USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 801 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 150:sc= 0 USER MOD Single : A 8 THR OG1 : rot 148:sc= 0.0143 USER MOD Single : A 11 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.074) USER MOD Single : A 16 TYR OH : rot 180:sc=-0.00701 USER MOD Single : A 20 MET CE :methyl 147:sc= -2.17! (180deg=-4.83!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.689 K(o=-0.69,f=-6.9!) USER MOD Single : A 33 SER OG : rot -81:sc= 1.24 USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= 1.21 (180deg=1.14) USER MOD Single : A 40 LYS NZ :NH3+ -166:sc= 1.19 (180deg=1.14) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= -0.0166 (180deg=-0.227) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -2.41! K(o=-2.4!,f=0.0056) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 75 THR OG1 : rot -158:sc= 1.84 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc=-0.00038 (180deg=-0.164) USER MOD Single : A 82 MET CE :methyl 164:sc= -0.265 (180deg=-0.704) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 111:sc= 1.3 USER MOD Single : A 88 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0357) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.488 K(o=-0.49,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 91 N TYR A 7 2.085 -12.622 9.196 1.00 4.34 N ATOM 92 CA TYR A 7 0.923 -12.437 8.341 1.00 52.22 C ATOM 93 C TYR A 7 1.268 -11.710 7.044 1.00 74.45 C ATOM 94 O TYR A 7 2.428 -11.393 6.778 1.00 63.02 O ATOM 95 CB TYR A 7 -0.180 -11.694 9.099 1.00 63.13 C ATOM 96 CG TYR A 7 0.309 -10.534 9.942 1.00 62.40 C ATOM 97 CD1 TYR A 7 0.604 -9.303 9.374 1.00 62.10 C ATOM 98 CD2 TYR A 7 0.466 -10.675 11.317 1.00 25.50 C ATOM 99 CE1 TYR A 7 1.045 -8.247 10.150 1.00 22.02 C ATOM 100 CE2 TYR A 7 0.905 -9.624 12.097 1.00 1.31 C ATOM 101 CZ TYR A 7 1.191 -8.413 11.508 1.00 32.13 C ATOM 102 OH TYR A 7 1.631 -7.364 12.280 1.00 75.44 O ATOM 0 HA TYR A 7 0.562 -13.427 8.064 1.00 52.22 H new ATOM 0 HB2 TYR A 7 -0.910 -11.322 8.380 1.00 63.13 H new ATOM 0 HB3 TYR A 7 -0.700 -12.402 9.744 1.00 63.13 H new ATOM 0 HD1 TYR A 7 0.487 -9.167 8.309 1.00 62.10 H new ATOM 0 HD2 TYR A 7 0.241 -11.623 11.782 1.00 25.50 H new ATOM 0 HE1 TYR A 7 1.274 -7.296 9.692 1.00 22.02 H new ATOM 0 HE2 TYR A 7 1.023 -9.751 13.163 1.00 1.31 H new ATOM 0 HH TYR A 7 1.253 -7.440 13.181 1.00 75.44 H new ATOM 112 N THR A 8 0.246 -11.459 6.241 1.00 45.42 N ATOM 113 CA THR A 8 0.418 -10.869 4.925 1.00 2.44 C ATOM 114 C THR A 8 0.321 -9.350 4.980 1.00 53.11 C ATOM 115 O THR A 8 0.054 -8.774 6.036 1.00 72.34 O ATOM 116 CB THR A 8 -0.653 -11.410 3.966 1.00 42.42 C ATOM 117 OG1 THR A 8 -1.952 -11.192 4.534 1.00 12.04 O ATOM 118 CG2 THR A 8 -0.443 -12.895 3.711 1.00 21.10 C ATOM 0 H THR A 8 -0.724 -11.659 6.484 1.00 45.42 H new ATOM 0 HA THR A 8 1.411 -11.139 4.566 1.00 2.44 H new ATOM 0 HB THR A 8 -0.575 -10.884 3.015 1.00 42.42 H new ATOM 0 HG1 THR A 8 -2.603 -11.046 3.816 1.00 12.04 H new ATOM 0 HG21 THR A 8 -1.212 -13.259 3.029 1.00 21.10 H new ATOM 0 HG22 THR A 8 0.540 -13.052 3.267 1.00 21.10 H new ATOM 0 HG23 THR A 8 -0.507 -13.439 4.654 1.00 21.10 H new ATOM 126 N VAL A 9 0.534 -8.705 3.837 1.00 65.41 N ATOM 127 CA VAL A 9 0.420 -7.256 3.746 1.00 61.23 C ATOM 128 C VAL A 9 -1.011 -6.805 4.032 1.00 51.31 C ATOM 129 O VAL A 9 -1.231 -5.718 4.563 1.00 51.20 O ATOM 130 CB VAL A 9 0.866 -6.725 2.363 1.00 3.41 C ATOM 131 CG1 VAL A 9 2.339 -7.016 2.125 1.00 31.51 C ATOM 132 CG2 VAL A 9 0.019 -7.317 1.243 1.00 21.10 C ATOM 0 H VAL A 9 0.786 -9.164 2.962 1.00 65.41 H new ATOM 0 HA VAL A 9 1.088 -6.839 4.500 1.00 61.23 H new ATOM 0 HB VAL A 9 0.720 -5.645 2.360 1.00 3.41 H new ATOM 0 HG11 VAL A 9 2.632 -6.634 1.147 1.00 31.51 H new ATOM 0 HG12 VAL A 9 2.935 -6.530 2.897 1.00 31.51 H new ATOM 0 HG13 VAL A 9 2.507 -8.092 2.160 1.00 31.51 H new ATOM 0 HG21 VAL A 9 0.357 -6.924 0.284 1.00 21.10 H new ATOM 0 HG22 VAL A 9 0.119 -8.402 1.246 1.00 21.10 H new ATOM 0 HG23 VAL A 9 -1.026 -7.049 1.396 1.00 21.10 H new ATOM 142 N ALA A 10 -1.980 -7.660 3.699 1.00 14.32 N ATOM 143 CA ALA A 10 -3.384 -7.363 3.953 1.00 24.10 C ATOM 144 C ALA A 10 -3.657 -7.315 5.450 1.00 22.41 C ATOM 145 O ALA A 10 -4.394 -6.458 5.933 1.00 42.44 O ATOM 146 CB ALA A 10 -4.279 -8.397 3.283 1.00 3.31 C ATOM 0 H ALA A 10 -1.814 -8.562 3.253 1.00 14.32 H new ATOM 0 HA ALA A 10 -3.610 -6.385 3.529 1.00 24.10 H new ATOM 0 HB1 ALA A 10 -5.324 -8.159 3.484 1.00 3.31 H new ATOM 0 HB2 ALA A 10 -4.105 -8.387 2.207 1.00 3.31 H new ATOM 0 HB3 ALA A 10 -4.050 -9.387 3.678 1.00 3.31 H new ATOM 152 N GLN A 11 -3.040 -8.231 6.184 1.00 61.31 N ATOM 153 CA GLN A 11 -3.195 -8.271 7.630 1.00 65.42 C ATOM 154 C GLN A 11 -2.350 -7.187 8.287 1.00 25.43 C ATOM 155 O GLN A 11 -2.723 -6.644 9.328 1.00 34.21 O ATOM 156 CB GLN A 11 -2.808 -9.643 8.184 1.00 75.12 C ATOM 157 CG GLN A 11 -3.660 -10.789 7.660 1.00 12.12 C ATOM 158 CD GLN A 11 -5.134 -10.639 7.990 1.00 63.21 C ATOM 159 OE1 GLN A 11 -5.992 -11.116 7.248 1.00 52.12 O ATOM 160 NE2 GLN A 11 -5.437 -9.989 9.104 1.00 71.22 N ATOM 0 H GLN A 11 -2.430 -8.954 5.803 1.00 61.31 H new ATOM 0 HA GLN A 11 -4.245 -8.090 7.860 1.00 65.42 H new ATOM 0 HB2 GLN A 11 -1.764 -9.840 7.940 1.00 75.12 H new ATOM 0 HB3 GLN A 11 -2.882 -9.618 9.271 1.00 75.12 H new ATOM 0 HG2 GLN A 11 -3.542 -10.856 6.579 1.00 12.12 H new ATOM 0 HG3 GLN A 11 -3.294 -11.726 8.079 1.00 12.12 H new ATOM 0 HE21 GLN A 11 -4.694 -9.609 9.691 1.00 71.22 H new ATOM 0 HE22 GLN A 11 -6.413 -9.869 9.375 1.00 71.22 H new ATOM 169 N LEU A 12 -1.215 -6.873 7.674 1.00 33.13 N ATOM 170 CA LEU A 12 -0.344 -5.821 8.176 1.00 21.51 C ATOM 171 C LEU A 12 -1.061 -4.480 8.089 1.00 44.43 C ATOM 172 O LEU A 12 -1.117 -3.729 9.064 1.00 2.35 O ATOM 173 CB LEU A 12 0.971 -5.798 7.379 1.00 35.04 C ATOM 174 CG LEU A 12 2.101 -4.937 7.966 1.00 13.31 C ATOM 175 CD1 LEU A 12 3.447 -5.394 7.428 1.00 31.11 C ATOM 176 CD2 LEU A 12 1.898 -3.465 7.638 1.00 0.12 C ATOM 0 H LEU A 12 -0.877 -7.333 6.828 1.00 33.13 H new ATOM 0 HA LEU A 12 -0.101 -6.017 9.220 1.00 21.51 H new ATOM 0 HB2 LEU A 12 1.333 -6.822 7.284 1.00 35.04 H new ATOM 0 HB3 LEU A 12 0.756 -5.442 6.372 1.00 35.04 H new ATOM 0 HG LEU A 12 2.082 -5.058 9.049 1.00 13.31 H new ATOM 0 HD11 LEU A 12 4.238 -4.775 7.852 1.00 31.11 H new ATOM 0 HD12 LEU A 12 3.614 -6.435 7.703 1.00 31.11 H new ATOM 0 HD13 LEU A 12 3.456 -5.300 6.342 1.00 31.11 H new ATOM 0 HD21 LEU A 12 2.713 -2.881 8.066 1.00 0.12 H new ATOM 0 HD22 LEU A 12 1.886 -3.332 6.556 1.00 0.12 H new ATOM 0 HD23 LEU A 12 0.950 -3.126 8.056 1.00 0.12 H new ATOM 188 N ALA A 13 -1.631 -4.199 6.920 1.00 4.13 N ATOM 189 CA ALA A 13 -2.376 -2.969 6.704 1.00 1.51 C ATOM 190 C ALA A 13 -3.595 -2.905 7.616 1.00 61.50 C ATOM 191 O ALA A 13 -4.010 -1.827 8.029 1.00 53.01 O ATOM 192 CB ALA A 13 -2.801 -2.851 5.249 1.00 14.31 C ATOM 0 H ALA A 13 -1.589 -4.812 6.106 1.00 4.13 H new ATOM 0 HA ALA A 13 -1.722 -2.131 6.946 1.00 1.51 H new ATOM 0 HB1 ALA A 13 -3.357 -1.925 5.106 1.00 14.31 H new ATOM 0 HB2 ALA A 13 -1.917 -2.845 4.611 1.00 14.31 H new ATOM 0 HB3 ALA A 13 -3.434 -3.698 4.985 1.00 14.31 H new ATOM 198 N ASP A 14 -4.146 -4.069 7.935 1.00 43.24 N ATOM 199 CA ASP A 14 -5.321 -4.168 8.796 1.00 70.42 C ATOM 200 C ASP A 14 -5.029 -3.597 10.188 1.00 5.12 C ATOM 201 O ASP A 14 -5.803 -2.803 10.722 1.00 51.41 O ATOM 202 CB ASP A 14 -5.755 -5.633 8.906 1.00 22.41 C ATOM 203 CG ASP A 14 -7.100 -5.813 9.582 1.00 4.10 C ATOM 204 OD1 ASP A 14 -7.175 -5.696 10.822 1.00 60.15 O ATOM 205 OD2 ASP A 14 -8.088 -6.105 8.873 1.00 62.35 O ATOM 0 H ASP A 14 -3.794 -4.968 7.607 1.00 43.24 H new ATOM 0 HA ASP A 14 -6.128 -3.583 8.354 1.00 70.42 H new ATOM 0 HB2 ASP A 14 -5.797 -6.068 7.907 1.00 22.41 H new ATOM 0 HB3 ASP A 14 -5.000 -6.187 9.463 1.00 22.41 H new ATOM 210 N GLU A 15 -3.903 -3.990 10.771 1.00 71.02 N ATOM 211 CA GLU A 15 -3.524 -3.476 12.081 1.00 14.45 C ATOM 212 C GLU A 15 -2.950 -2.064 11.951 1.00 62.11 C ATOM 213 O GLU A 15 -3.162 -1.206 12.815 1.00 21.25 O ATOM 214 CB GLU A 15 -2.524 -4.413 12.768 1.00 3.43 C ATOM 215 CG GLU A 15 -2.220 -4.009 14.198 1.00 43.41 C ATOM 216 CD GLU A 15 -1.430 -5.054 14.957 1.00 13.12 C ATOM 217 OE1 GLU A 15 -2.038 -6.045 15.417 1.00 22.12 O ATOM 218 OE2 GLU A 15 -0.209 -4.875 15.125 1.00 10.02 O ATOM 0 H GLU A 15 -3.244 -4.654 10.364 1.00 71.02 H new ATOM 0 HA GLU A 15 -4.417 -3.428 12.704 1.00 14.45 H new ATOM 0 HB2 GLU A 15 -2.921 -5.428 12.760 1.00 3.43 H new ATOM 0 HB3 GLU A 15 -1.597 -4.428 12.196 1.00 3.43 H new ATOM 0 HG2 GLU A 15 -1.662 -3.073 14.194 1.00 43.41 H new ATOM 0 HG3 GLU A 15 -3.157 -3.819 14.722 1.00 43.41 H new ATOM 225 N TYR A 16 -2.243 -1.823 10.852 1.00 52.10 N ATOM 226 CA TYR A 16 -1.642 -0.522 10.589 1.00 51.32 C ATOM 227 C TYR A 16 -2.701 0.567 10.418 1.00 70.45 C ATOM 228 O TYR A 16 -2.588 1.641 11.011 1.00 12.14 O ATOM 229 CB TYR A 16 -0.737 -0.585 9.349 1.00 54.12 C ATOM 230 CG TYR A 16 -0.422 0.773 8.759 1.00 65.21 C ATOM 231 CD1 TYR A 16 0.344 1.700 9.453 1.00 54.02 C ATOM 232 CD2 TYR A 16 -0.915 1.133 7.512 1.00 71.14 C ATOM 233 CE1 TYR A 16 0.602 2.951 8.922 1.00 35.14 C ATOM 234 CE2 TYR A 16 -0.654 2.376 6.974 1.00 0.55 C ATOM 235 CZ TYR A 16 0.102 3.280 7.681 1.00 23.03 C ATOM 236 OH TYR A 16 0.342 4.525 7.148 1.00 73.45 O ATOM 0 H TYR A 16 -2.072 -2.518 10.125 1.00 52.10 H new ATOM 0 HA TYR A 16 -1.036 -0.262 11.457 1.00 51.32 H new ATOM 0 HB2 TYR A 16 0.196 -1.081 9.615 1.00 54.12 H new ATOM 0 HB3 TYR A 16 -1.219 -1.199 8.589 1.00 54.12 H new ATOM 0 HD1 TYR A 16 0.744 1.440 10.422 1.00 54.02 H new ATOM 0 HD2 TYR A 16 -1.513 0.428 6.954 1.00 71.14 H new ATOM 0 HE1 TYR A 16 1.192 3.666 9.477 1.00 35.14 H new ATOM 0 HE2 TYR A 16 -1.042 2.638 6.001 1.00 0.55 H new ATOM 0 HH TYR A 16 -0.081 4.591 6.266 1.00 73.45 H new ATOM 246 N PHE A 17 -3.733 0.294 9.622 1.00 51.14 N ATOM 247 CA PHE A 17 -4.737 1.307 9.328 1.00 4.23 C ATOM 248 C PHE A 17 -5.512 1.659 10.587 1.00 50.35 C ATOM 249 O PHE A 17 -5.959 2.785 10.742 1.00 74.14 O ATOM 250 CB PHE A 17 -5.670 0.867 8.176 1.00 44.21 C ATOM 251 CG PHE A 17 -6.972 0.219 8.583 1.00 21.24 C ATOM 252 CD1 PHE A 17 -8.080 0.995 8.893 1.00 45.21 C ATOM 253 CD2 PHE A 17 -7.093 -1.157 8.635 1.00 63.11 C ATOM 254 CE1 PHE A 17 -9.280 0.407 9.250 1.00 45.52 C ATOM 255 CE2 PHE A 17 -8.288 -1.749 8.990 1.00 43.13 C ATOM 256 CZ PHE A 17 -9.382 -0.967 9.300 1.00 42.35 C ATOM 0 H PHE A 17 -3.893 -0.609 9.175 1.00 51.14 H new ATOM 0 HA PHE A 17 -4.227 2.207 8.985 1.00 4.23 H new ATOM 0 HB2 PHE A 17 -5.898 1.742 7.567 1.00 44.21 H new ATOM 0 HB3 PHE A 17 -5.124 0.170 7.540 1.00 44.21 H new ATOM 0 HD1 PHE A 17 -8.004 2.072 8.855 1.00 45.21 H new ATOM 0 HD2 PHE A 17 -6.242 -1.777 8.395 1.00 63.11 H new ATOM 0 HE1 PHE A 17 -10.135 1.022 9.489 1.00 45.52 H new ATOM 0 HE2 PHE A 17 -8.367 -2.826 9.025 1.00 43.13 H new ATOM 0 HZ PHE A 17 -10.316 -1.430 9.581 1.00 42.35 H new ATOM 266 N GLU A 18 -5.631 0.709 11.506 1.00 72.45 N ATOM 267 CA GLU A 18 -6.308 0.962 12.772 1.00 12.50 C ATOM 268 C GLU A 18 -5.578 2.043 13.568 1.00 13.01 C ATOM 269 O GLU A 18 -6.200 2.859 14.242 1.00 21.32 O ATOM 270 CB GLU A 18 -6.390 -0.315 13.604 1.00 61.44 C ATOM 271 CG GLU A 18 -7.123 -0.126 14.923 1.00 62.51 C ATOM 272 CD GLU A 18 -7.054 -1.340 15.817 1.00 21.14 C ATOM 273 OE1 GLU A 18 -7.871 -2.264 15.632 1.00 15.41 O ATOM 274 OE2 GLU A 18 -6.193 -1.367 16.719 1.00 34.52 O ATOM 0 H GLU A 18 -5.270 -0.239 11.400 1.00 72.45 H new ATOM 0 HA GLU A 18 -7.318 1.306 12.547 1.00 12.50 H new ATOM 0 HB2 GLU A 18 -6.894 -1.087 13.023 1.00 61.44 H new ATOM 0 HB3 GLU A 18 -5.381 -0.675 13.805 1.00 61.44 H new ATOM 0 HG2 GLU A 18 -6.699 0.730 15.448 1.00 62.51 H new ATOM 0 HG3 GLU A 18 -8.168 0.110 14.721 1.00 62.51 H new ATOM 281 N ARG A 19 -4.256 2.056 13.468 1.00 74.03 N ATOM 282 CA ARG A 19 -3.442 3.008 14.217 1.00 61.04 C ATOM 283 C ARG A 19 -3.607 4.428 13.684 1.00 75.42 C ATOM 284 O ARG A 19 -3.453 5.398 14.425 1.00 72.22 O ATOM 285 CB ARG A 19 -1.966 2.601 14.177 1.00 50.23 C ATOM 286 CG ARG A 19 -1.513 1.780 15.377 1.00 53.14 C ATOM 287 CD ARG A 19 -2.302 0.488 15.529 1.00 44.42 C ATOM 288 NE ARG A 19 -1.864 -0.273 16.697 1.00 24.45 N ATOM 289 CZ ARG A 19 -2.403 -1.420 17.099 1.00 45.12 C ATOM 290 NH1 ARG A 19 -3.416 -1.962 16.436 1.00 34.22 N ATOM 291 NH2 ARG A 19 -1.921 -2.023 18.178 1.00 74.24 N ATOM 0 H ARG A 19 -3.723 1.419 12.876 1.00 74.03 H new ATOM 0 HA ARG A 19 -3.788 2.993 15.250 1.00 61.04 H new ATOM 0 HB2 ARG A 19 -1.783 2.027 13.268 1.00 50.23 H new ATOM 0 HB3 ARG A 19 -1.354 3.501 14.114 1.00 50.23 H new ATOM 0 HG2 ARG A 19 -0.454 1.545 15.274 1.00 53.14 H new ATOM 0 HG3 ARG A 19 -1.620 2.377 16.283 1.00 53.14 H new ATOM 0 HD2 ARG A 19 -3.364 0.717 15.620 1.00 44.42 H new ATOM 0 HD3 ARG A 19 -2.183 -0.120 14.632 1.00 44.42 H new ATOM 0 HE ARG A 19 -1.089 0.103 17.243 1.00 24.45 H new ATOM 0 HH11 ARG A 19 -3.790 -1.498 15.608 1.00 34.22 H new ATOM 0 HH12 ARG A 19 -3.821 -2.842 16.754 1.00 34.22 H new ATOM 0 HH21 ARG A 19 -1.144 -1.606 18.691 1.00 74.24 H new ATOM 0 HH22 ARG A 19 -2.327 -2.903 18.495 1.00 74.24 H new ATOM 305 N MET A 20 -3.927 4.551 12.403 1.00 73.11 N ATOM 306 CA MET A 20 -4.089 5.864 11.784 1.00 61.34 C ATOM 307 C MET A 20 -5.561 6.253 11.705 1.00 51.45 C ATOM 308 O MET A 20 -5.913 7.432 11.751 1.00 21.44 O ATOM 309 CB MET A 20 -3.486 5.867 10.375 1.00 33.54 C ATOM 310 CG MET A 20 -1.972 5.677 10.328 1.00 31.24 C ATOM 311 SD MET A 20 -1.046 7.197 10.663 1.00 74.44 S ATOM 312 CE MET A 20 -1.317 7.419 12.420 1.00 31.54 C ATOM 0 H MET A 20 -4.079 3.763 11.773 1.00 73.11 H new ATOM 0 HA MET A 20 -3.566 6.592 12.405 1.00 61.34 H new ATOM 0 HB2 MET A 20 -3.956 5.075 9.792 1.00 33.54 H new ATOM 0 HB3 MET A 20 -3.735 6.811 9.890 1.00 33.54 H new ATOM 0 HG2 MET A 20 -1.686 4.918 11.056 1.00 31.24 H new ATOM 0 HG3 MET A 20 -1.691 5.298 9.345 1.00 31.24 H new ATOM 0 HE1 MET A 20 -0.436 7.878 12.869 1.00 31.54 H new ATOM 0 HE2 MET A 20 -2.182 8.064 12.576 1.00 31.54 H new ATOM 0 HE3 MET A 20 -1.498 6.450 12.885 1.00 31.54 H new ATOM 322 N ILE A 21 -6.416 5.248 11.620 1.00 12.02 N ATOM 323 CA ILE A 21 -7.843 5.453 11.431 1.00 24.22 C ATOM 324 C ILE A 21 -8.595 5.133 12.731 1.00 14.25 C ATOM 325 O ILE A 21 -9.578 4.392 12.754 1.00 22.41 O ATOM 326 CB ILE A 21 -8.352 4.580 10.247 1.00 63.41 C ATOM 327 CG1 ILE A 21 -7.504 4.845 8.997 1.00 71.13 C ATOM 328 CG2 ILE A 21 -9.818 4.845 9.935 1.00 43.01 C ATOM 329 CD1 ILE A 21 -7.538 6.285 8.521 1.00 33.11 C ATOM 0 H ILE A 21 -6.141 4.268 11.680 1.00 12.02 H new ATOM 0 HA ILE A 21 -8.032 6.497 11.183 1.00 24.22 H new ATOM 0 HB ILE A 21 -8.256 3.536 10.545 1.00 63.41 H new ATOM 0 HG12 ILE A 21 -6.471 4.567 9.206 1.00 71.13 H new ATOM 0 HG13 ILE A 21 -7.852 4.199 8.191 1.00 71.13 H new ATOM 0 HG21 ILE A 21 -10.132 4.215 9.103 1.00 43.01 H new ATOM 0 HG22 ILE A 21 -10.424 4.617 10.812 1.00 43.01 H new ATOM 0 HG23 ILE A 21 -9.949 5.893 9.667 1.00 43.01 H new ATOM 0 HD11 ILE A 21 -6.914 6.390 7.634 1.00 33.11 H new ATOM 0 HD12 ILE A 21 -8.563 6.564 8.278 1.00 33.11 H new ATOM 0 HD13 ILE A 21 -7.161 6.938 9.309 1.00 33.11 H new ATOM 341 N ALA A 22 -8.104 5.703 13.822 1.00 43.20 N ATOM 342 CA ALA A 22 -8.730 5.533 15.124 1.00 64.22 C ATOM 343 C ALA A 22 -9.065 6.887 15.734 1.00 70.21 C ATOM 344 O ALA A 22 -8.631 7.929 15.229 1.00 74.41 O ATOM 345 CB ALA A 22 -7.819 4.749 16.056 1.00 30.24 C ATOM 0 H ALA A 22 -7.270 6.290 13.830 1.00 43.20 H new ATOM 0 HA ALA A 22 -9.655 4.972 14.989 1.00 64.22 H new ATOM 0 HB1 ALA A 22 -8.304 4.632 17.025 1.00 30.24 H new ATOM 0 HB2 ALA A 22 -7.620 3.766 15.629 1.00 30.24 H new ATOM 0 HB3 ALA A 22 -6.879 5.286 16.183 1.00 30.24 H new ATOM 351 N GLY A 23 -9.832 6.872 16.816 1.00 41.00 N ATOM 352 CA GLY A 23 -10.219 8.103 17.483 1.00 23.44 C ATOM 353 C GLY A 23 -11.336 8.823 16.758 1.00 2.23 C ATOM 354 O GLY A 23 -12.457 8.917 17.257 1.00 44.51 O ATOM 0 H GLY A 23 -10.196 6.023 17.248 1.00 41.00 H new ATOM 0 HA2 GLY A 23 -10.536 7.878 18.501 1.00 23.44 H new ATOM 0 HA3 GLY A 23 -9.353 8.761 17.557 1.00 23.44 H new ATOM 358 N ARG A 24 -11.034 9.313 15.568 1.00 0.33 N ATOM 359 CA ARG A 24 -12.003 9.996 14.744 1.00 53.41 C ATOM 360 C ARG A 24 -11.592 9.884 13.292 1.00 71.23 C ATOM 361 O ARG A 24 -10.492 10.275 12.900 1.00 70.33 O ATOM 362 CB ARG A 24 -12.166 11.464 15.132 1.00 23.31 C ATOM 363 CG ARG A 24 -10.869 12.243 15.179 1.00 4.05 C ATOM 364 CD ARG A 24 -11.126 13.708 14.907 1.00 42.00 C ATOM 365 NE ARG A 24 -10.062 14.558 15.431 1.00 60.20 N ATOM 366 CZ ARG A 24 -9.340 15.397 14.690 1.00 34.52 C ATOM 367 NH1 ARG A 24 -9.524 15.459 13.376 1.00 2.41 N ATOM 368 NH2 ARG A 24 -8.417 16.154 15.263 1.00 34.40 N ATOM 0 H ARG A 24 -10.106 9.246 15.149 1.00 0.33 H new ATOM 0 HA ARG A 24 -12.970 9.517 14.900 1.00 53.41 H new ATOM 0 HB2 ARG A 24 -12.839 11.943 14.421 1.00 23.31 H new ATOM 0 HB3 ARG A 24 -12.645 11.518 16.110 1.00 23.31 H new ATOM 0 HG2 ARG A 24 -10.401 12.124 16.156 1.00 4.05 H new ATOM 0 HG3 ARG A 24 -10.172 11.846 14.441 1.00 4.05 H new ATOM 0 HD2 ARG A 24 -11.220 13.866 13.833 1.00 42.00 H new ATOM 0 HD3 ARG A 24 -12.076 13.999 15.356 1.00 42.00 H new ATOM 0 HE ARG A 24 -9.858 14.506 16.429 1.00 60.20 H new ATOM 0 HH11 ARG A 24 -10.221 14.862 12.930 1.00 2.41 H new ATOM 0 HH12 ARG A 24 -8.969 16.103 12.813 1.00 2.41 H new ATOM 0 HH21 ARG A 24 -8.260 16.094 16.269 1.00 34.40 H new ATOM 0 HH22 ARG A 24 -7.862 16.797 14.698 1.00 34.40 H new ATOM 382 N TRP A 25 -12.471 9.310 12.518 1.00 34.12 N ATOM 383 CA TRP A 25 -12.216 9.065 11.110 1.00 33.20 C ATOM 384 C TRP A 25 -13.501 9.195 10.296 1.00 64.24 C ATOM 385 O TRP A 25 -13.515 9.859 9.260 1.00 70.13 O ATOM 386 CB TRP A 25 -11.591 7.672 10.918 1.00 61.21 C ATOM 387 CG TRP A 25 -12.493 6.547 11.328 1.00 13.22 C ATOM 388 CD1 TRP A 25 -13.196 5.724 10.500 1.00 22.55 C ATOM 389 CD2 TRP A 25 -12.805 6.134 12.666 1.00 31.11 C ATOM 390 NE1 TRP A 25 -13.930 4.834 11.237 1.00 12.15 N ATOM 391 CE2 TRP A 25 -13.702 5.059 12.567 1.00 1.22 C ATOM 392 CE3 TRP A 25 -12.409 6.564 13.937 1.00 71.41 C ATOM 393 CZ2 TRP A 25 -14.217 4.414 13.686 1.00 22.52 C ATOM 394 CZ3 TRP A 25 -12.922 5.925 15.046 1.00 2.04 C ATOM 395 CH2 TRP A 25 -13.814 4.859 14.913 1.00 54.22 C ATOM 0 H TRP A 25 -13.387 8.996 12.838 1.00 34.12 H new ATOM 0 HA TRP A 25 -11.512 9.815 10.751 1.00 33.20 H new ATOM 0 HB2 TRP A 25 -11.320 7.546 9.870 1.00 61.21 H new ATOM 0 HB3 TRP A 25 -10.668 7.615 11.495 1.00 61.21 H new ATOM 0 HD1 TRP A 25 -13.177 5.768 9.421 1.00 22.55 H new ATOM 0 HE1 TRP A 25 -14.548 4.118 10.856 1.00 12.15 H new ATOM 0 HE3 TRP A 25 -11.713 7.383 14.048 1.00 71.41 H new ATOM 0 HZ2 TRP A 25 -14.910 3.591 13.589 1.00 22.52 H new ATOM 0 HZ3 TRP A 25 -12.629 6.254 16.032 1.00 2.04 H new ATOM 0 HH2 TRP A 25 -14.194 4.375 15.801 1.00 54.22 H new ATOM 406 N LYS A 26 -14.578 8.584 10.805 1.00 35.40 N ATOM 407 CA LYS A 26 -15.860 8.504 10.100 1.00 31.12 C ATOM 408 C LYS A 26 -15.756 7.661 8.832 1.00 2.42 C ATOM 409 O LYS A 26 -14.895 7.888 7.984 1.00 11.31 O ATOM 410 CB LYS A 26 -16.433 9.890 9.789 1.00 21.24 C ATOM 411 CG LYS A 26 -17.244 10.461 10.935 1.00 65.31 C ATOM 412 CD LYS A 26 -18.304 9.466 11.378 1.00 42.34 C ATOM 413 CE LYS A 26 -19.199 10.029 12.461 1.00 3.14 C ATOM 414 NZ LYS A 26 -20.193 9.027 12.928 1.00 13.44 N ATOM 0 H LYS A 26 -14.583 8.131 11.719 1.00 35.40 H new ATOM 0 HA LYS A 26 -16.556 8.006 10.776 1.00 31.12 H new ATOM 0 HB2 LYS A 26 -15.616 10.572 9.553 1.00 21.24 H new ATOM 0 HB3 LYS A 26 -17.062 9.827 8.901 1.00 21.24 H new ATOM 0 HG2 LYS A 26 -16.587 10.699 11.771 1.00 65.31 H new ATOM 0 HG3 LYS A 26 -17.717 11.393 10.626 1.00 65.31 H new ATOM 0 HD2 LYS A 26 -18.912 9.179 10.520 1.00 42.34 H new ATOM 0 HD3 LYS A 26 -17.820 8.560 11.743 1.00 42.34 H new ATOM 0 HE2 LYS A 26 -18.589 10.357 13.303 1.00 3.14 H new ATOM 0 HE3 LYS A 26 -19.719 10.909 12.082 1.00 3.14 H new ATOM 0 HZ1 LYS A 26 -20.788 9.448 13.669 1.00 13.44 H new ATOM 0 HZ2 LYS A 26 -20.791 8.733 12.129 1.00 13.44 H new ATOM 0 HZ3 LYS A 26 -19.696 8.198 13.312 1.00 13.44 H new ATOM 428 N HIS A 27 -16.656 6.687 8.724 1.00 55.32 N ATOM 429 CA HIS A 27 -16.644 5.715 7.631 1.00 62.35 C ATOM 430 C HIS A 27 -15.368 4.879 7.661 1.00 24.21 C ATOM 431 O HIS A 27 -14.395 5.193 6.983 1.00 21.10 O ATOM 432 CB HIS A 27 -16.779 6.389 6.257 1.00 3.24 C ATOM 433 CG HIS A 27 -18.095 7.059 6.024 1.00 34.00 C ATOM 434 ND1 HIS A 27 -18.221 8.244 5.335 1.00 71.24 N ATOM 435 CD2 HIS A 27 -19.350 6.691 6.369 1.00 41.22 C ATOM 436 CE1 HIS A 27 -19.496 8.576 5.268 1.00 40.20 C ATOM 437 NE2 HIS A 27 -20.206 7.651 5.887 1.00 50.44 N ATOM 0 H HIS A 27 -17.415 6.548 9.391 1.00 55.32 H new ATOM 0 HA HIS A 27 -17.508 5.067 7.780 1.00 62.35 H new ATOM 0 HB2 HIS A 27 -15.985 7.128 6.149 1.00 3.24 H new ATOM 0 HB3 HIS A 27 -16.625 5.639 5.481 1.00 3.24 H new ATOM 0 HD2 HIS A 27 -19.628 5.806 6.922 1.00 41.22 H new ATOM 0 HE1 HIS A 27 -19.893 9.458 4.787 1.00 40.20 H new ATOM 0 HE2 HIS A 27 -21.221 7.649 5.990 1.00 50.44 H new ATOM 446 N PRO A 28 -15.347 3.792 8.446 1.00 1.23 N ATOM 447 CA PRO A 28 -14.182 2.910 8.515 1.00 35.24 C ATOM 448 C PRO A 28 -13.941 2.223 7.176 1.00 62.14 C ATOM 449 O PRO A 28 -12.831 1.788 6.866 1.00 55.41 O ATOM 450 CB PRO A 28 -14.558 1.873 9.583 1.00 4.10 C ATOM 451 CG PRO A 28 -15.749 2.430 10.288 1.00 74.55 C ATOM 452 CD PRO A 28 -16.444 3.328 9.305 1.00 43.20 C ATOM 0 HA PRO A 28 -13.267 3.452 8.753 1.00 35.24 H new ATOM 0 HB2 PRO A 28 -14.788 0.909 9.129 1.00 4.10 H new ATOM 0 HB3 PRO A 28 -13.734 1.710 10.277 1.00 4.10 H new ATOM 0 HG2 PRO A 28 -16.412 1.631 10.620 1.00 74.55 H new ATOM 0 HG3 PRO A 28 -15.449 2.986 11.177 1.00 74.55 H new ATOM 0 HD2 PRO A 28 -17.203 2.792 8.735 1.00 43.20 H new ATOM 0 HD3 PRO A 28 -16.946 4.158 9.802 1.00 43.20 H new ATOM 460 N ASN A 29 -14.999 2.153 6.381 1.00 55.13 N ATOM 461 CA ASN A 29 -14.953 1.514 5.075 1.00 13.11 C ATOM 462 C ASN A 29 -14.294 2.407 4.027 1.00 54.21 C ATOM 463 O ASN A 29 -13.823 1.913 3.005 1.00 42.52 O ATOM 464 CB ASN A 29 -16.366 1.116 4.615 1.00 24.14 C ATOM 465 CG ASN A 29 -17.367 2.265 4.643 1.00 3.32 C ATOM 466 OD1 ASN A 29 -17.008 3.436 4.525 1.00 41.34 O ATOM 467 ND2 ASN A 29 -18.640 1.936 4.794 1.00 33.02 N ATOM 0 H ASN A 29 -15.912 2.537 6.623 1.00 55.13 H new ATOM 0 HA ASN A 29 -14.345 0.615 5.178 1.00 13.11 H new ATOM 0 HB2 ASN A 29 -16.310 0.720 3.601 1.00 24.14 H new ATOM 0 HB3 ASN A 29 -16.733 0.311 5.252 1.00 24.14 H new ATOM 0 HD21 ASN A 29 -19.356 2.663 4.815 1.00 33.02 H new ATOM 0 HD22 ASN A 29 -18.906 0.956 4.889 1.00 33.02 H new ATOM 474 N ILE A 30 -14.237 3.713 4.284 1.00 12.34 N ATOM 475 CA ILE A 30 -13.724 4.655 3.293 1.00 4.52 C ATOM 476 C ILE A 30 -12.224 4.433 3.095 1.00 3.44 C ATOM 477 O ILE A 30 -11.713 4.512 1.978 1.00 20.14 O ATOM 478 CB ILE A 30 -14.042 6.133 3.689 1.00 11.01 C ATOM 479 CG1 ILE A 30 -14.104 7.052 2.450 1.00 32.03 C ATOM 480 CG2 ILE A 30 -13.034 6.677 4.696 1.00 61.21 C ATOM 481 CD1 ILE A 30 -12.759 7.386 1.827 1.00 52.44 C ATOM 0 H ILE A 30 -14.537 4.139 5.161 1.00 12.34 H new ATOM 0 HA ILE A 30 -14.228 4.471 2.344 1.00 4.52 H new ATOM 0 HB ILE A 30 -15.025 6.126 4.161 1.00 11.01 H new ATOM 0 HG12 ILE A 30 -14.729 6.575 1.694 1.00 32.03 H new ATOM 0 HG13 ILE A 30 -14.598 7.982 2.731 1.00 32.03 H new ATOM 0 HG21 ILE A 30 -13.289 7.707 4.946 1.00 61.21 H new ATOM 0 HG22 ILE A 30 -13.057 6.068 5.599 1.00 61.21 H new ATOM 0 HG23 ILE A 30 -12.034 6.646 4.263 1.00 61.21 H new ATOM 0 HD11 ILE A 30 -12.909 8.036 0.965 1.00 52.44 H new ATOM 0 HD12 ILE A 30 -12.135 7.895 2.561 1.00 52.44 H new ATOM 0 HD13 ILE A 30 -12.268 6.467 1.508 1.00 52.44 H new ATOM 493 N VAL A 31 -11.530 4.099 4.174 1.00 33.10 N ATOM 494 CA VAL A 31 -10.103 3.846 4.096 1.00 23.14 C ATOM 495 C VAL A 31 -9.840 2.447 3.543 1.00 70.33 C ATOM 496 O VAL A 31 -8.899 2.242 2.778 1.00 41.21 O ATOM 497 CB VAL A 31 -9.414 4.022 5.473 1.00 24.21 C ATOM 498 CG1 VAL A 31 -9.937 3.018 6.490 1.00 44.53 C ATOM 499 CG2 VAL A 31 -7.901 3.920 5.337 1.00 40.11 C ATOM 0 H VAL A 31 -11.931 3.998 5.107 1.00 33.10 H new ATOM 0 HA VAL A 31 -9.674 4.582 3.416 1.00 23.14 H new ATOM 0 HB VAL A 31 -9.658 5.019 5.840 1.00 24.21 H new ATOM 0 HG11 VAL A 31 -9.432 3.170 7.444 1.00 44.53 H new ATOM 0 HG12 VAL A 31 -11.010 3.158 6.621 1.00 44.53 H new ATOM 0 HG13 VAL A 31 -9.744 2.006 6.135 1.00 44.53 H new ATOM 0 HG21 VAL A 31 -7.438 4.047 6.316 1.00 40.11 H new ATOM 0 HG22 VAL A 31 -7.637 2.942 4.935 1.00 40.11 H new ATOM 0 HG23 VAL A 31 -7.543 4.698 4.663 1.00 40.11 H new ATOM 509 N ARG A 32 -10.703 1.500 3.894 1.00 75.34 N ATOM 510 CA ARG A 32 -10.516 0.115 3.480 1.00 21.04 C ATOM 511 C ARG A 32 -10.773 -0.043 1.988 1.00 62.30 C ATOM 512 O ARG A 32 -9.998 -0.679 1.281 1.00 63.21 O ATOM 513 CB ARG A 32 -11.450 -0.821 4.246 1.00 30.53 C ATOM 514 CG ARG A 32 -11.031 -2.278 4.143 1.00 11.21 C ATOM 515 CD ARG A 32 -9.839 -2.556 5.035 1.00 64.22 C ATOM 516 NE ARG A 32 -9.053 -3.693 4.588 1.00 12.12 N ATOM 517 CZ ARG A 32 -8.706 -4.714 5.364 1.00 4.03 C ATOM 518 NH1 ARG A 32 -9.121 -4.767 6.625 1.00 0.21 N ATOM 519 NH2 ARG A 32 -7.949 -5.684 4.872 1.00 5.31 N ATOM 0 H ARG A 32 -11.535 1.665 4.461 1.00 75.34 H new ATOM 0 HA ARG A 32 -9.483 -0.151 3.702 1.00 21.04 H new ATOM 0 HB2 ARG A 32 -11.473 -0.527 5.295 1.00 30.53 H new ATOM 0 HB3 ARG A 32 -12.464 -0.710 3.862 1.00 30.53 H new ATOM 0 HG2 ARG A 32 -11.863 -2.922 4.428 1.00 11.21 H new ATOM 0 HG3 ARG A 32 -10.782 -2.518 3.109 1.00 11.21 H new ATOM 0 HD2 ARG A 32 -9.203 -1.672 5.069 1.00 64.22 H new ATOM 0 HD3 ARG A 32 -10.187 -2.738 6.052 1.00 64.22 H new ATOM 0 HE ARG A 32 -8.748 -3.708 3.615 1.00 12.12 H new ATOM 0 HH11 ARG A 32 -9.708 -4.022 7.000 1.00 0.21 H new ATOM 0 HH12 ARG A 32 -8.853 -5.553 7.218 1.00 0.21 H new ATOM 0 HH21 ARG A 32 -7.636 -5.644 3.902 1.00 5.31 H new ATOM 0 HH22 ARG A 32 -7.680 -6.470 5.463 1.00 5.31 H new ATOM 533 N SER A 33 -11.854 0.561 1.513 1.00 40.23 N ATOM 534 CA SER A 33 -12.265 0.409 0.124 1.00 52.23 C ATOM 535 C SER A 33 -11.177 0.878 -0.840 1.00 34.34 C ATOM 536 O SER A 33 -11.065 0.358 -1.951 1.00 0.45 O ATOM 537 CB SER A 33 -13.572 1.163 -0.134 1.00 12.43 C ATOM 538 OG SER A 33 -13.524 2.474 0.403 1.00 43.42 O ATOM 0 H SER A 33 -12.462 1.161 2.070 1.00 40.23 H new ATOM 0 HA SER A 33 -12.430 -0.653 -0.057 1.00 52.23 H new ATOM 0 HB2 SER A 33 -13.760 1.214 -1.207 1.00 12.43 H new ATOM 0 HB3 SER A 33 -14.404 0.616 0.310 1.00 12.43 H new ATOM 0 HG SER A 33 -13.719 2.442 1.363 1.00 43.42 H new ATOM 544 N ARG A 34 -10.368 1.848 -0.418 1.00 10.04 N ATOM 545 CA ARG A 34 -9.287 2.318 -1.264 1.00 1.50 C ATOM 546 C ARG A 34 -8.103 1.357 -1.194 1.00 42.01 C ATOM 547 O ARG A 34 -7.469 1.088 -2.200 1.00 45.12 O ATOM 548 CB ARG A 34 -8.852 3.750 -0.906 1.00 61.22 C ATOM 549 CG ARG A 34 -7.813 3.848 0.201 1.00 41.44 C ATOM 550 CD ARG A 34 -7.136 5.211 0.201 1.00 72.34 C ATOM 551 NE ARG A 34 -6.665 5.582 -1.137 1.00 72.33 N ATOM 552 CZ ARG A 34 -5.392 5.540 -1.533 1.00 63.30 C ATOM 553 NH1 ARG A 34 -4.435 5.164 -0.691 1.00 74.01 N ATOM 554 NH2 ARG A 34 -5.080 5.879 -2.776 1.00 22.54 N ATOM 0 H ARG A 34 -10.442 2.312 0.487 1.00 10.04 H new ATOM 0 HA ARG A 34 -9.659 2.345 -2.288 1.00 1.50 H new ATOM 0 HB2 ARG A 34 -8.453 4.227 -1.801 1.00 61.22 H new ATOM 0 HB3 ARG A 34 -9.733 4.318 -0.608 1.00 61.22 H new ATOM 0 HG2 ARG A 34 -8.289 3.675 1.166 1.00 41.44 H new ATOM 0 HG3 ARG A 34 -7.064 3.067 0.071 1.00 41.44 H new ATOM 0 HD2 ARG A 34 -7.835 5.965 0.563 1.00 72.34 H new ATOM 0 HD3 ARG A 34 -6.294 5.199 0.893 1.00 72.34 H new ATOM 0 HE ARG A 34 -7.361 5.895 -1.814 1.00 72.33 H new ATOM 0 HH11 ARG A 34 -4.671 4.905 0.267 1.00 74.01 H new ATOM 0 HH12 ARG A 34 -3.464 5.135 -1.003 1.00 74.01 H new ATOM 0 HH21 ARG A 34 -5.812 6.170 -3.424 1.00 22.54 H new ATOM 0 HH22 ARG A 34 -4.108 5.849 -3.084 1.00 22.54 H new ATOM 568 N ILE A 35 -7.827 0.808 -0.018 1.00 64.40 N ATOM 569 CA ILE A 35 -6.691 -0.095 0.147 1.00 43.02 C ATOM 570 C ILE A 35 -6.926 -1.395 -0.618 1.00 3.13 C ATOM 571 O ILE A 35 -6.071 -1.852 -1.380 1.00 15.45 O ATOM 572 CB ILE A 35 -6.430 -0.415 1.637 1.00 54.40 C ATOM 573 CG1 ILE A 35 -6.139 0.870 2.416 1.00 41.50 C ATOM 574 CG2 ILE A 35 -5.275 -1.400 1.785 1.00 33.21 C ATOM 575 CD1 ILE A 35 -5.943 0.651 3.901 1.00 22.52 C ATOM 0 H ILE A 35 -8.369 0.969 0.831 1.00 64.40 H new ATOM 0 HA ILE A 35 -5.813 0.411 -0.255 1.00 43.02 H new ATOM 0 HB ILE A 35 -7.327 -0.877 2.049 1.00 54.40 H new ATOM 0 HG12 ILE A 35 -5.244 1.338 2.006 1.00 41.50 H new ATOM 0 HG13 ILE A 35 -6.962 1.569 2.266 1.00 41.50 H new ATOM 0 HG21 ILE A 35 -5.109 -1.610 2.842 1.00 33.21 H new ATOM 0 HG22 ILE A 35 -5.518 -2.326 1.264 1.00 33.21 H new ATOM 0 HG23 ILE A 35 -4.371 -0.968 1.355 1.00 33.21 H new ATOM 0 HD11 ILE A 35 -5.741 1.606 4.386 1.00 22.52 H new ATOM 0 HD12 ILE A 35 -6.845 0.212 4.326 1.00 22.52 H new ATOM 0 HD13 ILE A 35 -5.101 -0.023 4.061 1.00 22.52 H new ATOM 587 N GLU A 36 -8.109 -1.953 -0.421 1.00 24.22 N ATOM 588 CA GLU A 36 -8.516 -3.221 -1.024 1.00 74.35 C ATOM 589 C GLU A 36 -8.515 -3.160 -2.559 1.00 4.40 C ATOM 590 O GLU A 36 -8.440 -4.193 -3.225 1.00 21.44 O ATOM 591 CB GLU A 36 -9.924 -3.574 -0.515 1.00 73.34 C ATOM 592 CG GLU A 36 -9.988 -4.152 0.906 1.00 55.32 C ATOM 593 CD GLU A 36 -8.697 -4.055 1.690 1.00 35.40 C ATOM 594 OE1 GLU A 36 -8.336 -2.953 2.129 1.00 64.31 O ATOM 595 OE2 GLU A 36 -8.059 -5.110 1.910 1.00 32.53 O ATOM 0 H GLU A 36 -8.828 -1.535 0.170 1.00 24.22 H new ATOM 0 HA GLU A 36 -7.797 -3.987 -0.735 1.00 74.35 H new ATOM 0 HB2 GLU A 36 -10.540 -2.676 -0.551 1.00 73.34 H new ATOM 0 HB3 GLU A 36 -10.370 -4.294 -1.202 1.00 73.34 H new ATOM 0 HG2 GLU A 36 -10.772 -3.634 1.459 1.00 55.32 H new ATOM 0 HG3 GLU A 36 -10.281 -5.200 0.844 1.00 55.32 H new ATOM 602 N LYS A 37 -8.604 -1.954 -3.114 1.00 72.13 N ATOM 603 CA LYS A 37 -8.688 -1.778 -4.558 1.00 61.41 C ATOM 604 C LYS A 37 -7.401 -1.176 -5.121 1.00 25.41 C ATOM 605 O LYS A 37 -6.855 -1.662 -6.108 1.00 61.32 O ATOM 606 CB LYS A 37 -9.897 -0.883 -4.885 1.00 23.41 C ATOM 607 CG LYS A 37 -10.068 -0.531 -6.359 1.00 51.25 C ATOM 608 CD LYS A 37 -9.199 0.650 -6.781 1.00 54.44 C ATOM 609 CE LYS A 37 -9.559 1.922 -6.026 1.00 13.44 C ATOM 610 NZ LYS A 37 -8.796 3.107 -6.513 1.00 65.04 N ATOM 0 H LYS A 37 -8.620 -1.083 -2.583 1.00 72.13 H new ATOM 0 HA LYS A 37 -8.819 -2.754 -5.026 1.00 61.41 H new ATOM 0 HB2 LYS A 37 -10.802 -1.383 -4.541 1.00 23.41 H new ATOM 0 HB3 LYS A 37 -9.808 0.042 -4.316 1.00 23.41 H new ATOM 0 HG2 LYS A 37 -9.817 -1.399 -6.968 1.00 51.25 H new ATOM 0 HG3 LYS A 37 -11.114 -0.296 -6.554 1.00 51.25 H new ATOM 0 HD2 LYS A 37 -8.150 0.409 -6.606 1.00 54.44 H new ATOM 0 HD3 LYS A 37 -9.313 0.819 -7.852 1.00 54.44 H new ATOM 0 HE2 LYS A 37 -10.627 2.113 -6.130 1.00 13.44 H new ATOM 0 HE3 LYS A 37 -9.363 1.779 -4.963 1.00 13.44 H new ATOM 0 HZ1 LYS A 37 -9.063 3.944 -5.957 1.00 65.04 H new ATOM 0 HZ2 LYS A 37 -7.777 2.931 -6.406 1.00 65.04 H new ATOM 0 HZ3 LYS A 37 -9.015 3.273 -7.516 1.00 65.04 H new ATOM 624 N ASP A 38 -6.937 -0.111 -4.486 1.00 74.11 N ATOM 625 CA ASP A 38 -5.859 0.713 -5.026 1.00 1.02 C ATOM 626 C ASP A 38 -4.500 0.148 -4.654 1.00 72.24 C ATOM 627 O ASP A 38 -3.574 0.134 -5.462 1.00 33.24 O ATOM 628 CB ASP A 38 -5.999 2.134 -4.473 1.00 22.33 C ATOM 629 CG ASP A 38 -5.421 3.196 -5.375 1.00 32.04 C ATOM 630 OD1 ASP A 38 -6.082 3.521 -6.387 1.00 32.33 O ATOM 631 OD2 ASP A 38 -4.333 3.726 -5.060 1.00 70.44 O ATOM 0 H ASP A 38 -7.293 0.208 -3.585 1.00 74.11 H new ATOM 0 HA ASP A 38 -5.932 0.722 -6.114 1.00 1.02 H new ATOM 0 HB2 ASP A 38 -7.055 2.347 -4.306 1.00 22.33 H new ATOM 0 HB3 ASP A 38 -5.506 2.187 -3.502 1.00 22.33 H new ATOM 636 N ILE A 39 -4.395 -0.337 -3.427 1.00 64.31 N ATOM 637 CA ILE A 39 -3.124 -0.796 -2.897 1.00 63.33 C ATOM 638 C ILE A 39 -2.925 -2.288 -3.141 1.00 65.23 C ATOM 639 O ILE A 39 -1.896 -2.708 -3.668 1.00 62.13 O ATOM 640 CB ILE A 39 -3.030 -0.496 -1.388 1.00 32.33 C ATOM 641 CG1 ILE A 39 -3.115 1.015 -1.157 1.00 52.52 C ATOM 642 CG2 ILE A 39 -1.747 -1.066 -0.795 1.00 1.22 C ATOM 643 CD1 ILE A 39 -3.105 1.415 0.303 1.00 24.01 C ATOM 0 H ILE A 39 -5.178 -0.422 -2.779 1.00 64.31 H new ATOM 0 HA ILE A 39 -2.335 -0.257 -3.421 1.00 63.33 H new ATOM 0 HB ILE A 39 -3.866 -0.978 -0.882 1.00 32.33 H new ATOM 0 HG12 ILE A 39 -2.278 1.497 -1.661 1.00 52.52 H new ATOM 0 HG13 ILE A 39 -4.026 1.393 -1.621 1.00 52.52 H new ATOM 0 HG21 ILE A 39 -1.707 -0.840 0.270 1.00 1.22 H new ATOM 0 HG22 ILE A 39 -1.729 -2.147 -0.937 1.00 1.22 H new ATOM 0 HG23 ILE A 39 -0.886 -0.620 -1.293 1.00 1.22 H new ATOM 0 HD11 ILE A 39 -3.168 2.500 0.383 1.00 24.01 H new ATOM 0 HD12 ILE A 39 -3.958 0.963 0.810 1.00 24.01 H new ATOM 0 HD13 ILE A 39 -2.182 1.070 0.769 1.00 24.01 H new ATOM 655 N LYS A 40 -3.910 -3.090 -2.761 1.00 25.42 N ATOM 656 CA LYS A 40 -3.792 -4.533 -2.901 1.00 53.22 C ATOM 657 C LYS A 40 -5.000 -5.140 -3.616 1.00 35.32 C ATOM 658 O LYS A 40 -5.906 -5.687 -2.990 1.00 43.34 O ATOM 659 CB LYS A 40 -3.539 -5.195 -1.533 1.00 22.11 C ATOM 660 CG LYS A 40 -4.226 -4.522 -0.349 1.00 2.41 C ATOM 661 CD LYS A 40 -5.658 -4.991 -0.172 1.00 10.23 C ATOM 662 CE LYS A 40 -5.724 -6.479 0.127 1.00 64.02 C ATOM 663 NZ LYS A 40 -7.124 -6.948 0.261 1.00 61.55 N ATOM 0 H LYS A 40 -4.790 -2.770 -2.358 1.00 25.42 H new ATOM 0 HA LYS A 40 -2.927 -4.735 -3.533 1.00 53.22 H new ATOM 0 HB2 LYS A 40 -3.870 -6.232 -1.583 1.00 22.11 H new ATOM 0 HB3 LYS A 40 -2.465 -5.211 -1.348 1.00 22.11 H new ATOM 0 HG2 LYS A 40 -3.663 -4.729 0.561 1.00 2.41 H new ATOM 0 HG3 LYS A 40 -4.215 -3.441 -0.491 1.00 2.41 H new ATOM 0 HD2 LYS A 40 -6.126 -4.435 0.640 1.00 10.23 H new ATOM 0 HD3 LYS A 40 -6.227 -4.775 -1.076 1.00 10.23 H new ATOM 0 HE2 LYS A 40 -5.229 -7.033 -0.671 1.00 64.02 H new ATOM 0 HE3 LYS A 40 -5.179 -6.690 1.047 1.00 64.02 H new ATOM 0 HZ1 LYS A 40 -7.133 -7.894 0.692 1.00 61.55 H new ATOM 0 HZ2 LYS A 40 -7.655 -6.288 0.864 1.00 61.55 H new ATOM 0 HZ3 LYS A 40 -7.567 -6.992 -0.679 1.00 61.55 H new ATOM 677 N PRO A 41 -5.024 -5.045 -4.955 1.00 61.03 N ATOM 678 CA PRO A 41 -6.117 -5.583 -5.766 1.00 50.34 C ATOM 679 C PRO A 41 -6.109 -7.109 -5.811 1.00 1.02 C ATOM 680 O PRO A 41 -7.102 -7.756 -5.476 1.00 55.32 O ATOM 681 CB PRO A 41 -5.859 -5.010 -7.170 1.00 63.54 C ATOM 682 CG PRO A 41 -4.780 -3.989 -7.003 1.00 74.03 C ATOM 683 CD PRO A 41 -4.005 -4.391 -5.785 1.00 72.21 C ATOM 0 HA PRO A 41 -7.089 -5.309 -5.356 1.00 50.34 H new ATOM 0 HB2 PRO A 41 -5.551 -5.794 -7.862 1.00 63.54 H new ATOM 0 HB3 PRO A 41 -6.763 -4.560 -7.580 1.00 63.54 H new ATOM 0 HG2 PRO A 41 -4.135 -3.958 -7.881 1.00 74.03 H new ATOM 0 HG3 PRO A 41 -5.204 -2.992 -6.883 1.00 74.03 H new ATOM 0 HD2 PRO A 41 -3.187 -5.068 -6.031 1.00 72.21 H new ATOM 0 HD3 PRO A 41 -3.565 -3.530 -5.282 1.00 72.21 H new ATOM 691 N ALA A 42 -4.983 -7.679 -6.223 1.00 60.54 N ATOM 692 CA ALA A 42 -4.867 -9.126 -6.350 1.00 11.11 C ATOM 693 C ALA A 42 -3.800 -9.681 -5.417 1.00 74.32 C ATOM 694 O ALA A 42 -3.434 -10.857 -5.495 1.00 62.33 O ATOM 695 CB ALA A 42 -4.559 -9.500 -7.790 1.00 73.03 C ATOM 0 H ALA A 42 -4.140 -7.163 -6.474 1.00 60.54 H new ATOM 0 HA ALA A 42 -5.821 -9.568 -6.063 1.00 11.11 H new ATOM 0 HB1 ALA A 42 -4.474 -10.583 -7.874 1.00 73.03 H new ATOM 0 HB2 ALA A 42 -5.362 -9.147 -8.437 1.00 73.03 H new ATOM 0 HB3 ALA A 42 -3.619 -9.038 -8.093 1.00 73.03 H new ATOM 701 N ILE A 43 -3.317 -8.832 -4.529 1.00 30.31 N ATOM 702 CA ILE A 43 -2.279 -9.210 -3.585 1.00 12.11 C ATOM 703 C ILE A 43 -2.805 -9.167 -2.150 1.00 42.12 C ATOM 704 O ILE A 43 -2.532 -8.237 -1.395 1.00 0.43 O ATOM 705 CB ILE A 43 -1.035 -8.311 -3.745 1.00 13.11 C ATOM 706 CG1 ILE A 43 -1.447 -6.844 -3.918 1.00 12.45 C ATOM 707 CG2 ILE A 43 -0.211 -8.779 -4.939 1.00 42.42 C ATOM 708 CD1 ILE A 43 -0.283 -5.873 -3.868 1.00 3.24 C ATOM 0 H ILE A 43 -3.630 -7.865 -4.441 1.00 30.31 H new ATOM 0 HA ILE A 43 -1.982 -10.236 -3.803 1.00 12.11 H new ATOM 0 HB ILE A 43 -0.427 -8.387 -2.843 1.00 13.11 H new ATOM 0 HG12 ILE A 43 -1.962 -6.731 -4.872 1.00 12.45 H new ATOM 0 HG13 ILE A 43 -2.161 -6.582 -3.137 1.00 12.45 H new ATOM 0 HG21 ILE A 43 0.666 -8.141 -5.048 1.00 42.42 H new ATOM 0 HG22 ILE A 43 0.107 -9.809 -4.780 1.00 42.42 H new ATOM 0 HG23 ILE A 43 -0.816 -8.721 -5.844 1.00 42.42 H new ATOM 0 HD11 ILE A 43 -0.652 -4.856 -3.998 1.00 3.24 H new ATOM 0 HD12 ILE A 43 0.220 -5.957 -2.904 1.00 3.24 H new ATOM 0 HD13 ILE A 43 0.421 -6.108 -4.666 1.00 3.24 H new ATOM 720 N GLY A 44 -3.597 -10.173 -1.795 1.00 61.25 N ATOM 721 CA GLY A 44 -4.141 -10.259 -0.454 1.00 30.40 C ATOM 722 C GLY A 44 -3.347 -11.216 0.402 1.00 71.24 C ATOM 723 O GLY A 44 -2.881 -10.858 1.482 1.00 50.42 O ATOM 0 H GLY A 44 -3.873 -10.934 -2.416 1.00 61.25 H new ATOM 0 HA2 GLY A 44 -4.139 -9.270 0.005 1.00 30.40 H new ATOM 0 HA3 GLY A 44 -5.180 -10.587 -0.501 1.00 30.40 H new ATOM 727 N SER A 45 -3.171 -12.433 -0.096 1.00 43.41 N ATOM 728 CA SER A 45 -2.342 -13.428 0.574 1.00 64.13 C ATOM 729 C SER A 45 -0.869 -13.203 0.234 1.00 15.21 C ATOM 730 O SER A 45 -0.073 -14.142 0.171 1.00 41.40 O ATOM 731 CB SER A 45 -2.764 -14.835 0.152 1.00 64.43 C ATOM 732 OG SER A 45 -4.097 -15.122 0.549 1.00 70.03 O ATOM 0 H SER A 45 -3.593 -12.757 -0.966 1.00 43.41 H new ATOM 0 HA SER A 45 -2.476 -13.326 1.651 1.00 64.13 H new ATOM 0 HB2 SER A 45 -2.677 -14.932 -0.930 1.00 64.43 H new ATOM 0 HB3 SER A 45 -2.087 -15.566 0.593 1.00 64.43 H new ATOM 0 HG SER A 45 -4.336 -16.028 0.262 1.00 70.03 H new ATOM 738 N LEU A 46 -0.517 -11.946 0.028 1.00 72.42 N ATOM 739 CA LEU A 46 0.838 -11.575 -0.316 1.00 24.04 C ATOM 740 C LEU A 46 1.638 -11.329 0.956 1.00 55.12 C ATOM 741 O LEU A 46 1.402 -10.353 1.673 1.00 43.13 O ATOM 742 CB LEU A 46 0.827 -10.321 -1.194 1.00 14.42 C ATOM 743 CG LEU A 46 2.189 -9.909 -1.746 1.00 64.05 C ATOM 744 CD1 LEU A 46 2.688 -10.922 -2.760 1.00 2.53 C ATOM 745 CD2 LEU A 46 2.126 -8.521 -2.359 1.00 75.01 C ATOM 0 H LEU A 46 -1.162 -11.159 0.095 1.00 72.42 H new ATOM 0 HA LEU A 46 1.306 -12.385 -0.875 1.00 24.04 H new ATOM 0 HB2 LEU A 46 0.148 -10.487 -2.030 1.00 14.42 H new ATOM 0 HB3 LEU A 46 0.421 -9.493 -0.613 1.00 14.42 H new ATOM 0 HG LEU A 46 2.896 -9.882 -0.917 1.00 64.05 H new ATOM 0 HD11 LEU A 46 3.660 -10.608 -3.140 1.00 2.53 H new ATOM 0 HD12 LEU A 46 2.783 -11.898 -2.283 1.00 2.53 H new ATOM 0 HD13 LEU A 46 1.980 -10.989 -3.586 1.00 2.53 H new ATOM 0 HD21 LEU A 46 3.108 -8.249 -2.746 1.00 75.01 H new ATOM 0 HD22 LEU A 46 1.401 -8.515 -3.173 1.00 75.01 H new ATOM 0 HD23 LEU A 46 1.823 -7.801 -1.599 1.00 75.01 H new ATOM 757 N LYS A 47 2.546 -12.246 1.257 1.00 40.32 N ATOM 758 CA LYS A 47 3.402 -12.130 2.419 1.00 3.21 C ATOM 759 C LYS A 47 4.304 -10.908 2.294 1.00 20.21 C ATOM 760 O LYS A 47 4.705 -10.537 1.192 1.00 2.31 O ATOM 761 CB LYS A 47 4.250 -13.397 2.558 1.00 4.22 C ATOM 762 CG LYS A 47 4.985 -13.502 3.883 1.00 5.43 C ATOM 763 CD LYS A 47 4.014 -13.618 5.048 1.00 62.54 C ATOM 764 CE LYS A 47 3.213 -14.908 4.990 1.00 43.42 C ATOM 765 NZ LYS A 47 4.079 -16.114 5.097 1.00 4.04 N ATOM 0 H LYS A 47 2.706 -13.087 0.702 1.00 40.32 H new ATOM 0 HA LYS A 47 2.781 -12.012 3.307 1.00 3.21 H new ATOM 0 HB2 LYS A 47 3.606 -14.268 2.441 1.00 4.22 H new ATOM 0 HB3 LYS A 47 4.977 -13.427 1.747 1.00 4.22 H new ATOM 0 HG2 LYS A 47 5.643 -14.371 3.868 1.00 5.43 H new ATOM 0 HG3 LYS A 47 5.618 -12.625 4.020 1.00 5.43 H new ATOM 0 HD2 LYS A 47 4.566 -13.575 5.987 1.00 62.54 H new ATOM 0 HD3 LYS A 47 3.333 -12.767 5.040 1.00 62.54 H new ATOM 0 HE2 LYS A 47 2.481 -14.916 5.798 1.00 43.42 H new ATOM 0 HE3 LYS A 47 2.655 -14.945 4.054 1.00 43.42 H new ATOM 0 HZ1 LYS A 47 3.488 -16.951 5.274 1.00 4.04 H new ATOM 0 HZ2 LYS A 47 4.606 -16.243 4.209 1.00 4.04 H new ATOM 0 HZ3 LYS A 47 4.749 -15.991 5.883 1.00 4.04 H new ATOM 779 N VAL A 48 4.624 -10.291 3.425 1.00 35.11 N ATOM 780 CA VAL A 48 5.519 -9.136 3.449 1.00 45.11 C ATOM 781 C VAL A 48 6.904 -9.523 2.921 1.00 3.12 C ATOM 782 O VAL A 48 7.659 -8.690 2.427 1.00 74.23 O ATOM 783 CB VAL A 48 5.650 -8.566 4.880 1.00 74.11 C ATOM 784 CG1 VAL A 48 6.358 -7.221 4.870 1.00 73.31 C ATOM 785 CG2 VAL A 48 4.283 -8.450 5.537 1.00 2.52 C ATOM 0 H VAL A 48 4.276 -10.571 4.342 1.00 35.11 H new ATOM 0 HA VAL A 48 5.090 -8.368 2.806 1.00 45.11 H new ATOM 0 HB VAL A 48 6.255 -9.259 5.465 1.00 74.11 H new ATOM 0 HG11 VAL A 48 6.436 -6.843 5.890 1.00 73.31 H new ATOM 0 HG12 VAL A 48 7.356 -7.339 4.449 1.00 73.31 H new ATOM 0 HG13 VAL A 48 5.790 -6.515 4.264 1.00 73.31 H new ATOM 0 HG21 VAL A 48 4.396 -8.047 6.543 1.00 2.52 H new ATOM 0 HG22 VAL A 48 3.652 -7.784 4.948 1.00 2.52 H new ATOM 0 HG23 VAL A 48 3.820 -9.435 5.591 1.00 2.52 H new ATOM 795 N GLU A 49 7.212 -10.807 3.029 1.00 24.43 N ATOM 796 CA GLU A 49 8.457 -11.368 2.521 1.00 35.10 C ATOM 797 C GLU A 49 8.423 -11.480 0.994 1.00 63.32 C ATOM 798 O GLU A 49 9.456 -11.452 0.326 1.00 23.51 O ATOM 799 CB GLU A 49 8.650 -12.756 3.135 1.00 11.52 C ATOM 800 CG GLU A 49 9.896 -13.487 2.668 1.00 73.13 C ATOM 801 CD GLU A 49 9.794 -14.980 2.883 1.00 10.35 C ATOM 802 OE1 GLU A 49 9.441 -15.404 4.004 1.00 21.31 O ATOM 803 OE2 GLU A 49 10.056 -15.739 1.926 1.00 24.14 O ATOM 0 H GLU A 49 6.603 -11.493 3.474 1.00 24.43 H new ATOM 0 HA GLU A 49 9.284 -10.712 2.793 1.00 35.10 H new ATOM 0 HB2 GLU A 49 8.688 -12.657 4.220 1.00 11.52 H new ATOM 0 HB3 GLU A 49 7.778 -13.366 2.901 1.00 11.52 H new ATOM 0 HG2 GLU A 49 10.060 -13.284 1.610 1.00 73.13 H new ATOM 0 HG3 GLU A 49 10.764 -13.102 3.204 1.00 73.13 H new ATOM 810 N ASP A 50 7.220 -11.586 0.448 1.00 24.40 N ATOM 811 CA ASP A 50 7.045 -11.914 -0.961 1.00 74.34 C ATOM 812 C ASP A 50 6.664 -10.679 -1.778 1.00 30.53 C ATOM 813 O ASP A 50 6.572 -10.729 -3.007 1.00 10.01 O ATOM 814 CB ASP A 50 5.977 -13.004 -1.092 1.00 62.42 C ATOM 815 CG ASP A 50 5.809 -13.514 -2.508 1.00 22.52 C ATOM 816 OD1 ASP A 50 6.812 -13.950 -3.116 1.00 54.11 O ATOM 817 OD2 ASP A 50 4.669 -13.511 -3.011 1.00 42.00 O ATOM 0 H ASP A 50 6.348 -11.449 0.960 1.00 24.40 H new ATOM 0 HA ASP A 50 7.991 -12.282 -1.358 1.00 74.34 H new ATOM 0 HB2 ASP A 50 6.239 -13.839 -0.442 1.00 62.42 H new ATOM 0 HB3 ASP A 50 5.023 -12.612 -0.739 1.00 62.42 H new ATOM 822 N VAL A 51 6.455 -9.562 -1.104 1.00 73.21 N ATOM 823 CA VAL A 51 6.108 -8.335 -1.798 1.00 54.54 C ATOM 824 C VAL A 51 7.367 -7.577 -2.227 1.00 23.14 C ATOM 825 O VAL A 51 7.891 -6.727 -1.513 1.00 13.42 O ATOM 826 CB VAL A 51 5.163 -7.427 -0.961 1.00 32.34 C ATOM 827 CG1 VAL A 51 5.744 -7.121 0.412 1.00 23.35 C ATOM 828 CG2 VAL A 51 4.843 -6.138 -1.712 1.00 53.43 C ATOM 0 H VAL A 51 6.518 -9.479 -0.089 1.00 73.21 H new ATOM 0 HA VAL A 51 5.556 -8.620 -2.694 1.00 54.54 H new ATOM 0 HB VAL A 51 4.234 -7.977 -0.808 1.00 32.34 H new ATOM 0 HG11 VAL A 51 5.054 -6.484 0.965 1.00 23.35 H new ATOM 0 HG12 VAL A 51 5.896 -8.052 0.958 1.00 23.35 H new ATOM 0 HG13 VAL A 51 6.698 -6.607 0.297 1.00 23.35 H new ATOM 0 HG21 VAL A 51 4.181 -5.519 -1.107 1.00 53.43 H new ATOM 0 HG22 VAL A 51 5.766 -5.594 -1.911 1.00 53.43 H new ATOM 0 HG23 VAL A 51 4.353 -6.379 -2.655 1.00 53.43 H new ATOM 838 N LYS A 52 7.881 -7.933 -3.393 1.00 72.33 N ATOM 839 CA LYS A 52 9.008 -7.220 -3.963 1.00 30.21 C ATOM 840 C LYS A 52 8.532 -5.964 -4.696 1.00 20.12 C ATOM 841 O LYS A 52 7.379 -5.901 -5.134 1.00 55.35 O ATOM 842 CB LYS A 52 9.816 -8.132 -4.893 1.00 33.40 C ATOM 843 CG LYS A 52 9.032 -8.719 -6.055 1.00 73.14 C ATOM 844 CD LYS A 52 9.942 -9.520 -6.973 1.00 1.14 C ATOM 845 CE LYS A 52 10.603 -10.676 -6.235 1.00 62.14 C ATOM 846 NZ LYS A 52 11.709 -11.285 -7.019 1.00 2.35 N ATOM 0 H LYS A 52 7.536 -8.708 -3.960 1.00 72.33 H new ATOM 0 HA LYS A 52 9.665 -6.909 -3.151 1.00 30.21 H new ATOM 0 HB2 LYS A 52 10.658 -7.566 -5.291 1.00 33.40 H new ATOM 0 HB3 LYS A 52 10.232 -8.950 -4.304 1.00 33.40 H new ATOM 0 HG2 LYS A 52 8.236 -9.360 -5.675 1.00 73.14 H new ATOM 0 HG3 LYS A 52 8.554 -7.918 -6.619 1.00 73.14 H new ATOM 0 HD2 LYS A 52 9.364 -9.906 -7.813 1.00 1.14 H new ATOM 0 HD3 LYS A 52 10.709 -8.866 -7.388 1.00 1.14 H new ATOM 0 HE2 LYS A 52 10.990 -10.321 -5.280 1.00 62.14 H new ATOM 0 HE3 LYS A 52 9.856 -11.438 -6.013 1.00 62.14 H new ATOM 0 HZ1 LYS A 52 12.129 -12.067 -6.477 1.00 2.35 H new ATOM 0 HZ2 LYS A 52 11.337 -11.648 -7.920 1.00 2.35 H new ATOM 0 HZ3 LYS A 52 12.436 -10.566 -7.209 1.00 2.35 H new ATOM 860 N PRO A 53 9.416 -4.953 -4.821 1.00 25.23 N ATOM 861 CA PRO A 53 9.100 -3.639 -5.412 1.00 14.53 C ATOM 862 C PRO A 53 8.231 -3.690 -6.672 1.00 72.32 C ATOM 863 O PRO A 53 7.341 -2.858 -6.840 1.00 60.32 O ATOM 864 CB PRO A 53 10.482 -3.083 -5.739 1.00 53.32 C ATOM 865 CG PRO A 53 11.353 -3.628 -4.664 1.00 50.01 C ATOM 866 CD PRO A 53 10.823 -5.007 -4.367 1.00 1.34 C ATOM 0 HA PRO A 53 8.504 -3.036 -4.726 1.00 14.53 H new ATOM 0 HB2 PRO A 53 10.818 -3.403 -6.725 1.00 53.32 H new ATOM 0 HB3 PRO A 53 10.484 -1.993 -5.740 1.00 53.32 H new ATOM 0 HG2 PRO A 53 12.393 -3.670 -4.987 1.00 50.01 H new ATOM 0 HG3 PRO A 53 11.320 -2.997 -3.776 1.00 50.01 H new ATOM 0 HD2 PRO A 53 11.385 -5.774 -4.899 1.00 1.34 H new ATOM 0 HD3 PRO A 53 10.891 -5.241 -3.305 1.00 1.34 H new ATOM 874 N ARG A 54 8.483 -4.655 -7.552 1.00 5.14 N ATOM 875 CA ARG A 54 7.725 -4.776 -8.799 1.00 4.24 C ATOM 876 C ARG A 54 6.219 -4.914 -8.564 1.00 21.54 C ATOM 877 O ARG A 54 5.420 -4.530 -9.418 1.00 1.14 O ATOM 878 CB ARG A 54 8.232 -5.955 -9.628 1.00 10.41 C ATOM 879 CG ARG A 54 9.432 -5.616 -10.494 1.00 51.33 C ATOM 880 CD ARG A 54 9.113 -4.486 -11.461 1.00 24.23 C ATOM 881 NE ARG A 54 10.158 -4.313 -12.470 1.00 60.11 N ATOM 882 CZ ARG A 54 10.244 -3.262 -13.290 1.00 3.31 C ATOM 883 NH1 ARG A 54 9.340 -2.286 -13.235 1.00 22.31 N ATOM 884 NH2 ARG A 54 11.228 -3.197 -14.176 1.00 32.43 N ATOM 0 H ARG A 54 9.205 -5.365 -7.427 1.00 5.14 H new ATOM 0 HA ARG A 54 7.885 -3.849 -9.349 1.00 4.24 H new ATOM 0 HB2 ARG A 54 8.497 -6.773 -8.958 1.00 10.41 H new ATOM 0 HB3 ARG A 54 7.424 -6.315 -10.265 1.00 10.41 H new ATOM 0 HG2 ARG A 54 10.271 -5.329 -9.860 1.00 51.33 H new ATOM 0 HG3 ARG A 54 9.741 -6.499 -11.053 1.00 51.33 H new ATOM 0 HD2 ARG A 54 8.163 -4.690 -11.955 1.00 24.23 H new ATOM 0 HD3 ARG A 54 8.990 -3.557 -10.904 1.00 24.23 H new ATOM 0 HE ARG A 54 10.867 -5.042 -12.553 1.00 60.11 H new ATOM 0 HH11 ARG A 54 8.574 -2.337 -12.563 1.00 22.31 H new ATOM 0 HH12 ARG A 54 9.413 -1.487 -13.865 1.00 22.31 H new ATOM 0 HH21 ARG A 54 11.916 -3.948 -14.230 1.00 32.43 H new ATOM 0 HH22 ARG A 54 11.297 -2.396 -14.804 1.00 32.43 H new ATOM 898 N HIS A 55 5.833 -5.447 -7.413 1.00 3.44 N ATOM 899 CA HIS A 55 4.416 -5.567 -7.079 1.00 74.52 C ATOM 900 C HIS A 55 3.811 -4.187 -6.860 1.00 41.33 C ATOM 901 O HIS A 55 2.724 -3.886 -7.346 1.00 64.24 O ATOM 902 CB HIS A 55 4.203 -6.433 -5.834 1.00 74.33 C ATOM 903 CG HIS A 55 4.566 -7.875 -6.021 1.00 53.25 C ATOM 904 ND1 HIS A 55 3.933 -8.704 -6.918 1.00 32.33 N ATOM 905 CD2 HIS A 55 5.512 -8.633 -5.421 1.00 30.21 C ATOM 906 CE1 HIS A 55 4.475 -9.905 -6.862 1.00 10.31 C ATOM 907 NE2 HIS A 55 5.436 -9.891 -5.960 1.00 34.43 N ATOM 0 H HIS A 55 6.471 -5.800 -6.700 1.00 3.44 H new ATOM 0 HA HIS A 55 3.917 -6.054 -7.917 1.00 74.52 H new ATOM 0 HB2 HIS A 55 4.794 -6.024 -5.015 1.00 74.33 H new ATOM 0 HB3 HIS A 55 3.157 -6.369 -5.535 1.00 74.33 H new ATOM 0 HD2 HIS A 55 6.202 -8.307 -4.657 1.00 30.21 H new ATOM 0 HE1 HIS A 55 4.181 -10.758 -7.456 1.00 10.31 H new ATOM 0 HE2 HIS A 55 6.025 -10.684 -5.706 1.00 34.43 H new ATOM 916 N ILE A 56 4.539 -3.345 -6.138 1.00 40.33 N ATOM 917 CA ILE A 56 4.120 -1.968 -5.897 1.00 22.33 C ATOM 918 C ILE A 56 4.209 -1.164 -7.188 1.00 70.44 C ATOM 919 O ILE A 56 3.383 -0.300 -7.468 1.00 55.53 O ATOM 920 CB ILE A 56 4.999 -1.310 -4.807 1.00 71.05 C ATOM 921 CG1 ILE A 56 4.867 -2.071 -3.486 1.00 12.55 C ATOM 922 CG2 ILE A 56 4.643 0.158 -4.617 1.00 43.41 C ATOM 923 CD1 ILE A 56 3.443 -2.162 -2.973 1.00 15.25 C ATOM 0 H ILE A 56 5.429 -3.593 -5.706 1.00 40.33 H new ATOM 0 HA ILE A 56 3.087 -1.979 -5.549 1.00 22.33 H new ATOM 0 HB ILE A 56 6.036 -1.359 -5.138 1.00 71.05 H new ATOM 0 HG12 ILE A 56 5.261 -3.079 -3.617 1.00 12.55 H new ATOM 0 HG13 ILE A 56 5.484 -1.582 -2.732 1.00 12.55 H new ATOM 0 HG21 ILE A 56 5.279 0.590 -3.844 1.00 43.41 H new ATOM 0 HG22 ILE A 56 4.796 0.694 -5.554 1.00 43.41 H new ATOM 0 HG23 ILE A 56 3.599 0.243 -4.317 1.00 43.41 H new ATOM 0 HD11 ILE A 56 3.429 -2.715 -2.034 1.00 15.25 H new ATOM 0 HD12 ILE A 56 3.051 -1.158 -2.809 1.00 15.25 H new ATOM 0 HD13 ILE A 56 2.824 -2.678 -3.707 1.00 15.25 H new ATOM 935 N ASP A 57 5.213 -1.480 -7.984 1.00 24.22 N ATOM 936 CA ASP A 57 5.404 -0.846 -9.281 1.00 22.45 C ATOM 937 C ASP A 57 4.217 -1.131 -10.199 1.00 35.01 C ATOM 938 O ASP A 57 3.794 -0.274 -10.981 1.00 20.33 O ATOM 939 CB ASP A 57 6.702 -1.360 -9.907 1.00 44.13 C ATOM 940 CG ASP A 57 6.932 -0.848 -11.311 1.00 21.42 C ATOM 941 OD1 ASP A 57 7.364 0.313 -11.465 1.00 11.22 O ATOM 942 OD2 ASP A 57 6.694 -1.612 -12.268 1.00 23.34 O ATOM 0 H ASP A 57 5.918 -2.180 -7.754 1.00 24.22 H new ATOM 0 HA ASP A 57 5.472 0.234 -9.146 1.00 22.45 H new ATOM 0 HB2 ASP A 57 7.542 -1.066 -9.278 1.00 44.13 H new ATOM 0 HB3 ASP A 57 6.683 -2.450 -9.924 1.00 44.13 H new ATOM 947 N ASP A 58 3.663 -2.330 -10.069 1.00 5.51 N ATOM 948 CA ASP A 58 2.543 -2.756 -10.905 1.00 3.12 C ATOM 949 C ASP A 58 1.236 -2.090 -10.479 1.00 13.21 C ATOM 950 O ASP A 58 0.380 -1.806 -11.314 1.00 44.45 O ATOM 951 CB ASP A 58 2.382 -4.278 -10.873 1.00 71.13 C ATOM 952 CG ASP A 58 1.305 -4.761 -11.827 1.00 14.53 C ATOM 953 OD1 ASP A 58 1.611 -4.972 -13.021 1.00 63.23 O ATOM 954 OD2 ASP A 58 0.147 -4.935 -11.391 1.00 1.55 O ATOM 0 H ASP A 58 3.971 -3.028 -9.391 1.00 5.51 H new ATOM 0 HA ASP A 58 2.770 -2.444 -11.924 1.00 3.12 H new ATOM 0 HB2 ASP A 58 3.331 -4.747 -11.132 1.00 71.13 H new ATOM 0 HB3 ASP A 58 2.136 -4.594 -9.859 1.00 71.13 H new ATOM 959 N VAL A 59 1.068 -1.832 -9.190 1.00 61.45 N ATOM 960 CA VAL A 59 -0.154 -1.187 -8.731 1.00 53.35 C ATOM 961 C VAL A 59 -0.129 0.311 -9.048 1.00 73.33 C ATOM 962 O VAL A 59 -1.146 0.884 -9.433 1.00 73.15 O ATOM 963 CB VAL A 59 -0.429 -1.421 -7.223 1.00 32.53 C ATOM 964 CG1 VAL A 59 -0.571 -2.907 -6.936 1.00 61.31 C ATOM 965 CG2 VAL A 59 0.653 -0.815 -6.346 1.00 34.43 C ATOM 0 H VAL A 59 1.744 -2.053 -8.459 1.00 61.45 H new ATOM 0 HA VAL A 59 -0.975 -1.652 -9.276 1.00 53.35 H new ATOM 0 HB VAL A 59 -1.365 -0.918 -6.980 1.00 32.53 H new ATOM 0 HG11 VAL A 59 -0.764 -3.056 -5.874 1.00 61.31 H new ATOM 0 HG12 VAL A 59 -1.401 -3.312 -7.515 1.00 61.31 H new ATOM 0 HG13 VAL A 59 0.350 -3.421 -7.213 1.00 61.31 H new ATOM 0 HG21 VAL A 59 0.420 -1.003 -5.298 1.00 34.43 H new ATOM 0 HG22 VAL A 59 1.615 -1.267 -6.590 1.00 34.43 H new ATOM 0 HG23 VAL A 59 0.702 0.260 -6.520 1.00 34.43 H new ATOM 975 N LEU A 60 1.047 0.926 -8.946 1.00 51.30 N ATOM 976 CA LEU A 60 1.195 2.361 -9.200 1.00 63.41 C ATOM 977 C LEU A 60 0.886 2.712 -10.654 1.00 32.35 C ATOM 978 O LEU A 60 0.273 3.739 -10.936 1.00 32.21 O ATOM 979 CB LEU A 60 2.607 2.821 -8.840 1.00 13.52 C ATOM 980 CG LEU A 60 2.959 2.735 -7.357 1.00 30.55 C ATOM 981 CD1 LEU A 60 4.415 3.105 -7.138 1.00 33.33 C ATOM 982 CD2 LEU A 60 2.046 3.634 -6.533 1.00 4.44 C ATOM 0 H LEU A 60 1.914 0.454 -8.689 1.00 51.30 H new ATOM 0 HA LEU A 60 0.474 2.882 -8.570 1.00 63.41 H new ATOM 0 HB2 LEU A 60 3.322 2.221 -9.402 1.00 13.52 H new ATOM 0 HB3 LEU A 60 2.730 3.853 -9.167 1.00 13.52 H new ATOM 0 HG LEU A 60 2.810 1.707 -7.026 1.00 30.55 H new ATOM 0 HD11 LEU A 60 4.651 3.039 -6.076 1.00 33.33 H new ATOM 0 HD12 LEU A 60 5.053 2.418 -7.695 1.00 33.33 H new ATOM 0 HD13 LEU A 60 4.588 4.124 -7.486 1.00 33.33 H new ATOM 0 HD21 LEU A 60 2.314 3.557 -5.479 1.00 4.44 H new ATOM 0 HD22 LEU A 60 2.159 4.667 -6.862 1.00 4.44 H new ATOM 0 HD23 LEU A 60 1.010 3.322 -6.667 1.00 4.44 H new ATOM 994 N LYS A 61 1.306 1.859 -11.576 1.00 41.44 N ATOM 995 CA LYS A 61 1.030 2.081 -12.992 1.00 31.23 C ATOM 996 C LYS A 61 -0.476 2.012 -13.252 1.00 34.51 C ATOM 997 O LYS A 61 -1.001 2.693 -14.133 1.00 31.31 O ATOM 998 CB LYS A 61 1.772 1.056 -13.854 1.00 50.32 C ATOM 999 CG LYS A 61 1.281 -0.367 -13.661 1.00 31.31 C ATOM 1000 CD LYS A 61 2.138 -1.378 -14.398 1.00 24.05 C ATOM 1001 CE LYS A 61 2.163 -1.119 -15.890 1.00 60.22 C ATOM 1002 NZ LYS A 61 2.831 -2.222 -16.626 1.00 31.14 N ATOM 0 H LYS A 61 1.836 1.011 -11.374 1.00 41.44 H new ATOM 0 HA LYS A 61 1.386 3.075 -13.264 1.00 31.23 H new ATOM 0 HB2 LYS A 61 1.664 1.330 -14.904 1.00 50.32 H new ATOM 0 HB3 LYS A 61 2.836 1.099 -13.621 1.00 50.32 H new ATOM 0 HG2 LYS A 61 1.276 -0.606 -12.597 1.00 31.31 H new ATOM 0 HG3 LYS A 61 0.251 -0.444 -14.010 1.00 31.31 H new ATOM 0 HD2 LYS A 61 3.155 -1.345 -14.007 1.00 24.05 H new ATOM 0 HD3 LYS A 61 1.757 -2.382 -14.210 1.00 24.05 H new ATOM 0 HE2 LYS A 61 1.143 -1.002 -16.256 1.00 60.22 H new ATOM 0 HE3 LYS A 61 2.683 -0.182 -16.088 1.00 60.22 H new ATOM 0 HZ1 LYS A 61 2.830 -2.011 -17.644 1.00 31.14 H new ATOM 0 HZ2 LYS A 61 3.812 -2.317 -16.293 1.00 31.14 H new ATOM 0 HZ3 LYS A 61 2.320 -3.112 -16.456 1.00 31.14 H new ATOM 1016 N ALA A 62 -1.161 1.186 -12.467 1.00 41.30 N ATOM 1017 CA ALA A 62 -2.597 1.008 -12.600 1.00 3.14 C ATOM 1018 C ALA A 62 -3.368 2.178 -11.992 1.00 51.21 C ATOM 1019 O ALA A 62 -4.314 2.683 -12.596 1.00 71.45 O ATOM 1020 CB ALA A 62 -3.024 -0.302 -11.957 1.00 72.50 C ATOM 0 H ALA A 62 -0.737 0.626 -11.727 1.00 41.30 H new ATOM 0 HA ALA A 62 -2.833 0.977 -13.664 1.00 3.14 H new ATOM 0 HB1 ALA A 62 -4.102 -0.425 -12.063 1.00 72.50 H new ATOM 0 HB2 ALA A 62 -2.514 -1.131 -12.448 1.00 72.50 H new ATOM 0 HB3 ALA A 62 -2.762 -0.290 -10.899 1.00 72.50 H new ATOM 1026 N VAL A 63 -2.957 2.615 -10.804 1.00 33.32 N ATOM 1027 CA VAL A 63 -3.650 3.695 -10.103 1.00 23.54 C ATOM 1028 C VAL A 63 -3.569 5.009 -10.884 1.00 4.22 C ATOM 1029 O VAL A 63 -4.439 5.874 -10.759 1.00 21.12 O ATOM 1030 CB VAL A 63 -3.101 3.900 -8.670 1.00 64.13 C ATOM 1031 CG1 VAL A 63 -3.187 2.607 -7.878 1.00 23.51 C ATOM 1032 CG2 VAL A 63 -1.671 4.416 -8.684 1.00 72.33 C ATOM 0 H VAL A 63 -2.149 2.239 -10.307 1.00 33.32 H new ATOM 0 HA VAL A 63 -4.695 3.396 -10.027 1.00 23.54 H new ATOM 0 HB VAL A 63 -3.721 4.655 -8.186 1.00 64.13 H new ATOM 0 HG11 VAL A 63 -2.797 2.769 -6.873 1.00 23.51 H new ATOM 0 HG12 VAL A 63 -4.227 2.287 -7.816 1.00 23.51 H new ATOM 0 HG13 VAL A 63 -2.599 1.836 -8.375 1.00 23.51 H new ATOM 0 HG21 VAL A 63 -1.321 4.547 -7.660 1.00 72.33 H new ATOM 0 HG22 VAL A 63 -1.030 3.699 -9.197 1.00 72.33 H new ATOM 0 HG23 VAL A 63 -1.634 5.373 -9.205 1.00 72.33 H new ATOM 1042 N MET A 64 -2.529 5.143 -11.700 1.00 5.32 N ATOM 1043 CA MET A 64 -2.352 6.334 -12.524 1.00 2.13 C ATOM 1044 C MET A 64 -3.302 6.324 -13.715 1.00 44.41 C ATOM 1045 O MET A 64 -3.941 7.330 -14.018 1.00 24.05 O ATOM 1046 CB MET A 64 -0.910 6.432 -13.030 1.00 5.42 C ATOM 1047 CG MET A 64 0.121 6.649 -11.937 1.00 15.04 C ATOM 1048 SD MET A 64 1.793 6.815 -12.594 1.00 43.53 S ATOM 1049 CE MET A 64 2.748 6.907 -11.081 1.00 24.12 C ATOM 0 H MET A 64 -1.796 4.442 -11.809 1.00 5.32 H new ATOM 0 HA MET A 64 -2.576 7.199 -11.900 1.00 2.13 H new ATOM 0 HB2 MET A 64 -0.664 5.518 -13.570 1.00 5.42 H new ATOM 0 HB3 MET A 64 -0.843 7.252 -13.745 1.00 5.42 H new ATOM 0 HG2 MET A 64 -0.135 7.545 -11.372 1.00 15.04 H new ATOM 0 HG3 MET A 64 0.089 5.812 -11.239 1.00 15.04 H new ATOM 0 HE1 MET A 64 3.805 7.012 -11.324 1.00 24.12 H new ATOM 0 HE2 MET A 64 2.423 7.768 -10.497 1.00 24.12 H new ATOM 0 HE3 MET A 64 2.598 5.997 -10.500 1.00 24.12 H new ATOM 1059 N LYS A 65 -3.401 5.174 -14.374 1.00 72.51 N ATOM 1060 CA LYS A 65 -4.147 5.062 -15.623 1.00 24.42 C ATOM 1061 C LYS A 65 -5.654 5.125 -15.392 1.00 4.41 C ATOM 1062 O LYS A 65 -6.383 5.751 -16.165 1.00 33.24 O ATOM 1063 CB LYS A 65 -3.771 3.764 -16.345 1.00 44.33 C ATOM 1064 CG LYS A 65 -4.242 2.498 -15.640 1.00 2.12 C ATOM 1065 CD LYS A 65 -3.624 1.251 -16.245 1.00 23.44 C ATOM 1066 CE LYS A 65 -4.005 1.077 -17.704 1.00 20.52 C ATOM 1067 NZ LYS A 65 -3.366 -0.127 -18.292 1.00 43.25 N ATOM 0 H LYS A 65 -2.972 4.303 -14.062 1.00 72.51 H new ATOM 0 HA LYS A 65 -3.877 5.913 -16.249 1.00 24.42 H new ATOM 0 HB2 LYS A 65 -4.193 3.785 -17.350 1.00 44.33 H new ATOM 0 HB3 LYS A 65 -2.687 3.723 -16.455 1.00 44.33 H new ATOM 0 HG2 LYS A 65 -3.985 2.554 -14.582 1.00 2.12 H new ATOM 0 HG3 LYS A 65 -5.328 2.431 -15.701 1.00 2.12 H new ATOM 0 HD2 LYS A 65 -2.539 1.306 -16.158 1.00 23.44 H new ATOM 0 HD3 LYS A 65 -3.946 0.376 -15.680 1.00 23.44 H new ATOM 0 HE2 LYS A 65 -5.088 0.995 -17.791 1.00 20.52 H new ATOM 0 HE3 LYS A 65 -3.706 1.961 -18.267 1.00 20.52 H new ATOM 0 HZ1 LYS A 65 -3.647 -0.217 -19.289 1.00 43.25 H new ATOM 0 HZ2 LYS A 65 -2.332 -0.036 -18.230 1.00 43.25 H new ATOM 0 HZ3 LYS A 65 -3.671 -0.972 -17.769 1.00 43.25 H new ATOM 1081 N ARG A 66 -6.122 4.477 -14.334 1.00 73.31 N ATOM 1082 CA ARG A 66 -7.549 4.450 -14.044 1.00 31.40 C ATOM 1083 C ARG A 66 -7.987 5.710 -13.306 1.00 24.34 C ATOM 1084 O ARG A 66 -9.070 6.238 -13.556 1.00 41.55 O ATOM 1085 CB ARG A 66 -7.927 3.214 -13.222 1.00 71.31 C ATOM 1086 CG ARG A 66 -7.265 3.148 -11.854 1.00 53.42 C ATOM 1087 CD ARG A 66 -7.986 2.178 -10.932 1.00 61.41 C ATOM 1088 NE ARG A 66 -8.080 0.838 -11.504 1.00 45.33 N ATOM 1089 CZ ARG A 66 -9.211 0.298 -11.948 1.00 30.54 C ATOM 1090 NH1 ARG A 66 -10.344 0.997 -11.912 1.00 71.33 N ATOM 1091 NH2 ARG A 66 -9.204 -0.934 -12.431 1.00 3.12 N ATOM 0 H ARG A 66 -5.541 3.968 -13.668 1.00 73.31 H new ATOM 0 HA ARG A 66 -8.068 4.406 -15.001 1.00 31.40 H new ATOM 0 HB2 ARG A 66 -9.009 3.196 -13.091 1.00 71.31 H new ATOM 0 HB3 ARG A 66 -7.659 2.321 -13.786 1.00 71.31 H new ATOM 0 HG2 ARG A 66 -6.225 2.840 -11.966 1.00 53.42 H new ATOM 0 HG3 ARG A 66 -7.257 4.141 -11.404 1.00 53.42 H new ATOM 0 HD2 ARG A 66 -7.461 2.128 -9.978 1.00 61.41 H new ATOM 0 HD3 ARG A 66 -8.988 2.554 -10.725 1.00 61.41 H new ATOM 0 HE ARG A 66 -7.227 0.283 -11.567 1.00 45.33 H new ATOM 0 HH11 ARG A 66 -10.345 1.948 -11.543 1.00 71.33 H new ATOM 0 HH12 ARG A 66 -11.211 0.581 -12.253 1.00 71.33 H new ATOM 0 HH21 ARG A 66 -8.334 -1.465 -12.461 1.00 3.12 H new ATOM 0 HH22 ARG A 66 -10.069 -1.353 -12.773 1.00 3.12 H new ATOM 1105 N GLY A 67 -7.138 6.196 -12.413 1.00 75.11 N ATOM 1106 CA GLY A 67 -7.499 7.339 -11.607 1.00 74.21 C ATOM 1107 C GLY A 67 -6.732 8.577 -11.998 1.00 22.34 C ATOM 1108 O GLY A 67 -7.132 9.299 -12.913 1.00 2.12 O ATOM 0 H GLY A 67 -6.207 5.819 -12.234 1.00 75.11 H new ATOM 0 HA2 GLY A 67 -8.568 7.529 -11.707 1.00 74.21 H new ATOM 0 HA3 GLY A 67 -7.312 7.114 -10.557 1.00 74.21 H new ATOM 1112 N ALA A 68 -5.617 8.813 -11.323 1.00 43.31 N ATOM 1113 CA ALA A 68 -4.810 9.998 -11.560 1.00 23.44 C ATOM 1114 C ALA A 68 -3.462 9.864 -10.863 1.00 44.31 C ATOM 1115 O ALA A 68 -3.341 9.126 -9.885 1.00 24.11 O ATOM 1116 CB ALA A 68 -5.540 11.242 -11.066 1.00 3.24 C ATOM 0 H ALA A 68 -5.249 8.193 -10.601 1.00 43.31 H new ATOM 0 HA ALA A 68 -4.641 10.097 -12.632 1.00 23.44 H new ATOM 0 HB1 ALA A 68 -4.924 12.122 -11.250 1.00 3.24 H new ATOM 0 HB2 ALA A 68 -6.486 11.344 -11.597 1.00 3.24 H new ATOM 0 HB3 ALA A 68 -5.732 11.151 -9.997 1.00 3.24 H new ATOM 1122 N PRO A 69 -2.432 10.574 -11.354 1.00 21.54 N ATOM 1123 CA PRO A 69 -1.097 10.571 -10.741 1.00 13.12 C ATOM 1124 C PRO A 69 -1.128 11.036 -9.287 1.00 54.02 C ATOM 1125 O PRO A 69 -0.300 10.620 -8.475 1.00 1.31 O ATOM 1126 CB PRO A 69 -0.293 11.557 -11.598 1.00 23.02 C ATOM 1127 CG PRO A 69 -1.312 12.345 -12.350 1.00 13.14 C ATOM 1128 CD PRO A 69 -2.474 11.422 -12.557 1.00 22.40 C ATOM 0 HA PRO A 69 -0.669 9.569 -10.716 1.00 13.12 H new ATOM 0 HB2 PRO A 69 0.325 12.205 -10.977 1.00 23.02 H new ATOM 0 HB3 PRO A 69 0.378 11.031 -12.277 1.00 23.02 H new ATOM 0 HG2 PRO A 69 -1.612 13.231 -11.790 1.00 13.14 H new ATOM 0 HG3 PRO A 69 -0.913 12.690 -13.304 1.00 13.14 H new ATOM 0 HD2 PRO A 69 -3.415 11.967 -12.636 1.00 22.40 H new ATOM 0 HD3 PRO A 69 -2.368 10.836 -13.470 1.00 22.40 H new ATOM 1136 N SER A 70 -2.095 11.891 -8.968 1.00 55.51 N ATOM 1137 CA SER A 70 -2.269 12.395 -7.611 1.00 20.44 C ATOM 1138 C SER A 70 -2.546 11.252 -6.635 1.00 3.34 C ATOM 1139 O SER A 70 -2.081 11.267 -5.497 1.00 31.44 O ATOM 1140 CB SER A 70 -3.422 13.399 -7.583 1.00 12.33 C ATOM 1141 OG SER A 70 -3.283 14.356 -8.618 1.00 64.44 O ATOM 0 H SER A 70 -2.775 12.251 -9.638 1.00 55.51 H new ATOM 0 HA SER A 70 -1.348 12.888 -7.302 1.00 20.44 H new ATOM 0 HB2 SER A 70 -4.370 12.873 -7.693 1.00 12.33 H new ATOM 0 HB3 SER A 70 -3.447 13.903 -6.617 1.00 12.33 H new ATOM 0 HG SER A 70 -4.032 14.987 -8.583 1.00 64.44 H new ATOM 1147 N ILE A 71 -3.292 10.253 -7.098 1.00 32.45 N ATOM 1148 CA ILE A 71 -3.623 9.104 -6.270 1.00 42.14 C ATOM 1149 C ILE A 71 -2.358 8.338 -5.908 1.00 30.51 C ATOM 1150 O ILE A 71 -2.164 7.944 -4.759 1.00 51.43 O ATOM 1151 CB ILE A 71 -4.619 8.162 -6.984 1.00 14.21 C ATOM 1152 CG1 ILE A 71 -5.915 8.910 -7.313 1.00 60.44 C ATOM 1153 CG2 ILE A 71 -4.911 6.938 -6.127 1.00 3.11 C ATOM 1154 CD1 ILE A 71 -6.938 8.064 -8.042 1.00 22.45 C ATOM 0 H ILE A 71 -3.677 10.219 -8.042 1.00 32.45 H new ATOM 0 HA ILE A 71 -4.097 9.474 -5.361 1.00 42.14 H new ATOM 0 HB ILE A 71 -4.166 7.824 -7.916 1.00 14.21 H new ATOM 0 HG12 ILE A 71 -6.356 9.280 -6.387 1.00 60.44 H new ATOM 0 HG13 ILE A 71 -5.676 9.781 -7.923 1.00 60.44 H new ATOM 0 HG21 ILE A 71 -5.614 6.288 -6.648 1.00 3.11 H new ATOM 0 HG22 ILE A 71 -3.985 6.395 -5.941 1.00 3.11 H new ATOM 0 HG23 ILE A 71 -5.344 7.253 -5.178 1.00 3.11 H new ATOM 0 HD11 ILE A 71 -7.828 8.661 -8.241 1.00 22.45 H new ATOM 0 HD12 ILE A 71 -6.517 7.716 -8.985 1.00 22.45 H new ATOM 0 HD13 ILE A 71 -7.206 7.206 -7.426 1.00 22.45 H new ATOM 1166 N ALA A 72 -1.482 8.165 -6.892 1.00 43.12 N ATOM 1167 CA ALA A 72 -0.222 7.462 -6.686 1.00 61.23 C ATOM 1168 C ALA A 72 0.629 8.165 -5.636 1.00 23.31 C ATOM 1169 O ALA A 72 1.286 7.517 -4.828 1.00 14.33 O ATOM 1170 CB ALA A 72 0.540 7.349 -7.998 1.00 54.35 C ATOM 0 H ALA A 72 -1.623 8.504 -7.844 1.00 43.12 H new ATOM 0 HA ALA A 72 -0.447 6.459 -6.323 1.00 61.23 H new ATOM 0 HB1 ALA A 72 1.479 6.822 -7.829 1.00 54.35 H new ATOM 0 HB2 ALA A 72 -0.061 6.798 -8.721 1.00 54.35 H new ATOM 0 HB3 ALA A 72 0.748 8.347 -8.385 1.00 54.35 H new ATOM 1176 N ASN A 73 0.592 9.492 -5.648 1.00 42.20 N ATOM 1177 CA ASN A 73 1.338 10.303 -4.698 1.00 61.30 C ATOM 1178 C ASN A 73 0.911 9.992 -3.265 1.00 21.41 C ATOM 1179 O ASN A 73 1.744 9.704 -2.402 1.00 14.51 O ATOM 1180 CB ASN A 73 1.102 11.778 -5.024 1.00 55.12 C ATOM 1181 CG ASN A 73 1.727 12.724 -4.024 1.00 22.35 C ATOM 1182 OD1 ASN A 73 2.769 12.441 -3.433 1.00 71.31 O ATOM 1183 ND2 ASN A 73 1.088 13.863 -3.835 1.00 34.41 N ATOM 0 H ASN A 73 0.044 10.034 -6.316 1.00 42.20 H new ATOM 0 HA ASN A 73 2.401 10.074 -4.779 1.00 61.30 H new ATOM 0 HB2 ASN A 73 1.504 11.992 -6.015 1.00 55.12 H new ATOM 0 HB3 ASN A 73 0.029 11.965 -5.068 1.00 55.12 H new ATOM 0 HD21 ASN A 73 1.455 14.551 -3.177 1.00 34.41 H new ATOM 0 HD22 ASN A 73 0.227 14.056 -4.347 1.00 34.41 H new ATOM 1190 N ASP A 74 -0.393 10.024 -3.021 1.00 25.20 N ATOM 1191 CA ASP A 74 -0.927 9.730 -1.697 1.00 63.35 C ATOM 1192 C ASP A 74 -0.747 8.258 -1.344 1.00 31.02 C ATOM 1193 O ASP A 74 -0.441 7.918 -0.197 1.00 14.11 O ATOM 1194 CB ASP A 74 -2.406 10.116 -1.607 1.00 65.02 C ATOM 1195 CG ASP A 74 -2.611 11.607 -1.420 1.00 74.40 C ATOM 1196 OD1 ASP A 74 -2.427 12.096 -0.285 1.00 11.42 O ATOM 1197 OD2 ASP A 74 -2.984 12.291 -2.393 1.00 31.45 O ATOM 0 H ASP A 74 -1.099 10.250 -3.721 1.00 25.20 H new ATOM 0 HA ASP A 74 -0.366 10.326 -0.977 1.00 63.35 H new ATOM 0 HB2 ASP A 74 -2.917 9.794 -2.514 1.00 65.02 H new ATOM 0 HB3 ASP A 74 -2.867 9.583 -0.775 1.00 65.02 H new ATOM 1202 N THR A 75 -0.932 7.384 -2.326 1.00 61.30 N ATOM 1203 CA THR A 75 -0.740 5.956 -2.119 1.00 34.22 C ATOM 1204 C THR A 75 0.713 5.654 -1.738 1.00 24.02 C ATOM 1205 O THR A 75 0.963 4.842 -0.852 1.00 52.32 O ATOM 1206 CB THR A 75 -1.157 5.146 -3.370 1.00 73.20 C ATOM 1207 OG1 THR A 75 -2.553 5.357 -3.636 1.00 43.31 O ATOM 1208 CG2 THR A 75 -0.903 3.656 -3.180 1.00 15.12 C ATOM 0 H THR A 75 -1.214 7.640 -3.272 1.00 61.30 H new ATOM 0 HA THR A 75 -1.383 5.650 -1.294 1.00 34.22 H new ATOM 0 HB THR A 75 -0.555 5.492 -4.210 1.00 73.20 H new ATOM 0 HG1 THR A 75 -2.899 4.616 -4.176 1.00 43.31 H new ATOM 0 HG21 THR A 75 -1.207 3.118 -4.078 1.00 15.12 H new ATOM 0 HG22 THR A 75 0.159 3.488 -2.999 1.00 15.12 H new ATOM 0 HG23 THR A 75 -1.478 3.295 -2.328 1.00 15.12 H new ATOM 1216 N LEU A 76 1.663 6.337 -2.382 1.00 22.14 N ATOM 1217 CA LEU A 76 3.085 6.178 -2.064 1.00 10.45 C ATOM 1218 C LEU A 76 3.358 6.466 -0.591 1.00 45.32 C ATOM 1219 O LEU A 76 4.087 5.722 0.069 1.00 32.41 O ATOM 1220 CB LEU A 76 3.945 7.099 -2.935 1.00 4.34 C ATOM 1221 CG LEU A 76 4.144 6.634 -4.376 1.00 32.02 C ATOM 1222 CD1 LEU A 76 4.854 7.705 -5.187 1.00 31.53 C ATOM 1223 CD2 LEU A 76 4.933 5.334 -4.407 1.00 53.30 C ATOM 0 H LEU A 76 1.473 7.006 -3.128 1.00 22.14 H new ATOM 0 HA LEU A 76 3.350 5.141 -2.272 1.00 10.45 H new ATOM 0 HB2 LEU A 76 3.489 8.089 -2.950 1.00 4.34 H new ATOM 0 HB3 LEU A 76 4.923 7.206 -2.466 1.00 4.34 H new ATOM 0 HG LEU A 76 3.165 6.457 -4.822 1.00 32.02 H new ATOM 0 HD11 LEU A 76 4.988 7.357 -6.211 1.00 31.53 H new ATOM 0 HD12 LEU A 76 4.256 8.616 -5.188 1.00 31.53 H new ATOM 0 HD13 LEU A 76 5.828 7.911 -4.744 1.00 31.53 H new ATOM 0 HD21 LEU A 76 5.067 5.014 -5.440 1.00 53.30 H new ATOM 0 HD22 LEU A 76 5.908 5.489 -3.946 1.00 53.30 H new ATOM 0 HD23 LEU A 76 4.390 4.565 -3.857 1.00 53.30 H new ATOM 1235 N ARG A 77 2.764 7.541 -0.081 1.00 70.23 N ATOM 1236 CA ARG A 77 2.905 7.894 1.330 1.00 21.53 C ATOM 1237 C ARG A 77 2.431 6.749 2.215 1.00 50.00 C ATOM 1238 O ARG A 77 3.132 6.331 3.139 1.00 24.33 O ATOM 1239 CB ARG A 77 2.110 9.159 1.655 1.00 0.24 C ATOM 1240 CG ARG A 77 2.665 10.420 1.015 1.00 32.40 C ATOM 1241 CD ARG A 77 1.788 11.621 1.325 1.00 74.05 C ATOM 1242 NE ARG A 77 2.352 12.866 0.809 1.00 20.04 N ATOM 1243 CZ ARG A 77 1.685 13.722 0.036 1.00 72.33 C ATOM 1244 NH1 ARG A 77 0.438 13.453 -0.335 1.00 10.20 N ATOM 1245 NH2 ARG A 77 2.267 14.846 -0.365 1.00 12.41 N ATOM 0 H ARG A 77 2.182 8.182 -0.621 1.00 70.23 H new ATOM 0 HA ARG A 77 3.961 8.083 1.526 1.00 21.53 H new ATOM 0 HB2 ARG A 77 1.079 9.022 1.328 1.00 0.24 H new ATOM 0 HB3 ARG A 77 2.087 9.293 2.736 1.00 0.24 H new ATOM 0 HG2 ARG A 77 3.677 10.601 1.378 1.00 32.40 H new ATOM 0 HG3 ARG A 77 2.733 10.284 -0.064 1.00 32.40 H new ATOM 0 HD2 ARG A 77 0.799 11.467 0.894 1.00 74.05 H new ATOM 0 HD3 ARG A 77 1.657 11.704 2.404 1.00 74.05 H new ATOM 0 HE ARG A 77 3.315 13.094 1.056 1.00 20.04 H new ATOM 0 HH11 ARG A 77 -0.010 12.590 -0.028 1.00 10.20 H new ATOM 0 HH12 ARG A 77 -0.071 14.110 -0.927 1.00 10.20 H new ATOM 0 HH21 ARG A 77 3.224 15.054 -0.081 1.00 12.41 H new ATOM 0 HH22 ARG A 77 1.757 15.502 -0.957 1.00 12.41 H new ATOM 1259 N TRP A 78 1.250 6.232 1.906 1.00 73.41 N ATOM 1260 CA TRP A 78 0.657 5.147 2.675 1.00 4.52 C ATOM 1261 C TRP A 78 1.503 3.881 2.556 1.00 32.22 C ATOM 1262 O TRP A 78 1.734 3.183 3.542 1.00 62.21 O ATOM 1263 CB TRP A 78 -0.770 4.880 2.185 1.00 71.15 C ATOM 1264 CG TRP A 78 -1.575 4.004 3.102 1.00 24.20 C ATOM 1265 CD1 TRP A 78 -1.627 2.641 3.102 1.00 70.41 C ATOM 1266 CD2 TRP A 78 -2.451 4.439 4.147 1.00 41.14 C ATOM 1267 NE1 TRP A 78 -2.481 2.202 4.084 1.00 24.33 N ATOM 1268 CE2 TRP A 78 -2.998 3.287 4.741 1.00 4.34 C ATOM 1269 CE3 TRP A 78 -2.825 5.691 4.642 1.00 31.32 C ATOM 1270 CZ2 TRP A 78 -3.900 3.350 5.799 1.00 72.42 C ATOM 1271 CZ3 TRP A 78 -3.716 5.753 5.695 1.00 14.25 C ATOM 1272 CH2 TRP A 78 -4.245 4.588 6.265 1.00 30.23 C ATOM 0 H TRP A 78 0.680 6.550 1.122 1.00 73.41 H new ATOM 0 HA TRP A 78 0.623 5.439 3.724 1.00 4.52 H new ATOM 0 HB2 TRP A 78 -1.286 5.832 2.063 1.00 71.15 H new ATOM 0 HB3 TRP A 78 -0.724 4.414 1.201 1.00 71.15 H new ATOM 0 HD1 TRP A 78 -1.077 2.001 2.428 1.00 70.41 H new ATOM 0 HE1 TRP A 78 -2.695 1.226 4.291 1.00 24.33 H new ATOM 0 HE3 TRP A 78 -2.424 6.595 4.208 1.00 31.32 H new ATOM 0 HZ2 TRP A 78 -4.313 2.453 6.236 1.00 72.42 H new ATOM 0 HZ3 TRP A 78 -4.010 6.716 6.086 1.00 14.25 H new ATOM 0 HH2 TRP A 78 -4.939 4.669 7.089 1.00 30.23 H new ATOM 1283 N LEU A 79 1.973 3.600 1.345 1.00 70.12 N ATOM 1284 CA LEU A 79 2.796 2.424 1.090 1.00 33.34 C ATOM 1285 C LEU A 79 4.085 2.471 1.895 1.00 51.51 C ATOM 1286 O LEU A 79 4.440 1.503 2.571 1.00 63.33 O ATOM 1287 CB LEU A 79 3.130 2.313 -0.398 1.00 22.12 C ATOM 1288 CG LEU A 79 1.938 2.066 -1.319 1.00 25.54 C ATOM 1289 CD1 LEU A 79 2.373 2.111 -2.775 1.00 54.14 C ATOM 1290 CD2 LEU A 79 1.283 0.732 -0.995 1.00 11.43 C ATOM 0 H LEU A 79 1.796 4.174 0.521 1.00 70.12 H new ATOM 0 HA LEU A 79 2.222 1.549 1.397 1.00 33.34 H new ATOM 0 HB2 LEU A 79 3.626 3.232 -0.711 1.00 22.12 H new ATOM 0 HB3 LEU A 79 3.846 1.502 -0.533 1.00 22.12 H new ATOM 0 HG LEU A 79 1.205 2.856 -1.156 1.00 25.54 H new ATOM 0 HD11 LEU A 79 1.511 1.933 -3.418 1.00 54.14 H new ATOM 0 HD12 LEU A 79 2.796 3.090 -2.998 1.00 54.14 H new ATOM 0 HD13 LEU A 79 3.124 1.342 -2.954 1.00 54.14 H new ATOM 0 HD21 LEU A 79 0.435 0.572 -1.661 1.00 11.43 H new ATOM 0 HD22 LEU A 79 2.007 -0.071 -1.130 1.00 11.43 H new ATOM 0 HD23 LEU A 79 0.937 0.738 0.038 1.00 11.43 H new ATOM 1302 N LYS A 80 4.779 3.603 1.835 1.00 72.22 N ATOM 1303 CA LYS A 80 6.045 3.746 2.516 1.00 32.03 C ATOM 1304 C LYS A 80 5.852 3.618 4.021 1.00 11.31 C ATOM 1305 O LYS A 80 6.643 2.964 4.691 1.00 33.32 O ATOM 1306 CB LYS A 80 6.700 5.079 2.137 1.00 53.32 C ATOM 1307 CG LYS A 80 7.916 5.429 2.976 1.00 14.53 C ATOM 1308 CD LYS A 80 7.549 6.398 4.079 1.00 1.35 C ATOM 1309 CE LYS A 80 7.325 7.799 3.536 1.00 74.41 C ATOM 1310 NZ LYS A 80 8.602 8.438 3.113 1.00 32.34 N ATOM 0 H LYS A 80 4.479 4.431 1.320 1.00 72.22 H new ATOM 0 HA LYS A 80 6.716 2.946 2.202 1.00 32.03 H new ATOM 0 HB2 LYS A 80 6.993 5.043 1.088 1.00 53.32 H new ATOM 0 HB3 LYS A 80 5.962 5.875 2.235 1.00 53.32 H new ATOM 0 HG2 LYS A 80 8.338 4.522 3.409 1.00 14.53 H new ATOM 0 HG3 LYS A 80 8.686 5.868 2.342 1.00 14.53 H new ATOM 0 HD2 LYS A 80 6.646 6.053 4.583 1.00 1.35 H new ATOM 0 HD3 LYS A 80 8.343 6.418 4.826 1.00 1.35 H new ATOM 0 HE2 LYS A 80 6.642 7.755 2.688 1.00 74.41 H new ATOM 0 HE3 LYS A 80 6.847 8.413 4.299 1.00 74.41 H new ATOM 0 HZ1 LYS A 80 8.451 9.458 2.974 1.00 32.34 H new ATOM 0 HZ2 LYS A 80 9.323 8.292 3.848 1.00 32.34 H new ATOM 0 HZ3 LYS A 80 8.925 8.012 2.221 1.00 32.34 H new ATOM 1324 N ARG A 81 4.782 4.217 4.535 1.00 14.10 N ATOM 1325 CA ARG A 81 4.454 4.115 5.955 1.00 5.31 C ATOM 1326 C ARG A 81 4.126 2.676 6.340 1.00 0.34 C ATOM 1327 O ARG A 81 4.566 2.182 7.378 1.00 40.33 O ATOM 1328 CB ARG A 81 3.260 5.003 6.303 1.00 43.43 C ATOM 1329 CG ARG A 81 3.548 6.493 6.272 1.00 24.30 C ATOM 1330 CD ARG A 81 2.301 7.279 6.637 1.00 13.32 C ATOM 1331 NE ARG A 81 2.552 8.713 6.760 1.00 3.23 N ATOM 1332 CZ ARG A 81 1.817 9.529 7.511 1.00 22.02 C ATOM 1333 NH1 ARG A 81 0.782 9.056 8.197 1.00 61.14 N ATOM 1334 NH2 ARG A 81 2.115 10.818 7.585 1.00 41.44 N ATOM 0 H ARG A 81 4.127 4.778 3.990 1.00 14.10 H new ATOM 0 HA ARG A 81 5.330 4.447 6.513 1.00 5.31 H new ATOM 0 HB2 ARG A 81 2.450 4.789 5.606 1.00 43.43 H new ATOM 0 HB3 ARG A 81 2.904 4.736 7.298 1.00 43.43 H new ATOM 0 HG2 ARG A 81 4.352 6.729 6.969 1.00 24.30 H new ATOM 0 HG3 ARG A 81 3.891 6.783 5.279 1.00 24.30 H new ATOM 0 HD2 ARG A 81 1.537 7.112 5.878 1.00 13.32 H new ATOM 0 HD3 ARG A 81 1.902 6.902 7.579 1.00 13.32 H new ATOM 0 HE ARG A 81 3.335 9.111 6.241 1.00 3.23 H new ATOM 0 HH11 ARG A 81 0.549 8.064 8.149 1.00 61.14 H new ATOM 0 HH12 ARG A 81 0.221 9.685 8.772 1.00 61.14 H new ATOM 0 HH21 ARG A 81 2.911 11.188 7.065 1.00 41.44 H new ATOM 0 HH22 ARG A 81 1.549 11.440 8.162 1.00 41.44 H new ATOM 1348 N MET A 82 3.348 2.011 5.493 1.00 75.44 N ATOM 1349 CA MET A 82 2.944 0.630 5.734 1.00 1.21 C ATOM 1350 C MET A 82 4.162 -0.287 5.801 1.00 21.21 C ATOM 1351 O MET A 82 4.278 -1.119 6.702 1.00 32.34 O ATOM 1352 CB MET A 82 1.982 0.163 4.637 1.00 11.14 C ATOM 1353 CG MET A 82 1.464 -1.251 4.835 1.00 11.40 C ATOM 1354 SD MET A 82 0.289 -1.744 3.560 1.00 44.13 S ATOM 1355 CE MET A 82 1.300 -1.600 2.090 1.00 43.11 C ATOM 0 H MET A 82 2.982 2.409 4.628 1.00 75.44 H new ATOM 0 HA MET A 82 2.431 0.583 6.695 1.00 1.21 H new ATOM 0 HB2 MET A 82 1.135 0.847 4.595 1.00 11.14 H new ATOM 0 HB3 MET A 82 2.488 0.223 3.674 1.00 11.14 H new ATOM 0 HG2 MET A 82 2.305 -1.945 4.837 1.00 11.40 H new ATOM 0 HG3 MET A 82 0.987 -1.326 5.812 1.00 11.40 H new ATOM 0 HE1 MET A 82 0.822 -2.131 1.267 1.00 43.11 H new ATOM 0 HE2 MET A 82 1.412 -0.548 1.827 1.00 43.11 H new ATOM 0 HE3 MET A 82 2.282 -2.033 2.280 1.00 43.11 H new ATOM 1365 N PHE A 83 5.076 -0.122 4.859 1.00 61.44 N ATOM 1366 CA PHE A 83 6.297 -0.914 4.847 1.00 13.30 C ATOM 1367 C PHE A 83 7.269 -0.428 5.916 1.00 52.11 C ATOM 1368 O PHE A 83 8.133 -1.178 6.372 1.00 34.40 O ATOM 1369 CB PHE A 83 6.946 -0.880 3.464 1.00 24.11 C ATOM 1370 CG PHE A 83 6.123 -1.563 2.408 1.00 74.23 C ATOM 1371 CD1 PHE A 83 5.711 -2.875 2.581 1.00 52.45 C ATOM 1372 CD2 PHE A 83 5.768 -0.902 1.245 1.00 4.05 C ATOM 1373 CE1 PHE A 83 4.959 -3.513 1.614 1.00 74.55 C ATOM 1374 CE2 PHE A 83 5.015 -1.535 0.276 1.00 14.41 C ATOM 1375 CZ PHE A 83 4.610 -2.842 0.460 1.00 41.53 C ATOM 0 H PHE A 83 4.997 0.550 4.095 1.00 61.44 H new ATOM 0 HA PHE A 83 6.036 -1.947 5.075 1.00 13.30 H new ATOM 0 HB2 PHE A 83 7.111 0.157 3.173 1.00 24.11 H new ATOM 0 HB3 PHE A 83 7.925 -1.356 3.517 1.00 24.11 H new ATOM 0 HD1 PHE A 83 5.981 -3.405 3.483 1.00 52.45 H new ATOM 0 HD2 PHE A 83 6.083 0.120 1.094 1.00 4.05 H new ATOM 0 HE1 PHE A 83 4.645 -4.536 1.761 1.00 74.55 H new ATOM 0 HE2 PHE A 83 4.743 -1.007 -0.626 1.00 14.41 H new ATOM 0 HZ PHE A 83 4.021 -3.338 -0.298 1.00 41.53 H new ATOM 1385 N ASN A 84 7.129 0.830 6.308 1.00 13.40 N ATOM 1386 CA ASN A 84 7.916 1.383 7.402 1.00 3.04 C ATOM 1387 C ASN A 84 7.493 0.737 8.716 1.00 32.40 C ATOM 1388 O ASN A 84 8.314 0.515 9.601 1.00 14.14 O ATOM 1389 CB ASN A 84 7.750 2.906 7.471 1.00 64.10 C ATOM 1390 CG ASN A 84 8.600 3.554 8.549 1.00 1.44 C ATOM 1391 OD1 ASN A 84 9.771 3.866 8.329 1.00 71.50 O ATOM 1392 ND2 ASN A 84 8.008 3.790 9.707 1.00 42.04 N ATOM 0 H ASN A 84 6.476 1.489 5.884 1.00 13.40 H new ATOM 0 HA ASN A 84 8.970 1.167 7.224 1.00 3.04 H new ATOM 0 HB2 ASN A 84 8.011 3.337 6.504 1.00 64.10 H new ATOM 0 HB3 ASN A 84 6.702 3.142 7.653 1.00 64.10 H new ATOM 0 HD21 ASN A 84 8.523 4.247 10.459 1.00 42.04 H new ATOM 0 HD22 ASN A 84 7.036 3.515 9.848 1.00 42.04 H new ATOM 1399 N TYR A 85 6.206 0.417 8.823 1.00 43.14 N ATOM 1400 CA TYR A 85 5.678 -0.298 9.978 1.00 45.31 C ATOM 1401 C TYR A 85 6.329 -1.676 10.089 1.00 54.34 C ATOM 1402 O TYR A 85 6.565 -2.176 11.190 1.00 0.45 O ATOM 1403 CB TYR A 85 4.154 -0.435 9.869 1.00 72.33 C ATOM 1404 CG TYR A 85 3.540 -1.244 10.990 1.00 50.32 C ATOM 1405 CD1 TYR A 85 3.276 -0.671 12.229 1.00 73.43 C ATOM 1406 CD2 TYR A 85 3.242 -2.587 10.813 1.00 64.03 C ATOM 1407 CE1 TYR A 85 2.731 -1.418 13.256 1.00 45.33 C ATOM 1408 CE2 TYR A 85 2.703 -3.338 11.834 1.00 42.12 C ATOM 1409 CZ TYR A 85 2.450 -2.750 13.052 1.00 62.11 C ATOM 1410 OH TYR A 85 1.925 -3.507 14.069 1.00 15.30 O ATOM 0 H TYR A 85 5.506 0.644 8.117 1.00 43.14 H new ATOM 0 HA TYR A 85 5.911 0.271 10.878 1.00 45.31 H new ATOM 0 HB2 TYR A 85 3.707 0.559 9.862 1.00 72.33 H new ATOM 0 HB3 TYR A 85 3.906 -0.903 8.916 1.00 72.33 H new ATOM 0 HD1 TYR A 85 3.500 0.373 12.391 1.00 73.43 H new ATOM 0 HD2 TYR A 85 3.436 -3.052 9.858 1.00 64.03 H new ATOM 0 HE1 TYR A 85 2.527 -0.960 14.212 1.00 45.33 H new ATOM 0 HE2 TYR A 85 2.480 -4.383 11.679 1.00 42.12 H new ATOM 0 HH TYR A 85 0.999 -3.745 13.855 1.00 15.30 H new ATOM 1420 N ALA A 86 6.624 -2.283 8.943 1.00 54.10 N ATOM 1421 CA ALA A 86 7.297 -3.576 8.914 1.00 53.23 C ATOM 1422 C ALA A 86 8.721 -3.449 9.442 1.00 42.42 C ATOM 1423 O ALA A 86 9.248 -4.370 10.064 1.00 31.41 O ATOM 1424 CB ALA A 86 7.298 -4.141 7.502 1.00 3.43 C ATOM 0 H ALA A 86 6.407 -1.900 8.023 1.00 54.10 H new ATOM 0 HA ALA A 86 6.753 -4.264 9.560 1.00 53.23 H new ATOM 0 HB1 ALA A 86 7.804 -5.106 7.497 1.00 3.43 H new ATOM 0 HB2 ALA A 86 6.271 -4.268 7.160 1.00 3.43 H new ATOM 0 HB3 ALA A 86 7.820 -3.454 6.836 1.00 3.43 H new ATOM 1430 N ILE A 87 9.333 -2.297 9.191 1.00 2.55 N ATOM 1431 CA ILE A 87 10.668 -2.008 9.706 1.00 3.42 C ATOM 1432 C ILE A 87 10.577 -1.611 11.179 1.00 13.33 C ATOM 1433 O ILE A 87 11.462 -1.919 11.976 1.00 64.32 O ATOM 1434 CB ILE A 87 11.355 -0.883 8.899 1.00 23.10 C ATOM 1435 CG1 ILE A 87 11.414 -1.264 7.416 1.00 53.25 C ATOM 1436 CG2 ILE A 87 12.758 -0.611 9.439 1.00 71.02 C ATOM 1437 CD1 ILE A 87 12.005 -0.190 6.530 1.00 73.45 C ATOM 0 H ILE A 87 8.926 -1.546 8.633 1.00 2.55 H new ATOM 0 HA ILE A 87 11.272 -2.909 9.605 1.00 3.42 H new ATOM 0 HB ILE A 87 10.769 0.030 9.004 1.00 23.10 H new ATOM 0 HG12 ILE A 87 12.003 -2.175 7.308 1.00 53.25 H new ATOM 0 HG13 ILE A 87 10.406 -1.493 7.070 1.00 53.25 H new ATOM 0 HG21 ILE A 87 13.224 0.184 8.857 1.00 71.02 H new ATOM 0 HG22 ILE A 87 12.693 -0.306 10.483 1.00 71.02 H new ATOM 0 HG23 ILE A 87 13.359 -1.517 9.362 1.00 71.02 H new ATOM 0 HD11 ILE A 87 12.012 -0.535 5.496 1.00 73.45 H new ATOM 0 HD12 ILE A 87 11.404 0.716 6.606 1.00 73.45 H new ATOM 0 HD13 ILE A 87 13.025 0.024 6.849 1.00 73.45 H new ATOM 1449 N LYS A 88 9.486 -0.938 11.524 1.00 1.22 N ATOM 1450 CA LYS A 88 9.169 -0.599 12.908 1.00 43.11 C ATOM 1451 C LYS A 88 9.045 -1.872 13.747 1.00 15.44 C ATOM 1452 O LYS A 88 9.607 -1.970 14.839 1.00 60.54 O ATOM 1453 CB LYS A 88 7.874 0.234 12.929 1.00 54.11 C ATOM 1454 CG LYS A 88 7.301 0.545 14.307 1.00 44.34 C ATOM 1455 CD LYS A 88 6.352 -0.549 14.779 1.00 63.23 C ATOM 1456 CE LYS A 88 5.428 -0.065 15.884 1.00 62.11 C ATOM 1457 NZ LYS A 88 6.173 0.463 17.058 1.00 11.31 N ATOM 0 H LYS A 88 8.793 -0.611 10.851 1.00 1.22 H new ATOM 0 HA LYS A 88 9.970 -0.004 13.347 1.00 43.11 H new ATOM 0 HB2 LYS A 88 8.064 1.176 12.415 1.00 54.11 H new ATOM 0 HB3 LYS A 88 7.115 -0.296 12.353 1.00 54.11 H new ATOM 0 HG2 LYS A 88 8.115 0.656 15.024 1.00 44.34 H new ATOM 0 HG3 LYS A 88 6.772 1.498 14.275 1.00 44.34 H new ATOM 0 HD2 LYS A 88 5.756 -0.900 13.936 1.00 63.23 H new ATOM 0 HD3 LYS A 88 6.930 -1.401 15.137 1.00 63.23 H new ATOM 0 HE2 LYS A 88 4.775 0.714 15.492 1.00 62.11 H new ATOM 0 HE3 LYS A 88 4.787 -0.887 16.204 1.00 62.11 H new ATOM 0 HZ1 LYS A 88 5.506 0.669 17.828 1.00 11.31 H new ATOM 0 HZ2 LYS A 88 6.863 -0.246 17.378 1.00 11.31 H new ATOM 0 HZ3 LYS A 88 6.672 1.335 16.789 1.00 11.31 H new ATOM 1471 N ARG A 89 8.324 -2.854 13.215 1.00 41.11 N ATOM 1472 CA ARG A 89 8.224 -4.164 13.851 1.00 31.10 C ATOM 1473 C ARG A 89 9.525 -4.941 13.696 1.00 62.44 C ATOM 1474 O ARG A 89 9.721 -5.969 14.343 1.00 73.20 O ATOM 1475 CB ARG A 89 7.081 -4.985 13.255 1.00 70.35 C ATOM 1476 CG ARG A 89 5.724 -4.736 13.890 1.00 12.03 C ATOM 1477 CD ARG A 89 4.752 -5.847 13.520 1.00 52.13 C ATOM 1478 NE ARG A 89 3.486 -5.758 14.247 1.00 41.24 N ATOM 1479 CZ ARG A 89 3.038 -6.704 15.072 1.00 21.25 C ATOM 1480 NH1 ARG A 89 3.802 -7.750 15.372 1.00 33.03 N ATOM 1481 NH2 ARG A 89 1.828 -6.601 15.608 1.00 71.20 N ATOM 0 H ARG A 89 7.800 -2.768 12.344 1.00 41.11 H new ATOM 0 HA ARG A 89 8.025 -3.993 14.909 1.00 31.10 H new ATOM 0 HB2 ARG A 89 7.014 -4.769 12.189 1.00 70.35 H new ATOM 0 HB3 ARG A 89 7.323 -6.043 13.351 1.00 70.35 H new ATOM 0 HG2 ARG A 89 5.827 -4.681 14.974 1.00 12.03 H new ATOM 0 HG3 ARG A 89 5.331 -3.775 13.558 1.00 12.03 H new ATOM 0 HD2 ARG A 89 4.554 -5.808 12.449 1.00 52.13 H new ATOM 0 HD3 ARG A 89 5.216 -6.812 13.724 1.00 52.13 H new ATOM 0 HE ARG A 89 2.913 -4.924 14.115 1.00 41.24 H new ATOM 0 HH11 ARG A 89 4.736 -7.831 14.970 1.00 33.03 H new ATOM 0 HH12 ARG A 89 3.454 -8.471 16.004 1.00 33.03 H new ATOM 0 HH21 ARG A 89 1.240 -5.797 15.389 1.00 71.20 H new ATOM 0 HH22 ARG A 89 1.486 -7.326 16.239 1.00 71.20 H new ATOM 1495 N HIS A 90 10.399 -4.442 12.825 1.00 32.01 N ATOM 1496 CA HIS A 90 11.688 -5.075 12.549 1.00 4.44 C ATOM 1497 C HIS A 90 11.496 -6.464 11.956 1.00 43.01 C ATOM 1498 O HIS A 90 12.208 -7.409 12.294 1.00 71.43 O ATOM 1499 CB HIS A 90 12.547 -5.131 13.816 1.00 11.23 C ATOM 1500 CG HIS A 90 13.063 -3.790 14.232 1.00 13.13 C ATOM 1501 ND1 HIS A 90 12.634 -3.119 15.355 1.00 33.55 N ATOM 1502 CD2 HIS A 90 13.987 -2.992 13.651 1.00 23.22 C ATOM 1503 CE1 HIS A 90 13.268 -1.967 15.446 1.00 62.41 C ATOM 1504 NE2 HIS A 90 14.095 -1.868 14.423 1.00 30.32 N ATOM 0 H HIS A 90 10.235 -3.589 12.291 1.00 32.01 H new ATOM 0 HA HIS A 90 12.214 -4.468 11.812 1.00 4.44 H new ATOM 0 HB2 HIS A 90 11.958 -5.556 14.629 1.00 11.23 H new ATOM 0 HB3 HIS A 90 13.389 -5.802 13.648 1.00 11.23 H new ATOM 0 HD2 HIS A 90 14.537 -3.203 12.746 1.00 23.22 H new ATOM 0 HE1 HIS A 90 13.134 -1.231 16.224 1.00 62.41 H new ATOM 0 HE2 HIS A 90 14.715 -1.080 14.237 1.00 30.32 H new ATOM 1513 N ILE A 91 10.537 -6.564 11.050 1.00 53.15 N ATOM 1514 CA ILE A 91 10.239 -7.815 10.371 1.00 74.50 C ATOM 1515 C ILE A 91 11.176 -8.010 9.185 1.00 1.23 C ATOM 1516 O ILE A 91 11.951 -8.964 9.141 1.00 53.14 O ATOM 1517 CB ILE A 91 8.774 -7.850 9.879 1.00 51.25 C ATOM 1518 CG1 ILE A 91 7.810 -7.711 11.061 1.00 13.21 C ATOM 1519 CG2 ILE A 91 8.493 -9.138 9.113 1.00 44.13 C ATOM 1520 CD1 ILE A 91 6.352 -7.668 10.653 1.00 61.31 C ATOM 0 H ILE A 91 9.945 -5.784 10.765 1.00 53.15 H new ATOM 0 HA ILE A 91 10.385 -8.623 11.088 1.00 74.50 H new ATOM 0 HB ILE A 91 8.620 -7.009 9.203 1.00 51.25 H new ATOM 0 HG12 ILE A 91 7.963 -8.547 11.744 1.00 13.21 H new ATOM 0 HG13 ILE A 91 8.052 -6.802 11.611 1.00 13.21 H new ATOM 0 HG21 ILE A 91 7.456 -9.142 8.776 1.00 44.13 H new ATOM 0 HG22 ILE A 91 9.156 -9.200 8.250 1.00 44.13 H new ATOM 0 HG23 ILE A 91 8.666 -9.994 9.765 1.00 44.13 H new ATOM 0 HD11 ILE A 91 5.728 -7.569 11.541 1.00 61.31 H new ATOM 0 HD12 ILE A 91 6.183 -6.816 9.994 1.00 61.31 H new ATOM 0 HD13 ILE A 91 6.093 -8.588 10.129 1.00 61.31 H new ATOM 1532 N ILE A 92 11.114 -7.086 8.236 1.00 72.44 N ATOM 1533 CA ILE A 92 11.925 -7.178 7.031 1.00 61.21 C ATOM 1534 C ILE A 92 12.863 -5.987 6.915 1.00 4.12 C ATOM 1535 O ILE A 92 12.631 -4.937 7.516 1.00 32.25 O ATOM 1536 CB ILE A 92 11.062 -7.242 5.748 1.00 1.34 C ATOM 1537 CG1 ILE A 92 10.202 -5.980 5.615 1.00 64.03 C ATOM 1538 CG2 ILE A 92 10.192 -8.491 5.749 1.00 24.43 C ATOM 1539 CD1 ILE A 92 9.533 -5.835 4.264 1.00 33.35 C ATOM 0 H ILE A 92 10.511 -6.265 8.278 1.00 72.44 H new ATOM 0 HA ILE A 92 12.496 -8.102 7.120 1.00 61.21 H new ATOM 0 HB ILE A 92 11.728 -7.293 4.887 1.00 1.34 H new ATOM 0 HG12 ILE A 92 9.436 -5.991 6.390 1.00 64.03 H new ATOM 0 HG13 ILE A 92 10.827 -5.105 5.796 1.00 64.03 H new ATOM 0 HG21 ILE A 92 9.593 -8.518 4.839 1.00 24.43 H new ATOM 0 HG22 ILE A 92 10.826 -9.376 5.792 1.00 24.43 H new ATOM 0 HG23 ILE A 92 9.533 -8.475 6.617 1.00 24.43 H new ATOM 0 HD11 ILE A 92 8.943 -4.919 4.247 1.00 33.35 H new ATOM 0 HD12 ILE A 92 10.293 -5.791 3.484 1.00 33.35 H new ATOM 0 HD13 ILE A 92 8.881 -6.690 4.087 1.00 33.35 H new ATOM 1551 N GLU A 93 13.912 -6.160 6.130 1.00 54.23 N ATOM 1552 CA GLU A 93 14.845 -5.086 5.844 1.00 31.44 C ATOM 1553 C GLU A 93 14.958 -4.902 4.333 1.00 41.41 C ATOM 1554 O GLU A 93 15.820 -5.494 3.685 1.00 64.44 O ATOM 1555 CB GLU A 93 16.209 -5.389 6.467 1.00 31.13 C ATOM 1556 CG GLU A 93 17.256 -4.314 6.226 1.00 10.31 C ATOM 1557 CD GLU A 93 18.544 -4.598 6.961 1.00 23.23 C ATOM 1558 OE1 GLU A 93 19.279 -5.519 6.549 1.00 53.04 O ATOM 1559 OE2 GLU A 93 18.829 -3.901 7.959 1.00 71.04 O ATOM 0 H GLU A 93 14.140 -7.044 5.675 1.00 54.23 H new ATOM 0 HA GLU A 93 14.479 -4.158 6.282 1.00 31.44 H new ATOM 0 HB2 GLU A 93 16.083 -5.524 7.541 1.00 31.13 H new ATOM 0 HB3 GLU A 93 16.576 -6.334 6.068 1.00 31.13 H new ATOM 0 HG2 GLU A 93 17.458 -4.239 5.158 1.00 10.31 H new ATOM 0 HG3 GLU A 93 16.863 -3.348 6.545 1.00 10.31 H new ATOM 1566 N TYR A 94 14.043 -4.112 3.778 1.00 22.13 N ATOM 1567 CA TYR A 94 13.957 -3.904 2.333 1.00 55.54 C ATOM 1568 C TYR A 94 13.204 -2.619 2.008 1.00 44.25 C ATOM 1569 O TYR A 94 13.737 -1.734 1.343 1.00 62.35 O ATOM 1570 CB TYR A 94 13.244 -5.081 1.651 1.00 22.31 C ATOM 1571 CG TYR A 94 14.174 -6.131 1.089 1.00 2.05 C ATOM 1572 CD1 TYR A 94 14.871 -5.898 -0.088 1.00 41.11 C ATOM 1573 CD2 TYR A 94 14.348 -7.354 1.724 1.00 44.43 C ATOM 1574 CE1 TYR A 94 15.718 -6.849 -0.615 1.00 55.33 C ATOM 1575 CE2 TYR A 94 15.196 -8.313 1.202 1.00 50.23 C ATOM 1576 CZ TYR A 94 15.878 -8.054 0.033 1.00 64.12 C ATOM 1577 OH TYR A 94 16.727 -9.002 -0.493 1.00 54.42 O ATOM 0 H TYR A 94 13.342 -3.599 4.313 1.00 22.13 H new ATOM 0 HA TYR A 94 14.978 -3.830 1.958 1.00 55.54 H new ATOM 0 HB2 TYR A 94 12.576 -5.553 2.372 1.00 22.31 H new ATOM 0 HB3 TYR A 94 12.621 -4.695 0.844 1.00 22.31 H new ATOM 0 HD1 TYR A 94 14.748 -4.955 -0.600 1.00 41.11 H new ATOM 0 HD2 TYR A 94 13.813 -7.559 2.639 1.00 44.43 H new ATOM 0 HE1 TYR A 94 16.254 -6.650 -1.532 1.00 55.33 H new ATOM 0 HE2 TYR A 94 15.323 -9.259 1.707 1.00 50.23 H new ATOM 0 HH TYR A 94 16.729 -9.795 0.083 1.00 54.42 H new ATOM 1587 N ASN A 95 11.965 -2.536 2.499 1.00 60.41 N ATOM 1588 CA ASN A 95 11.044 -1.449 2.170 1.00 62.14 C ATOM 1589 C ASN A 95 10.770 -1.409 0.665 1.00 51.10 C ATOM 1590 O ASN A 95 11.419 -0.680 -0.082 1.00 53.03 O ATOM 1591 CB ASN A 95 11.566 -0.094 2.657 1.00 40.11 C ATOM 1592 CG ASN A 95 10.466 0.944 2.717 1.00 75.22 C ATOM 1593 OD1 ASN A 95 10.202 1.652 1.748 1.00 10.13 O ATOM 1594 ND2 ASN A 95 9.809 1.036 3.863 1.00 61.30 N ATOM 0 H ASN A 95 11.572 -3.226 3.139 1.00 60.41 H new ATOM 0 HA ASN A 95 10.107 -1.647 2.691 1.00 62.14 H new ATOM 0 HB2 ASN A 95 12.011 -0.210 3.645 1.00 40.11 H new ATOM 0 HB3 ASN A 95 12.356 0.252 1.991 1.00 40.11 H new ATOM 0 HD21 ASN A 95 9.053 1.713 3.965 1.00 61.30 H new ATOM 0 HD22 ASN A 95 10.059 0.430 4.644 1.00 61.30 H new ATOM 1601 N PRO A 96 9.797 -2.215 0.205 1.00 30.44 N ATOM 1602 CA PRO A 96 9.457 -2.343 -1.222 1.00 41.01 C ATOM 1603 C PRO A 96 8.853 -1.069 -1.820 1.00 42.01 C ATOM 1604 O PRO A 96 8.621 -0.994 -3.027 1.00 44.21 O ATOM 1605 CB PRO A 96 8.424 -3.479 -1.253 1.00 31.22 C ATOM 1606 CG PRO A 96 8.529 -4.149 0.075 1.00 22.03 C ATOM 1607 CD PRO A 96 8.965 -3.090 1.039 1.00 1.10 C ATOM 0 HA PRO A 96 10.349 -2.534 -1.818 1.00 41.01 H new ATOM 0 HB2 PRO A 96 7.419 -3.091 -1.419 1.00 31.22 H new ATOM 0 HB3 PRO A 96 8.633 -4.178 -2.063 1.00 31.22 H new ATOM 0 HG2 PRO A 96 7.572 -4.577 0.373 1.00 22.03 H new ATOM 0 HG3 PRO A 96 9.248 -4.967 0.043 1.00 22.03 H new ATOM 0 HD2 PRO A 96 8.116 -2.556 1.464 1.00 1.10 H new ATOM 0 HD3 PRO A 96 9.528 -3.509 1.873 1.00 1.10 H new ATOM 1615 N ALA A 97 8.607 -0.071 -0.977 1.00 13.35 N ATOM 1616 CA ALA A 97 8.053 1.201 -1.430 1.00 33.11 C ATOM 1617 C ALA A 97 9.109 2.000 -2.186 1.00 40.24 C ATOM 1618 O ALA A 97 8.796 2.949 -2.904 1.00 3.42 O ATOM 1619 CB ALA A 97 7.524 1.999 -0.250 1.00 31.24 C ATOM 0 H ALA A 97 8.783 -0.119 0.027 1.00 13.35 H new ATOM 0 HA ALA A 97 7.224 0.998 -2.107 1.00 33.11 H new ATOM 0 HB1 ALA A 97 7.114 2.945 -0.605 1.00 31.24 H new ATOM 0 HB2 ALA A 97 6.742 1.430 0.252 1.00 31.24 H new ATOM 0 HB3 ALA A 97 8.336 2.195 0.450 1.00 31.24 H new ATOM 1625 N ALA A 98 10.358 1.580 -2.037 1.00 50.25 N ATOM 1626 CA ALA A 98 11.488 2.212 -2.709 1.00 63.54 C ATOM 1627 C ALA A 98 11.446 1.986 -4.221 1.00 3.22 C ATOM 1628 O ALA A 98 12.299 2.483 -4.956 1.00 42.30 O ATOM 1629 CB ALA A 98 12.793 1.688 -2.132 1.00 21.53 C ATOM 0 H ALA A 98 10.618 0.790 -1.446 1.00 50.25 H new ATOM 0 HA ALA A 98 11.423 3.286 -2.537 1.00 63.54 H new ATOM 0 HB1 ALA A 98 13.632 2.164 -2.639 1.00 21.53 H new ATOM 0 HB2 ALA A 98 12.837 1.914 -1.067 1.00 21.53 H new ATOM 0 HB3 ALA A 98 12.847 0.609 -2.276 1.00 21.53 H new ATOM 1635 N ALA A 99 10.461 1.216 -4.671 1.00 14.30 N ATOM 1636 CA ALA A 99 10.278 0.929 -6.091 1.00 51.22 C ATOM 1637 C ALA A 99 10.100 2.205 -6.906 1.00 10.23 C ATOM 1638 O ALA A 99 10.450 2.257 -8.087 1.00 25.14 O ATOM 1639 CB ALA A 99 9.073 0.025 -6.286 1.00 35.12 C ATOM 0 H ALA A 99 9.769 0.774 -4.065 1.00 14.30 H new ATOM 0 HA ALA A 99 11.178 0.426 -6.446 1.00 51.22 H new ATOM 0 HB1 ALA A 99 8.943 -0.184 -7.348 1.00 35.12 H new ATOM 0 HB2 ALA A 99 9.229 -0.910 -5.748 1.00 35.12 H new ATOM 0 HB3 ALA A 99 8.181 0.520 -5.902 1.00 35.12 H new ATOM 1645 N PHE A 100 9.540 3.228 -6.282 1.00 25.21 N ATOM 1646 CA PHE A 100 9.316 4.494 -6.955 1.00 63.54 C ATOM 1647 C PHE A 100 9.885 5.629 -6.118 1.00 13.43 C ATOM 1648 O PHE A 100 9.635 5.705 -4.916 1.00 20.43 O ATOM 1649 CB PHE A 100 7.817 4.706 -7.194 1.00 73.34 C ATOM 1650 CG PHE A 100 7.509 5.807 -8.168 1.00 35.53 C ATOM 1651 CD1 PHE A 100 7.350 7.114 -7.737 1.00 45.33 C ATOM 1652 CD2 PHE A 100 7.371 5.528 -9.518 1.00 20.53 C ATOM 1653 CE1 PHE A 100 7.065 8.124 -8.636 1.00 64.23 C ATOM 1654 CE2 PHE A 100 7.086 6.532 -10.420 1.00 13.42 C ATOM 1655 CZ PHE A 100 6.930 7.831 -9.979 1.00 65.21 C ATOM 0 H PHE A 100 9.232 3.205 -5.310 1.00 25.21 H new ATOM 0 HA PHE A 100 9.822 4.480 -7.920 1.00 63.54 H new ATOM 0 HB2 PHE A 100 7.382 3.776 -7.561 1.00 73.34 H new ATOM 0 HB3 PHE A 100 7.335 4.930 -6.242 1.00 73.34 H new ATOM 0 HD1 PHE A 100 7.450 7.346 -6.687 1.00 45.33 H new ATOM 0 HD2 PHE A 100 7.488 4.513 -9.868 1.00 20.53 H new ATOM 0 HE1 PHE A 100 6.948 9.140 -8.289 1.00 64.23 H new ATOM 0 HE2 PHE A 100 6.985 6.302 -11.470 1.00 13.42 H new ATOM 0 HZ PHE A 100 6.703 8.617 -10.684 1.00 65.21 H new