.34 O ATOM 1642 CB ASP A 114 -6.401 9.526 0.021 1.00 42.23 C ATOM 1643 CG ASP A 114 -7.661 10.342 -0.041 1.00 33.22 C ATOM 1644 OD1 ASP A 114 -7.842 11.259 0.801 1.00 44.24 O ATOM 1645 OD2 ASP A 114 -8.501 10.070 -0.929 1.00 14.32 O ATOM 0 H ASP A 114 -5.807 9.006 2.798 1.00 1.04 H new ATOM 0 HA ASP A 114 -7.407 7.752 0.678 1.00 31.02 H new ATOM 0 HB2 ASP A 114 -5.580 10.160 0.356 1.00 42.23 H new ATOM 0 HB3 ASP A 114 -6.149 9.180 -0.981 1.00 42.23 H new ATOM 1650 N LEU A 115 -5.580 6.188 0.423 1.00 15.30 N ATOM 1651 CA LEU A 115 -4.527 5.230 0.259 1.00 1.10 C ATOM 1652 C LEU A 115 -4.780 4.431 -1.038 1.00 40.30 C ATOM 1653 O LEU A 115 -5.888 3.913 -1.259 1.00 10.31 O ATOM 1654 CB LEU A 115 -4.497 4.305 1.514 1.00 34.00 C ATOM 1655 CG LEU A 115 -3.219 3.485 1.786 1.00 24.51 C ATOM 1656 CD1 LEU A 115 -3.327 2.774 3.123 1.00 35.10 C ATOM 1657 CD2 LEU A 115 -2.975 2.474 0.705 1.00 71.13 C ATOM 0 H LEU A 115 -6.514 5.832 0.221 1.00 15.30 H new ATOM 0 HA LEU A 115 -3.556 5.718 0.171 1.00 1.10 H new ATOM 0 HB2 LEU A 115 -4.687 4.926 2.390 1.00 34.00 H new ATOM 0 HB3 LEU A 115 -5.330 3.606 1.432 1.00 34.00 H new ATOM 0 HG LEU A 115 -2.380 4.180 1.805 1.00 24.51 H new ATOM 0 HD11 LEU A 115 -2.419 2.199 3.304 1.00 35.10 H new ATOM 0 HD12 LEU A 115 -3.454 3.510 3.917 1.00 35.10 H new ATOM 0 HD13 LEU A 115 -4.185 2.102 3.110 1.00 35.10 H new ATOM 0 HD21 LEU A 115 -2.067 1.914 0.929 1.00 71.13 H new ATOM 0 HD22 LEU A 115 -3.820 1.788 0.651 1.00 71.13 H new ATOM 0 HD23 LEU A 115 -2.860 2.984 -0.251 1.00 71.13 H new ATOM 1665 N SER A 116 -3.786 4.348 -1.871 1.00 32.54 N ATOM 1666 CA SER A 116 -3.847 3.576 -3.069 1.00 24.31 C ATOM 1667 C SER A 116 -2.804 2.474 -3.036 1.00 33.50 C ATOM 1668 O SER A 116 -1.746 2.597 -2.397 1.00 12.13 O ATOM 1669 CB SER A 116 -3.683 4.458 -4.296 1.00 3.23 C ATOM 1670 OG SER A 116 -2.504 5.225 -4.214 1.00 21.13 O ATOM 0 H SER A 116 -2.895 4.825 -1.731 1.00 32.54 H new ATOM 0 HA SER A 116 -4.831 3.112 -3.133 1.00 24.31 H new ATOM 0 HB2 SER A 116 -3.656 3.838 -5.192 1.00 3.23 H new ATOM 0 HB3 SER A 116 -4.545 5.119 -4.391 1.00 3.23 H new ATOM 0 HG SER A 116 -2.707 6.094 -3.809 1.00 21.13 H new ATOM 1676 N MET A 117 -3.100 1.404 -3.689 1.00 2.44 N ATOM 1677 CA MET A 117 -2.235 0.269 -3.708 1.00 11.03 C ATOM 1678 C MET A 117 -2.483 -0.480 -4.998 1.00 41.31 C ATOM 1679 O MET A 117 -3.502 -0.254 -5.643 1.00 61.51 O ATOM 1680 CB MET A 117 -2.531 -0.623 -2.472 1.00 42.25 C ATOM 1681 CG MET A 117 -3.943 -1.191 -2.436 1.00 60.42 C ATOM 1682 SD MET A 117 -4.323 -2.097 -0.918 1.00 11.05 S ATOM 1683 CE MET A 117 -4.193 -0.799 0.318 1.00 64.10 C ATOM 0 H MET A 117 -3.956 1.288 -4.231 1.00 2.44 H new ATOM 0 HA MET A 117 -1.188 0.568 -3.660 1.00 11.03 H new ATOM 0 HB2 MET A 117 -1.819 -1.448 -2.455 1.00 42.25 H new ATOM 0 HB3 MET A 117 -2.363 -0.038 -1.567 1.00 42.25 H new ATOM 0 HG2 MET A 117 -4.657 -0.375 -2.550 1.00 60.42 H new ATOM 0 HG3 MET A 117 -4.080 -1.855 -3.289 1.00 60.42 H new ATOM 0 HE1 MET A 117 -4.572 -1.166 1.272 1.00 64.10 H new ATOM 0 HE2 MET A 117 -3.149 -0.507 0.430 1.00 64.10 H new ATOM 0 HE3 MET A 117 -4.779 0.064 0.002 1.00 64.10 H new ATOM 1693 N PRO A 118 -1.567 -1.327 -5.432 1.00 51.03 N ATOM 1694 CA PRO A 118 -1.781 -2.142 -6.605 1.00 53.14 C ATOM 1695 C PRO A 118 -2.443 -3.441 -6.178 1.00 1.33 C ATOM 1696 O PRO A 118 -2.922 -3.554 -5.040 1.00 2.44 O ATOM 1697 CB PRO A 118 -0.352 -2.415 -7.065 1.00 4.21 C ATOM 1698 CG PRO A 118 0.428 -2.513 -5.794 1.00 12.11 C ATOM 1699 CD PRO A 118 -0.240 -1.573 -4.819 1.00 13.23 C ATOM 0 HA PRO A 118 -2.409 -1.687 -7.371 1.00 53.14 H new ATOM 0 HB2 PRO A 118 -0.289 -3.337 -7.644 1.00 4.21 H new ATOM 0 HB3 PRO A 118 0.022 -1.613 -7.701 1.00 4.21 H new ATOM 0 HG2 PRO A 118 0.427 -3.535 -5.414 1.00 12.11 H new ATOM 0 HG3 PRO A 118 1.469 -2.234 -5.953 1.00 12.11 H new ATOM 0 HD2 PRO A 118 -0.331 -2.020 -3.829 1.00 13.23 H new ATOM 0 HD3 PRO A 118 0.325 -0.649 -4.701 1.00 13.23 H new ATOM 1707 N ARG A 119 -2.489 -4.418 -7.047 1.00 33.32 N ATOM 1708 CA ARG A 119 -2.968 -5.697 -6.612 1.00 33.14 C ATOM 1709 C ARG A 119 -1.889 -6.405 -5.817 1.00 43.04 C ATOM 1710 O ARG A 119 -0.996 -7.055 -6.383 1.00 1.31 O ATOM 1711 CB ARG A 119 -3.495 -6.577 -7.748 1.00 52.12 C ATOM 1712 CG ARG A 119 -4.741 -6.041 -8.434 1.00 44.01 C ATOM 1713 CD ARG A 119 -5.289 -7.051 -9.432 1.00 54.42 C ATOM 1714 NE ARG A 119 -5.667 -8.321 -8.776 1.00 72.14 N ATOM 1715 CZ ARG A 119 -6.182 -9.394 -9.406 1.00 0.05 C ATOM 1716 NH1 ARG A 119 -6.422 -9.353 -10.705 1.00 35.10 N ATOM 1717 NH2 ARG A 119 -6.467 -10.499 -8.717 1.00 71.43 N ATOM 0 H ARG A 119 -2.210 -4.355 -8.026 1.00 33.32 H new ATOM 0 HA ARG A 119 -3.830 -5.513 -5.971 1.00 33.14 H new ATOM 0 HB2 ARG A 119 -2.708 -6.697 -8.493 1.00 52.12 H new ATOM 0 HB3 ARG A 119 -3.712 -7.569 -7.352 1.00 52.12 H new ATOM 0 HG2 ARG A 119 -5.502 -5.812 -7.688 1.00 44.01 H new ATOM 0 HG3 ARG A 119 -4.506 -5.108 -8.947 1.00 44.01 H new ATOM 0 HD2 ARG A 119 -6.159 -6.629 -9.936 1.00 54.42 H new ATOM 0 HD3 ARG A 119 -4.540 -7.247 -10.199 1.00 54.42 H new ATOM 0 HE ARG A 119 -5.527 -8.390 -7.768 1.00 72.14 H new ATOM 0 HH11 ARG A 119 -6.217 -8.506 -11.235 1.00 35.10 H new ATOM 0 HH12 ARG A 119 -6.812 -10.168 -11.178 1.00 35.10 H new ATOM 0 HH21 ARG A 119 -6.295 -10.532 -7.712 1.00 71.43 H new ATOM 0 HH22 ARG A 119 -6.857 -11.311 -9.195 1.00 71.43 H new ATOM 1729 N ILE A 120 -1.920 -6.190 -4.520 1.00 4.01 N ATOM 1730 CA ILE A 120 -1.010 -6.836 -3.617 1.00 43.42 C ATOM 1731 C ILE A 120 -1.527 -8.214 -3.319 1.00 54.14 C ATOM 1732 O ILE A 120 -2.727 -8.451 -3.378 1.00 54.22 O ATOM 1733 CB ILE A 120 -0.802 -6.041 -2.296 1.00 1.23 C ATOM 1734 CG1 ILE A 120 -2.134 -5.833 -1.545 1.00 51.31 C ATOM 1735 CG2 ILE A 120 -0.128 -4.708 -2.584 1.00 53.02 C ATOM 1736 CD1 ILE A 120 -1.990 -5.108 -0.218 1.00 31.31 C ATOM 0 H ILE A 120 -2.581 -5.559 -4.067 1.00 4.01 H new ATOM 0 HA ILE A 120 -0.034 -6.886 -4.101 1.00 43.42 H new ATOM 0 HB ILE A 120 -0.152 -6.628 -1.648 1.00 1.23 H new ATOM 0 HG12 ILE A 120 -2.814 -5.269 -2.183 1.00 51.31 H new ATOM 0 HG13 ILE A 120 -2.595 -6.805 -1.368 1.00 51.31 H new ATOM 0 HG21 ILE A 120 0.012 -4.162 -1.651 1.00 53.02 H new ATOM 0 HG22 ILE A 120 0.841 -4.884 -3.050 1.00 53.02 H new ATOM 0 HG23 ILE A 120 -0.753 -4.122 -3.257 1.00 53.02 H new ATOM 0 HD11 ILE A 120 -2.970 -5.002 0.247 1.00 31.31 H new ATOM 0 HD12 ILE A 120 -1.337 -5.680 0.440 1.00 31.31 H new ATOM 0 HD13 ILE A 120 -1.560 -4.121 -0.387 1.00 31.31 H new ATOM 1743 N GLY A 121 -0.649 -9.123 -3.034 1.00 45.35 N ATOM 1744 CA GLY A 121 -1.084 -10.464 -2.825 1.00 62.24 C ATOM 1745 C GLY A 121 -1.541 -11.068 -4.132 1.00 13.25 C ATOM 1746 O GLY A 121 -2.600 -11.702 -4.208 1.00 62.43 O ATOM 0 H GLY A 121 0.354 -8.965 -2.942 1.00 45.35 H new ATOM 0 HA2 GLY A 121 -0.272 -11.057 -2.405 1.00 62.24 H new ATOM 0 HA3 GLY A 121 -1.899 -10.482 -2.102 1.00 62.24 H new ATOM 1750 N CYS A 122 -0.753 -10.820 -5.176 1.00 1.20 N ATOM 1751 CA CYS A 122 -1.041 -11.299 -6.518 1.00 64.03 C ATOM 1752 C CYS A 122 0.261 -11.488 -7.332 1.00 44.22 C ATOM 1753 O CYS A 122 0.211 -11.822 -8.527 1.00 32.34 O ATOM 1754 CB CYS A 122 -1.956 -10.303 -7.267 1.00 42.21 C ATOM 1755 SG CYS A 122 -3.545 -9.947 -6.468 1.00 61.14 S ATOM 0 H CYS A 122 0.108 -10.277 -5.110 1.00 1.20 H new ATOM 0 HA CYS A 122 -1.546 -12.260 -6.419 1.00 64.03 H new ATOM 0 HB2 CYS A 122 -1.415 -9.365 -7.394 1.00 42.21 H new ATOM 0 HB3 CYS A 122 -2.151 -10.696 -8.265 1.00 42.21 H new ATOM 0 HG CYS A 122 -3.613 -10.581 -5.335 1.00 61.14 H new ATOM 1761 N GLY A 123 1.403 -11.292 -6.705 1.00 52.32 N ATOM 1762 CA GLY A 123 2.651 -11.376 -7.426 1.00 23.35 C ATOM 1763 C GLY A 123 3.549 -12.465 -6.893 1.00 43.02 C ATOM 1764 O GLY A 123 3.121 -13.605 -6.738 1.00 62.55 O ATOM 0 H GLY A 123 1.491 -11.077 -5.712 1.00 52.32 H new ATOM 0 HA2 GLY A 123 2.447 -11.561 -8.481 1.00 23.35 H new ATOM 0 HA3 GLY A 123 3.169 -10.419 -7.364 1.00 23.35 H new ATOM 1768 N LEU A 124 4.791 -12.101 -6.577 1.00 64.11 N ATOM 1769 CA LEU A 124 5.778 -13.049 -6.035 1.00 12.41 C ATOM 1770 C LEU A 124 5.397 -13.472 -4.632 1.00 44.01 C ATOM 1771 O LEU A 124 5.915 -14.440 -4.094 1.00 55.24 O ATOM 1772 CB LEU A 124 7.220 -12.499 -6.068 1.00 44.21 C ATOM 1773 CG LEU A 124 7.857 -12.251 -7.454 1.00 51.43 C ATOM 1774 CD1 LEU A 124 7.204 -11.091 -8.199 1.00 12.34 C ATOM 1775 CD2 LEU A 124 9.343 -12.035 -7.317 1.00 44.43 C ATOM 0 H LEU A 124 5.145 -11.150 -6.686 1.00 64.11 H new ATOM 0 HA LEU A 124 5.764 -13.923 -6.686 1.00 12.41 H new ATOM 0 HB2 LEU A 124 7.234 -11.558 -5.518 1.00 44.21 H new ATOM 0 HB3 LEU A 124 7.858 -13.195 -5.524 1.00 44.21 H new ATOM 0 HG LEU A 124 7.682 -13.144 -8.054 1.00 51.43 H new ATOM 0 HD11 LEU A 124 7.690 -10.960 -9.166 1.00 12.34 H new ATOM 0 HD12 LEU A 124 6.146 -11.305 -8.350 1.00 12.34 H new ATOM 0 HD13 LEU A 124 7.309 -10.177 -7.614 1.00 12.34 H new ATOM 0 HD21 LEU A 124 9.778 -11.862 -8.301 1.00 44.43 H new ATOM 0 HD22 LEU A 124 9.528 -11.169 -6.681 1.00 44.43 H new ATOM 0 HD23 LEU A 124 9.799 -12.918 -6.869 1.00 44.43 H new ATOM 1783 N ASP A 125 4.506 -12.693 -4.054 1.00 33.04 N ATOM 1784 CA ASP A 125 3.901 -12.946 -2.754 1.00 24.14 C ATOM 1785 C ASP A 125 3.069 -14.248 -2.782 1.00 52.22 C ATOM 1786 O ASP A 125 2.840 -14.866 -1.744 1.00 44.23 O ATOM 1787 CB ASP A 125 3.014 -11.760 -2.387 1.00 2.42 C ATOM 1788 CG ASP A 125 2.045 -11.441 -3.497 1.00 63.42 C ATOM 1789 OD1 ASP A 125 1.147 -12.228 -3.740 1.00 23.01 O ATOM 1790 OD2 ASP A 125 2.224 -10.403 -4.196 1.00 70.45 O ATOM 0 H ASP A 125 4.168 -11.834 -4.489 1.00 33.04 H new ATOM 0 HA ASP A 125 4.686 -13.067 -2.007 1.00 24.14 H new ATOM 0 HB2 ASP A 125 2.464 -11.983 -1.473 1.00 2.42 H new ATOM 0 HB3 ASP A 125 3.635 -10.888 -2.181 1.00 2.42 H new ATOM 1795 N ARG A 126 2.610 -14.638 -4.002 1.00 71.11 N ATOM 1796 CA ARG A 126 1.921 -15.911 -4.259 1.00 42.41 C ATOM 1797 C ARG A 126 0.558 -16.001 -3.577 1.00 1.03 C ATOM 1798 O ARG A 126 0.050 -17.105 -3.346 1.00 22.32 O ATOM 1799 CB ARG A 126 2.788 -17.045 -3.767 1.00 3.02 C ATOM 1800 CG ARG A 126 4.178 -16.987 -4.312 1.00 61.13 C ATOM 1801 CD ARG A 126 4.983 -18.075 -3.756 1.00 60.10 C ATOM 1802 NE ARG A 126 6.407 -17.884 -4.019 1.00 34.22 N ATOM 1803 CZ ARG A 126 7.358 -18.771 -3.731 1.00 71.41 C ATOM 1804 NH1 ARG A 126 7.032 -19.977 -3.278 1.00 71.34 N ATOM 1805 NH2 ARG A 126 8.633 -18.456 -3.918 1.00 41.33 N ATOM 0 H ARG A 126 2.715 -14.063 -4.838 1.00 71.11 H new ATOM 0 HA ARG A 126 1.751 -15.974 -5.334 1.00 42.41 H new ATOM 0 HB2 ARG A 126 2.828 -17.020 -2.678 1.00 3.02 H new ATOM 0 HB3 ARG A 126 2.331 -17.994 -4.048 1.00 3.02 H new ATOM 0 HG2 ARG A 126 4.154 -17.061 -5.399 1.00 61.13 H new ATOM 0 HG3 ARG A 126 4.633 -16.027 -4.068 1.00 61.13 H new ATOM 0 HD2 ARG A 126 4.817 -18.137 -2.681 1.00 60.10 H new ATOM 0 HD3 ARG A 126 4.658 -19.023 -4.184 1.00 60.10 H new ATOM 0 HE ARG A 126 6.694 -17.008 -4.455 1.00 34.22 H new ATOM 0 HH11 ARG A 126 6.051 -20.226 -3.150 1.00 71.34 H new ATOM 0 HH12 ARG A 126 7.763 -20.654 -3.058 1.00 71.34 H new ATOM 0 HH21 ARG A 126 8.883 -17.536 -4.282 1.00 41.33 H new ATOM 0 HH22 ARG A 126 9.363 -19.133 -3.698 1.00 41.33 H new ATOM 1817 N LEU A 127 -0.065 -14.878 -3.300 1.00 73.10 N ATOM 1818 CA LEU A 127 -1.311 -14.906 -2.547 1.00 3.13 C ATOM 1819 C LEU A 127 -2.549 -14.878 -3.443 1.00 74.14 C ATOM 1820 O LEU A 127 -2.474 -14.577 -4.647 1.00 61.42 O ATOM 1821 CB LEU A 127 -1.359 -13.764 -1.530 1.00 30.25 C ATOM 1822 CG LEU A 127 -0.233 -13.736 -0.487 1.00 1.52 C ATOM 1823 CD1 LEU A 127 -0.387 -12.542 0.437 1.00 22.24 C ATOM 1824 CD2 LEU A 127 -0.205 -15.027 0.315 1.00 44.42 C ATOM 0 H LEU A 127 0.256 -13.950 -3.575 1.00 73.10 H new ATOM 0 HA LEU A 127 -1.328 -15.857 -2.015 1.00 3.13 H new ATOM 0 HB2 LEU A 127 -1.345 -12.820 -2.074 1.00 30.25 H new ATOM 0 HB3 LEU A 127 -2.312 -13.814 -1.004 1.00 30.25 H new ATOM 0 HG LEU A 127 0.715 -13.642 -1.017 1.00 1.52 H new ATOM 0 HD11 LEU A 127 0.421 -12.541 1.168 1.00 22.24 H new ATOM 0 HD12 LEU A 127 -0.349 -11.623 -0.147 1.00 22.24 H new ATOM 0 HD13 LEU A 127 -1.344 -12.603 0.954 1.00 22.24 H new ATOM 0 HD21 LEU A 127 0.601 -14.983 1.047 1.00 44.42 H new ATOM 0 HD22 LEU A 127 -1.157 -15.156 0.830 1.00 44.42 H new ATOM 0 HD23 LEU A 127 -0.039 -15.869 -0.357 1.00 44.42 H new ATOM 1832 N GLN A 128 -3.678 -15.237 -2.862 1.00 33.50 N ATOM 1833 CA GLN A 128 -4.959 -15.204 -3.537 1.00 4.10 C ATOM 1834 C GLN A 128 -5.722 -13.944 -3.171 1.00 0.45 C ATOM 1835 O GLN A 128 -6.121 -13.762 -2.007 1.00 31.31 O ATOM 1836 CB GLN A 128 -5.810 -16.439 -3.226 1.00 12.41 C ATOM 1837 CG GLN A 128 -5.373 -17.738 -3.880 1.00 55.43 C ATOM 1838 CD GLN A 128 -4.015 -18.271 -3.435 1.00 1.31 C ATOM 1839 OE1 GLN A 128 -3.587 -18.082 -2.295 1.00 53.51 O ATOM 1840 NE2 GLN A 128 -3.329 -18.929 -4.331 1.00 62.15 N ATOM 0 H GLN A 128 -3.731 -15.563 -1.897 1.00 33.50 H new ATOM 0 HA GLN A 128 -4.755 -15.205 -4.608 1.00 4.10 H new ATOM 0 HB2 GLN A 128 -5.819 -16.586 -2.146 1.00 12.41 H new ATOM 0 HB3 GLN A 128 -6.837 -16.232 -3.528 1.00 12.41 H new ATOM 0 HG2 GLN A 128 -6.127 -18.499 -3.677 1.00 55.43 H new ATOM 0 HG3 GLN A 128 -5.351 -17.592 -4.960 1.00 55.43 H new ATOM 0 HE21 GLN A 128 -3.712 -19.068 -5.266 1.00 62.15 H new ATOM 0 HE22 GLN A 128 -2.410 -19.304 -4.096 1.00 62.15 H new ATOM 1848 N TRP A 129 -5.958 -13.108 -4.164 1.00 20.01 N ATOM 1849 CA TRP A 129 -6.594 -11.799 -3.995 1.00 33.32 C ATOM 1850 C TRP A 129 -7.961 -11.865 -3.348 1.00 63.21 C ATOM 1851 O TRP A 129 -8.306 -10.975 -2.591 1.00 41.31 O ATOM 1852 CB TRP A 129 -6.619 -11.008 -5.318 1.00 1.43 C ATOM 1853 CG TRP A 129 -7.305 -9.664 -5.251 1.00 44.35 C ATOM 1854 CD1 TRP A 129 -8.571 -9.372 -5.672 1.00 31.21 C ATOM 1855 CD2 TRP A 129 -6.768 -8.440 -4.733 1.00 70.24 C ATOM 1856 NE1 TRP A 129 -8.847 -8.053 -5.438 1.00 34.13 N ATOM 1857 CE2 TRP A 129 -7.761 -7.459 -4.870 1.00 23.25 C ATOM 1858 CE3 TRP A 129 -5.553 -8.081 -4.169 1.00 2.24 C ATOM 1859 CZ2 TRP A 129 -7.575 -6.143 -4.460 1.00 40.33 C ATOM 1860 CZ3 TRP A 129 -5.366 -6.774 -3.762 1.00 45.41 C ATOM 1861 CH2 TRP A 129 -6.371 -5.821 -3.910 1.00 31.33 C ATOM 0 H TRP A 129 -5.712 -13.316 -5.132 1.00 20.01 H new ATOM 0 HA TRP A 129 -5.968 -11.252 -3.290 1.00 33.32 H new ATOM 0 HB2 TRP A 129 -5.592 -10.858 -5.652 1.00 1.43 H new ATOM 0 HB3 TRP A 129 -7.116 -11.614 -6.076 1.00 1.43 H new ATOM 0 HD1 TRP A 129 -9.253 -10.078 -6.123 1.00 31.21 H new ATOM 0 HE1 TRP A 129 -9.728 -7.587 -5.655 1.00 34.13 H new ATOM 0 HE3 TRP A 129 -4.766 -8.811 -4.050 1.00 2.24 H new ATOM 0 HZ2 TRP A 129 -8.355 -5.405 -4.573 1.00 40.33 H new ATOM 0 HZ3 TRP A 129 -4.423 -6.486 -3.321 1.00 45.41 H new ATOM 0 HH2 TRP A 129 -6.192 -4.807 -3.582 1.00 31.33 H new ATOM 1872 N GLU A 130 -8.722 -12.905 -3.624 1.00 35.04 N ATOM 1873 CA GLU A 130 -10.036 -13.055 -3.009 1.00 51.44 C ATOM 1874 C GLU A 130 -9.908 -13.020 -1.479 1.00 55.25 C ATOM 1875 O GLU A 130 -10.699 -12.381 -0.782 1.00 23.01 O ATOM 1876 CB GLU A 130 -10.696 -14.361 -3.465 1.00 42.41 C ATOM 1877 CG GLU A 130 -12.084 -14.588 -2.887 1.00 71.43 C ATOM 1878 CD GLU A 130 -12.721 -15.855 -3.387 1.00 32.24 C ATOM 1879 OE1 GLU A 130 -12.506 -16.918 -2.785 1.00 43.34 O ATOM 1880 OE2 GLU A 130 -13.456 -15.802 -4.386 1.00 22.34 O ATOM 0 H GLU A 130 -8.461 -13.655 -4.264 1.00 35.04 H new ATOM 0 HA GLU A 130 -10.668 -12.225 -3.325 1.00 51.44 H new ATOM 0 HB2 GLU A 130 -10.762 -14.362 -4.553 1.00 42.41 H new ATOM 0 HB3 GLU A 130 -10.056 -15.197 -3.184 1.00 42.41 H new ATOM 0 HG2 GLU A 130 -12.019 -14.624 -1.800 1.00 71.43 H new ATOM 0 HG3 GLU A 130 -12.722 -13.741 -3.141 1.00 71.43 H new ATOM 1887 N ASN A 131 -8.898 -13.695 -0.975 1.00 3.24 N ATOM 1888 CA ASN A 131 -8.649 -13.732 0.459 1.00 24.12 C ATOM 1889 C ASN A 131 -7.998 -12.432 0.941 1.00 1.33 C ATOM 1890 O ASN A 131 -8.317 -11.929 2.016 1.00 34.51 O ATOM 1891 CB ASN A 131 -7.780 -14.926 0.824 1.00 31.22 C ATOM 1892 CG ASN A 131 -8.321 -16.210 0.257 1.00 25.32 C ATOM 1893 OD1 ASN A 131 -7.885 -16.526 -0.932 1.00 41.12 O flip ATOM 1894 ND2 ASN A 131 -9.127 -16.907 0.872 1.00 34.35 N flip ATOM 0 H ASN A 131 -8.232 -14.228 -1.534 1.00 3.24 H new ATOM 0 HA ASN A 131 -9.611 -13.836 0.961 1.00 24.12 H new ATOM 0 HB2 ASN A 131 -6.768 -14.764 0.454 1.00 31.22 H new ATOM 0 HB3 ASN A 131 -7.714 -15.008 1.909 1.00 31.22 H new ATOM 0 HD21 ASN A 131 -9.442 -16.624 1.800 1.00 34.35 H new ATOM 0 HD22 ASN A 131 -9.480 -17.768 0.454 1.00 34.35 H new ATOM 1900 N VAL A 132 -7.084 -11.894 0.133 1.00 13.25 N ATOM 1901 CA VAL A 132 -6.354 -10.666 0.483 1.00 64.04 C ATOM 1902 C VAL A 132 -7.288 -9.462 0.532 1.00 4.23 C ATOM 1903 O VAL A 132 -7.373 -8.783 1.554 1.00 64.52 O ATOM 1904 CB VAL A 132 -5.198 -10.370 -0.522 1.00 55.41 C ATOM 1905 CG1 VAL A 132 -4.437 -9.106 -0.130 1.00 60.03 C ATOM 1906 CG2 VAL A 132 -4.249 -11.544 -0.611 1.00 33.14 C ATOM 0 H VAL A 132 -6.828 -12.288 -0.772 1.00 13.25 H new ATOM 0 HA VAL A 132 -5.926 -10.834 1.471 1.00 64.04 H new ATOM 0 HB VAL A 132 -5.646 -10.209 -1.502 1.00 55.41 H new ATOM 0 HG11 VAL A 132 -3.638 -8.925 -0.848 1.00 60.03 H new ATOM 0 HG12 VAL A 132 -5.120 -8.257 -0.126 1.00 60.03 H new ATOM 0 HG13 VAL A 132 -4.009 -9.233 0.865 1.00 60.03 H new ATOM 0 HG21 VAL A 132 -3.451 -11.314 -1.318 1.00 33.14 H new ATOM 0 HG22 VAL A 132 -3.819 -11.739 0.371 1.00 33.14 H new ATOM 0 HG23 VAL A 132 -4.792 -12.426 -0.951 1.00 33.14 H new ATOM 1912 N SER A 133 -7.996 -9.234 -0.563 1.00 14.32 N ATOM 1913 CA SER A 133 -8.903 -8.112 -0.709 1.00 31.41 C ATOM 1914 C SER A 133 -9.922 -8.088 0.402 1.00 2.34 C ATOM 1915 O SER A 133 -10.045 -7.088 1.093 1.00 14.11 O ATOM 1916 CB SER A 133 -9.592 -8.167 -2.080 1.00 43.43 C ATOM 1917 OG SER A 133 -10.540 -7.124 -2.253 1.00 65.44 O ATOM 0 H SER A 133 -7.954 -9.834 -1.387 1.00 14.32 H new ATOM 0 HA SER A 133 -8.324 -7.191 -0.645 1.00 31.41 H new ATOM 0 HB2 SER A 133 -8.838 -8.103 -2.865 1.00 43.43 H new ATOM 0 HB3 SER A 133 -10.090 -9.130 -2.195 1.00 43.43 H new ATOM 0 HG SER A 133 -11.318 -7.291 -1.682 1.00 65.44 H new ATOM 1923 N ALA A 134 -10.617 -9.209 0.602 1.00 62.43 N ATOM 1924 CA ALA A 134 -11.655 -9.295 1.620 1.00 63.55 C ATOM 1925 C ALA A 134 -11.111 -8.945 2.996 1.00 62.04 C ATOM 1926 O ALA A 134 -11.765 -8.263 3.764 1.00 22.22 O ATOM 1927 CB ALA A 134 -12.284 -10.671 1.632 1.00 11.51 C ATOM 0 H ALA A 134 -10.477 -10.068 0.070 1.00 62.43 H new ATOM 0 HA ALA A 134 -12.425 -8.566 1.368 1.00 63.55 H new ATOM 0 HB1 ALA A 134 -13.056 -10.711 2.400 1.00 11.51 H new ATOM 0 HB2 ALA A 134 -12.729 -10.876 0.659 1.00 11.51 H new ATOM 0 HB3 ALA A 134 -11.520 -11.418 1.846 1.00 11.51 H new ATOM 1933 N MET A 135 -9.897 -9.382 3.275 1.00 41.44 N ATOM 1934 CA MET A 135 -9.260 -9.108 4.545 1.00 63.14 C ATOM 1935 C MET A 135 -8.979 -7.602 4.698 1.00 4.01 C ATOM 1936 O MET A 135 -9.230 -7.027 5.752 1.00 51.11 O ATOM 1937 CB MET A 135 -7.994 -9.959 4.689 1.00 4.41 C ATOM 1938 CG MET A 135 -7.242 -9.785 5.996 1.00 40.45 C ATOM 1939 SD MET A 135 -5.894 -10.978 6.172 1.00 4.21 S ATOM 1940 CE MET A 135 -4.895 -10.622 4.728 1.00 73.20 C ATOM 0 H MET A 135 -9.330 -9.933 2.631 1.00 41.44 H new ATOM 0 HA MET A 135 -9.934 -9.385 5.356 1.00 63.14 H new ATOM 0 HB2 MET A 135 -8.267 -11.009 4.583 1.00 4.41 H new ATOM 0 HB3 MET A 135 -7.320 -9.721 3.866 1.00 4.41 H new ATOM 0 HG2 MET A 135 -6.839 -8.774 6.050 1.00 40.45 H new ATOM 0 HG3 MET A 135 -7.935 -9.897 6.830 1.00 40.45 H new ATOM 0 HE1 MET A 135 -3.920 -11.097 4.834 1.00 73.20 H new ATOM 0 HE2 MET A 135 -5.392 -11.008 3.838 1.00 73.20 H new ATOM 0 HE3 MET A 135 -4.765 -9.544 4.632 1.00 73.20 H new ATOM 1950 N ILE A 136 -8.499 -6.967 3.624 1.00 61.05 N ATOM 1951 CA ILE A 136 -8.264 -5.520 3.602 1.00 34.41 C ATOM 1952 C ILE A 136 -9.598 -4.790 3.813 1.00 64.41 C ATOM 1953 O ILE A 136 -9.699 -3.846 4.607 1.00 54.35 O ATOM 1954 CB ILE A 136 -7.672 -5.085 2.230 1.00 14.53 C ATOM 1955 CG1 ILE A 136 -6.360 -5.826 1.945 1.00 13.14 C ATOM 1956 CG2 ILE A 136 -7.446 -3.581 2.200 1.00 72.55 C ATOM 1957 CD1 ILE A 136 -5.769 -5.532 0.580 1.00 73.15 C ATOM 0 H ILE A 136 -8.264 -7.438 2.751 1.00 61.05 H new ATOM 0 HA ILE A 136 -7.559 -5.268 4.394 1.00 34.41 H new ATOM 0 HB ILE A 136 -8.390 -5.345 1.452 1.00 14.53 H new ATOM 0 HG12 ILE A 136 -5.631 -5.560 2.710 1.00 13.14 H new ATOM 0 HG13 ILE A 136 -6.535 -6.899 2.031 1.00 13.14 H new ATOM 0 HG21 ILE A 136 -7.032 -3.295 1.233 1.00 72.55 H new ATOM 0 HG22 ILE A 136 -8.395 -3.067 2.355 1.00 72.55 H new ATOM 0 HG23 ILE A 136 -6.749 -3.302 2.990 1.00 72.55 H new ATOM 0 HD11 ILE A 136 -4.843 -6.094 0.456 1.00 73.15 H new ATOM 0 HD12 ILE A 136 -6.478 -5.825 -0.194 1.00 73.15 H new ATOM 0 HD13 ILE A 136 -5.560 -4.465 0.496 1.00 73.15 H new ATOM 1964 N GLU A 137 -10.614 -5.272 3.119 1.00 15.14 N ATOM 1965 CA GLU A 137 -11.955 -4.722 3.178 1.00 22.33 C ATOM 1966 C GLU A 137 -12.553 -4.818 4.586 1.00 30.25 C ATOM 1967 O GLU A 137 -13.386 -4.001 4.961 1.00 11.13 O ATOM 1968 CB GLU A 137 -12.852 -5.387 2.126 1.00 75.02 C ATOM 1969 CG GLU A 137 -12.360 -5.157 0.697 1.00 0.44 C ATOM 1970 CD GLU A 137 -13.197 -5.840 -0.360 1.00 74.24 C ATOM 1971 OE1 GLU A 137 -14.158 -5.220 -0.854 1.00 62.22 O ATOM 1972 OE2 GLU A 137 -12.891 -7.001 -0.736 1.00 22.14 O ATOM 0 H GLU A 137 -10.528 -6.069 2.489 1.00 15.14 H new ATOM 0 HA GLU A 137 -11.894 -3.659 2.945 1.00 22.33 H new ATOM 0 HB2 GLU A 137 -12.900 -6.458 2.321 1.00 75.02 H new ATOM 0 HB3 GLU A 137 -13.866 -5.000 2.223 1.00 75.02 H new ATOM 0 HG2 GLU A 137 -12.345 -4.086 0.497 1.00 0.44 H new ATOM 0 HG3 GLU A 137 -11.332 -5.511 0.616 1.00 0.44 H new ATOM 1979 N GLU A 138 -12.142 -5.825 5.351 1.00 42.32 N ATOM 1980 CA GLU A 138 -12.584 -5.952 6.733 1.00 10.22 C ATOM 1981 C GLU A 138 -11.827 -4.976 7.624 1.00 51.22 C ATOM 1982 O GLU A 138 -12.432 -4.212 8.367 1.00 33.21 O ATOM 1983 CB GLU A 138 -12.392 -7.373 7.261 1.00 53.23 C ATOM 1984 CG GLU A 138 -13.151 -8.439 6.504 1.00 41.23 C ATOM 1985 CD GLU A 138 -12.964 -9.801 7.112 1.00 62.11 C ATOM 1986 OE1 GLU A 138 -11.855 -10.368 7.015 1.00 20.22 O ATOM 1987 OE2 GLU A 138 -13.917 -10.320 7.738 1.00 64.04 O ATOM 0 H GLU A 138 -11.508 -6.560 5.039 1.00 42.32 H new ATOM 0 HA GLU A 138 -13.649 -5.720 6.754 1.00 10.22 H new ATOM 0 HB2 GLU A 138 -11.330 -7.615 7.234 1.00 53.23 H new ATOM 0 HB3 GLU A 138 -12.699 -7.402 8.306 1.00 53.23 H new ATOM 0 HG2 GLU A 138 -14.212 -8.190 6.492 1.00 41.23 H new ATOM 0 HG3 GLU A 138 -12.816 -8.456 5.467 1.00 41.23 H new ATOM 1994 N VAL A 139 -10.502 -4.994 7.520 1.00 14.02 N ATOM 1995 CA VAL A 139 -9.618 -4.148 8.341 1.00 10.11 C ATOM 1996 C VAL A 139 -9.956 -2.651 8.199 1.00 20.11 C ATOM 1997 O VAL A 139 -9.993 -1.902 9.187 1.00 32.23 O ATOM 1998 CB VAL A 139 -8.111 -4.401 7.984 1.00 51.14 C ATOM 1999 CG1 VAL A 139 -7.183 -3.488 8.769 1.00 50.34 C ATOM 2000 CG2 VAL A 139 -7.739 -5.853 8.237 1.00 52.12 C ATOM 0 H VAL A 139 -10.002 -5.595 6.865 1.00 14.02 H new ATOM 0 HA VAL A 139 -9.785 -4.428 9.381 1.00 10.11 H new ATOM 0 HB VAL A 139 -7.989 -4.176 6.925 1.00 51.14 H new ATOM 0 HG11 VAL A 139 -6.149 -3.695 8.492 1.00 50.34 H new ATOM 0 HG12 VAL A 139 -7.418 -2.448 8.542 1.00 50.34 H new ATOM 0 HG13 VAL A 139 -7.316 -3.665 9.836 1.00 50.34 H new ATOM 0 HG21 VAL A 139 -6.690 -6.009 7.984 1.00 52.12 H new ATOM 0 HG22 VAL A 139 -7.898 -6.091 9.289 1.00 52.12 H new ATOM 0 HG23 VAL A 139 -8.362 -6.501 7.620 1.00 52.12 H new ATOM 2006 N PHE A 140 -10.199 -2.229 6.984 1.00 74.11 N ATOM 2007 CA PHE A 140 -10.511 -0.841 6.689 1.00 55.33 C ATOM 2008 C PHE A 140 -12.020 -0.581 6.577 1.00 41.12 C ATOM 2009 O PHE A 140 -12.429 0.513 6.155 1.00 54.52 O ATOM 2010 CB PHE A 140 -9.797 -0.396 5.409 1.00 2.22 C ATOM 2011 CG PHE A 140 -8.293 -0.393 5.520 1.00 73.12 C ATOM 2012 CD1 PHE A 140 -7.558 -1.548 5.305 1.00 25.13 C ATOM 2013 CD2 PHE A 140 -7.621 0.768 5.840 1.00 70.25 C ATOM 2014 CE1 PHE A 140 -6.182 -1.539 5.410 1.00 43.23 C ATOM 2015 CE2 PHE A 140 -6.247 0.783 5.945 1.00 23.11 C ATOM 2016 CZ PHE A 140 -5.527 -0.370 5.732 1.00 5.42 C ATOM 0 H PHE A 140 -10.188 -2.835 6.164 1.00 74.11 H new ATOM 0 HA PHE A 140 -10.151 -0.250 7.531 1.00 55.33 H new ATOM 0 HB2 PHE A 140 -10.090 -1.056 4.592 1.00 2.22 H new ATOM 0 HB3 PHE A 140 -10.134 0.606 5.146 1.00 2.22 H new ATOM 0 HD1 PHE A 140 -8.068 -2.466 5.052 1.00 25.13 H new ATOM 0 HD2 PHE A 140 -8.179 1.677 6.010 1.00 70.25 H new ATOM 0 HE1 PHE A 140 -5.620 -2.446 5.240 1.00 43.23 H new ATOM 0 HE2 PHE A 140 -5.735 1.701 6.195 1.00 23.11 H new ATOM 0 HZ PHE A 140 -4.450 -0.359 5.817 1.00 5.42 H new ATOM 2026 N GLU A 141 -12.842 -1.556 6.971 1.00 52.12 N ATOM 2027 CA GLU A 141 -14.309 -1.471 6.796 1.00 51.32 C ATOM 2028 C GLU A 141 -14.929 -0.213 7.388 1.00 55.23 C ATOM 2029 O GLU A 141 -15.769 0.431 6.758 1.00 30.32 O ATOM 2030 CB GLU A 141 -15.009 -2.725 7.320 1.00 0.52 C ATOM 2031 CG GLU A 141 -16.521 -2.711 7.176 1.00 10.01 C ATOM 2032 CD GLU A 141 -17.150 -3.989 7.638 1.00 12.42 C ATOM 2033 OE1 GLU A 141 -17.317 -4.180 8.858 1.00 1.52 O ATOM 2034 OE2 GLU A 141 -17.490 -4.826 6.790 1.00 12.15 O ATOM 0 H GLU A 141 -12.524 -2.418 7.415 1.00 52.12 H new ATOM 0 HA GLU A 141 -14.469 -1.406 5.720 1.00 51.32 H new ATOM 0 HB2 GLU A 141 -14.615 -3.593 6.792 1.00 0.52 H new ATOM 0 HB3 GLU A 141 -14.758 -2.852 8.373 1.00 0.52 H new ATOM 0 HG2 GLU A 141 -16.930 -1.880 7.750 1.00 10.01 H new ATOM 0 HG3 GLU A 141 -16.782 -2.537 6.132 1.00 10.01 H new ATOM 2041 N ALA A 142 -14.489 0.160 8.530 1.00 3.34 N ATOM 2042 CA ALA A 142 -15.023 1.326 9.170 1.00 41.14 C ATOM 2043 C ALA A 142 -13.962 2.379 9.354 1.00 70.04 C ATOM 2044 O ALA A 142 -13.452 2.587 10.450 1.00 30.30 O ATOM 2045 CB ALA A 142 -15.726 0.987 10.478 1.00 51.13 C ATOM 0 H ALA A 142 -13.757 -0.320 9.053 1.00 3.34 H new ATOM 0 HA ALA A 142 -15.784 1.742 8.510 1.00 41.14 H new ATOM 0 HB1 ALA A 142 -16.115 1.900 10.929 1.00 51.13 H new ATOM 0 HB2 ALA A 142 -16.549 0.300 10.281 1.00 51.13 H new ATOM 0 HB3 ALA A 142 -15.017 0.518 11.161 1.00 51.13 H new ATOM 2051 N THR A 143 -13.566 2.973 8.253 1.00 14.33 N ATOM 2052 CA THR A 143 -12.577 4.030 8.249 1.00 22.22 C ATOM 2053 C THR A 143 -12.960 5.052 7.187 1.00 64.35 C ATOM 2054 O THR A 143 -13.749 4.740 6.285 1.00 73.04 O ATOM 2055 CB THR A 143 -11.147 3.495 7.910 1.00 71.03 C ATOM 2056 OG1 THR A 143 -11.148 2.879 6.619 1.00 1.23 O ATOM 2057 CG2 THR A 143 -10.637 2.500 8.945 1.00 45.33 C ATOM 0 H THR A 143 -13.922 2.736 7.327 1.00 14.33 H new ATOM 0 HA THR A 143 -12.555 4.469 9.246 1.00 22.22 H new ATOM 0 HB THR A 143 -10.475 4.353 7.917 1.00 71.03 H new ATOM 0 HG1 THR A 143 -11.722 2.085 6.636 1.00 1.23 H new ATOM 0 HG21 THR A 143 -9.641 2.160 8.662 1.00 45.33 H new ATOM 0 HG22 THR A 143 -10.592 2.982 9.922 1.00 45.33 H new ATOM 0 HG23 THR A 143 -11.312 1.646 8.992 1.00 45.33 H new ATOM 2063 N ASP A 144 -12.405 6.246 7.272 1.00 43.45 N ATOM 2064 CA ASP A 144 -12.636 7.275 6.244 1.00 63.52 C ATOM 2065 C ASP A 144 -11.575 7.175 5.162 1.00 44.40 C ATOM 2066 O ASP A 144 -11.415 8.083 4.337 1.00 65.44 O ATOM 2067 CB ASP A 144 -12.616 8.693 6.841 1.00 11.50 C ATOM 2068 CG ASP A 144 -13.736 8.959 7.809 1.00 42.45 C ATOM 2069 OD1 ASP A 144 -14.889 9.142 7.366 1.00 42.34 O ATOM 2070 OD2 ASP A 144 -13.485 9.022 9.027 1.00 22.12 O ATOM 0 H ASP A 144 -11.792 6.538 8.033 1.00 43.45 H new ATOM 0 HA ASP A 144 -13.624 7.096 5.819 1.00 63.52 H new ATOM 0 HB2 ASP A 144 -11.664 8.850 7.349 1.00 11.50 H new ATOM 0 HB3 ASP A 144 -12.669 9.420 6.030 1.00 11.50 H new ATOM 2075 N ILE A 145 -10.872 6.064 5.153 1.00 74.01 N ATOM 2076 CA ILE A 145 -9.803 5.843 4.222 1.00 54.22 C ATOM 2077 C ILE A 145 -10.365 5.364 2.891 1.00 45.03 C ATOM 2078 O ILE A 145 -11.035 4.333 2.813 1.00 1.42 O ATOM 2079 CB ILE A 145 -8.797 4.802 4.781 1.00 32.32 C ATOM 2080 CG1 ILE A 145 -8.258 5.283 6.137 1.00 41.02 C ATOM 2081 CG2 ILE A 145 -7.644 4.585 3.795 1.00 44.13 C ATOM 2082 CD1 ILE A 145 -7.377 4.281 6.846 1.00 61.32 C ATOM 0 H ILE A 145 -11.031 5.289 5.797 1.00 74.01 H new ATOM 0 HA ILE A 145 -9.275 6.784 4.069 1.00 54.22 H new ATOM 0 HB ILE A 145 -9.311 3.851 4.918 1.00 32.32 H new ATOM 0 HG12 ILE A 145 -7.693 6.203 5.985 1.00 41.02 H new ATOM 0 HG13 ILE A 145 -9.101 5.530 6.783 1.00 41.02 H new ATOM 0 HG21 ILE A 145 -6.949 3.852 4.204 1.00 44.13 H new ATOM 0 HG22 ILE A 145 -8.040 4.220 2.847 1.00 44.13 H new ATOM 0 HG23 ILE A 145 -7.122 5.528 3.632 1.00 44.13 H new ATOM 0 HD11 ILE A 145 -7.040 4.700 7.794 1.00 61.32 H new ATOM 0 HD12 ILE A 145 -7.942 3.368 7.033 1.00 61.32 H new ATOM 0 HD13 ILE A 145 -6.513 4.051 6.223 1.00 61.32 H new ATOM 2089 N LYS A 146 -10.099 6.125 1.872 1.00 14.35 N ATOM 2090 CA LYS A 146 -10.515 5.818 0.544 1.00 53.11 C ATOM 2091 C LYS A 146 -9.421 4.964 -0.086 1.00 14.15 C ATOM 2092 O LYS A 146 -8.297 5.452 -0.306 1.00 13.21 O ATOM 2093 CB LYS A 146 -10.709 7.179 -0.221 1.00 61.52 C ATOM 2094 CG LYS A 146 -11.308 7.122 -1.647 1.00 31.02 C ATOM 2095 CD LYS A 146 -10.399 6.486 -2.718 1.00 34.10 C ATOM 2096 CE LYS A 146 -9.169 7.349 -3.148 1.00 32.30 C ATOM 2097 NZ LYS A 146 -8.198 7.628 -2.063 1.00 51.44 N ATOM 0 H LYS A 146 -9.574 6.996 1.947 1.00 14.35 H new ATOM 0 HA LYS A 146 -11.455 5.267 0.510 1.00 53.11 H new ATOM 0 HB2 LYS A 146 -11.350 7.817 0.387 1.00 61.52 H new ATOM 0 HB3 LYS A 146 -9.738 7.670 -0.284 1.00 61.52 H new ATOM 0 HG2 LYS A 146 -12.243 6.563 -1.609 1.00 31.02 H new ATOM 0 HG3 LYS A 146 -11.556 8.136 -1.960 1.00 31.02 H new ATOM 0 HD2 LYS A 146 -10.037 5.529 -2.342 1.00 34.10 H new ATOM 0 HD3 LYS A 146 -11.000 6.274 -3.602 1.00 34.10 H new ATOM 0 HE2 LYS A 146 -8.650 6.838 -3.959 1.00 32.30 H new ATOM 0 HE3 LYS A 146 -9.529 8.297 -3.547 1.00 32.30 H new ATOM 0 HZ1 LYS A 146 -7.238 7.677 -2.460 1.00 51.44 H new ATOM 0 HZ2 LYS A 146 -8.433 8.535 -1.612 1.00 51.44 H new ATOM 0 HZ3 LYS A 146 -8.241 6.868 -1.355 1.00 51.44 H new ATOM 2111 N ILE A 147 -9.733 3.712 -0.364 1.00 14.32 N ATOM 2112 CA ILE A 147 -8.785 2.807 -0.979 1.00 63.11 C ATOM 2113 C ILE A 147 -9.103 2.594 -2.433 1.00 23.21 C ATOM 2114 O ILE A 147 -10.252 2.360 -2.827 1.00 52.34 O ATOM 2115 CB ILE A 147 -8.669 1.432 -0.237 1.00 31.20 C ATOM 2116 CG1 ILE A 147 -8.078 1.642 1.148 1.00 5.41 C ATOM 2117 CG2 ILE A 147 -7.818 0.426 -1.033 1.00 31.12 C ATOM 2118 CD1 ILE A 147 -7.926 0.362 1.965 1.00 52.12 C ATOM 0 H ILE A 147 -10.645 3.297 -0.171 1.00 14.32 H new ATOM 0 HA ILE A 147 -7.812 3.291 -0.895 1.00 63.11 H new ATOM 0 HB ILE A 147 -9.671 1.013 -0.145 1.00 31.20 H new ATOM 0 HG12 ILE A 147 -7.100 2.112 1.046 1.00 5.41 H new ATOM 0 HG13 ILE A 147 -8.711 2.338 1.699 1.00 5.41 H new ATOM 0 HG21 ILE A 147 -7.761 -0.515 -0.486 1.00 31.12 H new ATOM 0 HG22 ILE A 147 -8.276 0.253 -2.007 1.00 31.12 H new ATOM 0 HG23 ILE A 147 -6.814 0.827 -1.170 1.00 31.12 H new ATOM 0 HD11 ILE A 147 -7.498 0.600 2.939 1.00 52.12 H new ATOM 0 HD12 ILE A 147 -8.903 -0.100 2.102 1.00 52.12 H new ATOM 0 HD13 ILE A 147 -7.268 -0.330 1.439 1.00 52.12 H new ATOM 2125 N THR A 148 -8.110 2.710 -3.223 1.00 62.23 N ATOM 2126 CA THR A 148 -8.233 2.498 -4.626 1.00 41.25 C ATOM 2127 C THR A 148 -7.070 1.655 -5.102 1.00 24.12 C ATOM 2128 O THR A 148 -5.916 1.954 -4.799 1.00 32.20 O ATOM 2129 CB THR A 148 -8.288 3.847 -5.384 1.00 13.23 C ATOM 2130 OG1 THR A 148 -9.398 4.606 -4.892 1.00 4.23 O ATOM 2131 CG2 THR A 148 -8.475 3.632 -6.870 1.00 44.24 C ATOM 0 H THR A 148 -7.169 2.959 -2.918 1.00 62.23 H new ATOM 0 HA THR A 148 -9.165 1.971 -4.832 1.00 41.25 H new ATOM 0 HB THR A 148 -7.347 4.374 -5.222 1.00 13.23 H new ATOM 0 HG1 THR A 148 -9.540 5.387 -5.466 1.00 4.23 H new ATOM 0 HG21 THR A 148 -8.510 4.597 -7.376 1.00 44.24 H new ATOM 0 HG22 THR A 148 -7.642 3.047 -7.261 1.00 44.24 H new ATOM 0 HG23 THR A 148 -9.408 3.096 -7.046 1.00 44.24 H new ATOM 2137 N VAL A 149 -7.363 0.593 -5.802 1.00 31.02 N ATOM 2138 CA VAL A 149 -6.328 -0.237 -6.306 1.00 71.01 C ATOM 2139 C VAL A 149 -6.141 0.039 -7.762 1.00 52.20 C ATOM 2140 O VAL A 149 -7.112 0.090 -8.539 1.00 53.32 O ATOM 2141 CB VAL A 149 -6.549 -1.773 -6.068 1.00 43.23 C ATOM 2142 CG1 VAL A 149 -6.735 -2.085 -4.604 1.00 20.24 C ATOM 2143 CG2 VAL A 149 -7.687 -2.343 -6.892 1.00 52.13 C ATOM 0 H VAL A 149 -8.310 0.291 -6.030 1.00 31.02 H new ATOM 0 HA VAL A 149 -5.430 0.015 -5.742 1.00 71.01 H new ATOM 0 HB VAL A 149 -5.638 -2.264 -6.410 1.00 43.23 H new ATOM 0 HG11 VAL A 149 -6.885 -3.157 -4.477 1.00 20.24 H new ATOM 0 HG12 VAL A 149 -5.849 -1.775 -4.050 1.00 20.24 H new ATOM 0 HG13 VAL A 149 -7.605 -1.549 -4.225 1.00 20.24 H new ATOM 0 HG21 VAL A 149 -7.790 -3.408 -6.683 1.00 52.13 H new ATOM 0 HG22 VAL A 149 -8.614 -1.832 -6.634 1.00 52.13 H new ATOM 0 HG23 VAL A 149 -7.476 -2.200 -7.952 1.00 52.13 H new ATOM 2149 N TYR A 150 -4.942 0.273 -8.127 1.00 62.22 N ATOM 2150 CA TYR A 150 -4.624 0.462 -9.489 1.00 63.01 C ATOM 2151 C TYR A 150 -4.187 -0.840 -10.053 1.00 45.22 C ATOM 2152 O TYR A 150 -3.247 -1.480 -9.562 1.00 33.51 O ATOM 2153 CB TYR A 150 -3.617 1.584 -9.693 1.00 65.03 C ATOM 2154 CG TYR A 150 -4.234 2.957 -9.514 1.00 65.12 C ATOM 2155 CD1 TYR A 150 -4.623 3.423 -8.263 1.00 55.33 C ATOM 2156 CD2 TYR A 150 -4.456 3.770 -10.608 1.00 31.02 C ATOM 2157 CE1 TYR A 150 -5.209 4.664 -8.119 1.00 30.35 C ATOM 2158 CE2 TYR A 150 -5.041 5.006 -10.472 1.00 34.10 C ATOM 2159 CZ TYR A 150 -5.415 5.452 -9.231 1.00 14.42 C ATOM 2160 OH TYR A 150 -6.008 6.690 -9.102 1.00 32.40 O ATOM 0 H TYR A 150 -4.149 0.340 -7.489 1.00 62.22 H new ATOM 0 HA TYR A 150 -5.508 0.793 -10.034 1.00 63.01 H new ATOM 0 HB2 TYR A 150 -2.796 1.463 -8.987 1.00 65.03 H new ATOM 0 HB3 TYR A 150 -3.191 1.508 -10.693 1.00 65.03 H new ATOM 0 HD1 TYR A 150 -4.464 2.805 -7.392 1.00 55.33 H new ATOM 0 HD2 TYR A 150 -4.164 3.428 -11.590 1.00 31.02 H new ATOM 0 HE1 TYR A 150 -5.504 5.016 -7.141 1.00 30.35 H new ATOM 0 HE2 TYR A 150 -5.206 5.625 -11.342 1.00 34.10 H new ATOM 0 HH TYR A 150 -6.077 7.113 -9.983 1.00 32.40 H new ATOM 2170 N THR A 151 -4.894 -1.248 -11.031 1.00 15.33 N ATOM 2171 CA THR A 151 -4.733 -2.514 -11.610 1.00 54.12 C ATOM 2172 C THR A 151 -4.204 -2.371 -13.029 1.00 71.13 C ATOM 2173 O THR A 151 -4.787 -1.669 -13.853 1.00 73.24 O ATOM 2174 CB THR A 151 -6.109 -3.201 -11.604 1.00 11.24 C ATOM 2175 OG1 THR A 151 -6.626 -3.157 -10.261 1.00 33.42 O ATOM 2176 CG2 THR A 151 -6.008 -4.637 -12.030 1.00 2.13 C ATOM 0 H THR A 151 -5.627 -0.687 -11.465 1.00 15.33 H new ATOM 0 HA THR A 151 -4.014 -3.112 -11.050 1.00 54.12 H new ATOM 0 HB THR A 151 -6.763 -2.681 -12.304 1.00 11.24 H new ATOM 0 HG1 THR A 151 -7.505 -3.589 -10.235 1.00 33.42 H new ATOM 0 HG21 THR A 151 -6.998 -5.092 -12.014 1.00 2.13 H new ATOM 0 HG22 THR A 151 -5.601 -4.689 -13.040 1.00 2.13 H new ATOM 0 HG23 THR A 151 -5.351 -5.174 -11.346 1.00 2.13 H new ATOM 2182 N LEU A 152 -3.093 -3.006 -13.290 1.00 11.23 N ATOM 2183 CA LEU A 152 -2.497 -3.001 -14.598 1.00 61.13 C ATOM 2184 C LEU A 152 -2.532 -4.388 -15.179 1.00 72.40 C ATOM 2185 O LEU A 152 -3.330 -4.632 -16.109 1.00 37.23 O ATOM 2186 CB LEU A 152 -1.069 -2.417 -14.609 1.00 43.44 C ATOM 2187 CG LEU A 152 -0.943 -0.932 -14.314 1.00 32.12 C ATOM 2188 CD1 LEU A 152 0.500 -0.487 -14.453 1.00 63.40 C ATOM 2189 CD2 LEU A 152 -1.823 -0.150 -15.246 1.00 33.24 C ATOM 2190 OXT LEU A 152 -1.818 -5.258 -14.675 1.00 37.23 O ATOM 0 H LEU A 152 -2.573 -3.544 -12.597 1.00 11.23 H new ATOM 0 HA LEU A 152 -3.090 -2.336 -15.226 1.00 61.13 H new ATOM 0 HB2 LEU A 152 -0.472 -2.962 -13.878 1.00 43.44 H new ATOM 0 HB3 LEU A 152 -0.629 -2.609 -15.588 1.00 43.44 H new ATOM 0 HG LEU A 152 -1.263 -0.747 -13.288 1.00 32.12 H new ATOM 0 HD11 LEU A 152 0.574 0.579 -14.239 1.00 63.40 H new ATOM 0 HD12 LEU A 152 1.121 -1.043 -13.751 1.00 63.40 H new ATOM 0 HD13 LEU A 152 0.843 -0.677 -15.470 1.00 63.40 H new ATOM 0 HD21 LEU A 152 -1.728 0.914 -15.029 1.00 33.24 H new ATOM 0 HD22 LEU A 152 -1.521 -0.339 -16.276 1.00 33.24 H new ATOM 0 HD23 LEU A 152 -2.860 -0.457 -15.110 1.00 33.24 H new