USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 714 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 49 HIS : no HD1:sc= -1.71 K(o=-2.2,f=-13!) USER MOD Set 1.2: A 65 ASN : amide:sc= -0.537! C(o=-2.2!,f=-13!) USER MOD Set 2.1: A 21 TYR OH : rot -166:sc= 0.892 USER MOD Set 2.2: A 28 ASN : amide:sc= 0.0764! C(o=0.97!,f=-4.9!) USER MOD Set 3.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 HIS : no HD1:sc= 0 X(o=0,f=0.0012) USER MOD Single : A 7 THR OG1 : rot 27:sc= 0.0334 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.581 K(o=-0.58,f=-1.6) USER MOD Single : A 17 SER OG : rot 116:sc= 1.32 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.37 X(o=-1.4,f=-1.8) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.35 K(o=-1.3,f=-6.3!) USER MOD Single : A 37 GLN : amide:sc= -0.169 K(o=-0.17,f=-0.93) USER MOD Single : A 43 THR OG1 : rot 35:sc= 0.109 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.841 K(o=-0.84,f=-2.6!) USER MOD Single : A 70 THR OG1 : rot 107:sc= 1.15 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.873 USER MOD Single : A 73 ASN : amide:sc= 1.76 K(o=1.8,f=-8.6!) USER MOD Single : A 74 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.19) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot -108:sc= -0.76 USER MOD Single : A 99 MET CE :methyl 177:sc= 0 (180deg=-0.0151) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -5.051 -8.524 2.952 1.00 32.14 N ATOM 63 CA THR A 7 -4.517 -7.303 3.410 1.00 50.04 C ATOM 64 C THR A 7 -4.772 -6.258 2.346 1.00 44.32 C ATOM 65 O THR A 7 -4.278 -6.366 1.217 1.00 41.01 O ATOM 66 CB THR A 7 -2.991 -7.434 3.669 1.00 10.22 C ATOM 67 OG1 THR A 7 -2.760 -8.390 4.718 1.00 4.53 O ATOM 68 CG2 THR A 7 -2.361 -6.090 4.037 1.00 32.23 C ATOM 0 HA THR A 7 -4.991 -7.019 4.350 1.00 50.04 H new ATOM 0 HB THR A 7 -2.521 -7.776 2.747 1.00 10.22 H new ATOM 0 HG1 THR A 7 -3.498 -9.034 4.742 1.00 4.53 H new ATOM 0 HG21 THR A 7 -1.293 -6.224 4.210 1.00 32.23 H new ATOM 0 HG22 THR A 7 -2.510 -5.383 3.221 1.00 32.23 H new ATOM 0 HG23 THR A 7 -2.830 -5.704 4.942 1.00 32.23 H new ATOM 76 N SER A 8 -5.569 -5.301 2.676 1.00 12.22 N ATOM 77 CA SER A 8 -5.784 -4.194 1.819 1.00 54.24 C ATOM 78 C SER A 8 -5.199 -2.980 2.502 1.00 24.21 C ATOM 79 O SER A 8 -5.673 -2.574 3.566 1.00 51.53 O ATOM 80 CB SER A 8 -7.280 -3.982 1.608 1.00 53.40 C ATOM 81 OG SER A 8 -7.942 -5.183 1.193 1.00 4.41 O ATOM 0 H SER A 8 -6.091 -5.267 3.552 1.00 12.22 H new ATOM 0 HA SER A 8 -5.318 -4.364 0.849 1.00 54.24 H new ATOM 0 HB2 SER A 8 -7.729 -3.623 2.534 1.00 53.40 H new ATOM 0 HB3 SER A 8 -7.433 -3.206 0.858 1.00 53.40 H new ATOM 0 HG SER A 8 -8.898 -5.004 1.071 1.00 4.41 H new ATOM 87 N VAL A 9 -4.172 -2.412 1.933 1.00 51.33 N ATOM 88 CA VAL A 9 -3.587 -1.243 2.522 1.00 1.42 C ATOM 89 C VAL A 9 -4.292 -0.047 1.963 1.00 31.31 C ATOM 90 O VAL A 9 -4.159 0.278 0.781 1.00 60.40 O ATOM 91 CB VAL A 9 -2.065 -1.141 2.284 1.00 25.42 C ATOM 92 CG1 VAL A 9 -1.494 0.072 3.009 1.00 60.30 C ATOM 93 CG2 VAL A 9 -1.371 -2.402 2.753 1.00 25.24 C ATOM 0 H VAL A 9 -3.728 -2.735 1.073 1.00 51.33 H new ATOM 0 HA VAL A 9 -3.710 -1.300 3.604 1.00 1.42 H new ATOM 0 HB VAL A 9 -1.891 -1.024 1.214 1.00 25.42 H new ATOM 0 HG11 VAL A 9 -0.420 0.130 2.831 1.00 60.30 H new ATOM 0 HG12 VAL A 9 -1.973 0.977 2.636 1.00 60.30 H new ATOM 0 HG13 VAL A 9 -1.680 -0.023 4.079 1.00 60.30 H new ATOM 0 HG21 VAL A 9 -0.299 -2.314 2.578 1.00 25.24 H new ATOM 0 HG22 VAL A 9 -1.554 -2.544 3.818 1.00 25.24 H new ATOM 0 HG23 VAL A 9 -1.759 -3.258 2.201 1.00 25.24 H new ATOM 103 N THR A 10 -5.069 0.554 2.786 1.00 73.00 N ATOM 104 CA THR A 10 -5.867 1.652 2.410 1.00 44.01 C ATOM 105 C THR A 10 -5.330 2.878 3.099 1.00 4.45 C ATOM 106 O THR A 10 -5.154 2.890 4.325 1.00 61.33 O ATOM 107 CB THR A 10 -7.328 1.394 2.823 1.00 1.24 C ATOM 108 OG1 THR A 10 -7.702 0.076 2.363 1.00 22.22 O ATOM 109 CG2 THR A 10 -8.265 2.425 2.201 1.00 11.25 C ATOM 0 H THR A 10 -5.168 0.286 3.765 1.00 73.00 H new ATOM 0 HA THR A 10 -5.839 1.796 1.330 1.00 44.01 H new ATOM 0 HB THR A 10 -7.411 1.469 3.907 1.00 1.24 H new ATOM 0 HG1 THR A 10 -8.630 -0.108 2.618 1.00 22.22 H new ATOM 0 HG21 THR A 10 -9.290 2.218 2.510 1.00 11.25 H new ATOM 0 HG22 THR A 10 -7.980 3.423 2.534 1.00 11.25 H new ATOM 0 HG23 THR A 10 -8.196 2.371 1.115 1.00 11.25 H new ATOM 117 N LEU A 11 -4.996 3.856 2.329 1.00 45.22 N ATOM 118 CA LEU A 11 -4.523 5.069 2.868 1.00 62.20 C ATOM 119 C LEU A 11 -5.710 5.973 3.140 1.00 51.43 C ATOM 120 O LEU A 11 -6.607 6.100 2.300 1.00 30.31 O ATOM 121 CB LEU A 11 -3.424 5.698 1.956 1.00 24.14 C ATOM 122 CG LEU A 11 -3.775 6.148 0.520 1.00 20.11 C ATOM 123 CD1 LEU A 11 -4.500 7.496 0.489 1.00 31.20 C ATOM 124 CD2 LEU A 11 -2.520 6.201 -0.335 1.00 43.34 C ATOM 0 H LEU A 11 -5.046 3.830 1.311 1.00 45.22 H new ATOM 0 HA LEU A 11 -4.022 4.902 3.821 1.00 62.20 H new ATOM 0 HB2 LEU A 11 -3.027 6.567 2.480 1.00 24.14 H new ATOM 0 HB3 LEU A 11 -2.613 4.974 1.879 1.00 24.14 H new ATOM 0 HG LEU A 11 -4.462 5.408 0.109 1.00 20.11 H new ATOM 0 HD11 LEU A 11 -4.723 7.765 -0.543 1.00 31.20 H new ATOM 0 HD12 LEU A 11 -5.429 7.422 1.054 1.00 31.20 H new ATOM 0 HD13 LEU A 11 -3.864 8.261 0.934 1.00 31.20 H new ATOM 0 HD21 LEU A 11 -2.781 6.519 -1.344 1.00 43.34 H new ATOM 0 HD22 LEU A 11 -1.814 6.910 0.098 1.00 43.34 H new ATOM 0 HD23 LEU A 11 -2.064 5.212 -0.373 1.00 43.34 H new ATOM 136 N GLN A 12 -5.757 6.499 4.318 1.00 53.23 N ATOM 137 CA GLN A 12 -6.823 7.371 4.745 1.00 54.12 C ATOM 138 C GLN A 12 -6.228 8.775 4.839 1.00 51.40 C ATOM 139 O GLN A 12 -5.423 9.054 5.719 1.00 11.34 O ATOM 140 CB GLN A 12 -7.335 6.872 6.122 1.00 22.43 C ATOM 141 CG GLN A 12 -8.659 7.460 6.646 1.00 13.33 C ATOM 142 CD GLN A 12 -8.635 8.955 6.876 1.00 22.34 C ATOM 143 OE1 GLN A 12 -8.993 9.738 6.003 1.00 33.10 O ATOM 144 NE2 GLN A 12 -8.201 9.362 8.028 1.00 12.25 N ATOM 0 H GLN A 12 -5.046 6.338 5.032 1.00 53.23 H new ATOM 0 HA GLN A 12 -7.667 7.379 4.055 1.00 54.12 H new ATOM 0 HB2 GLN A 12 -7.447 5.789 6.067 1.00 22.43 H new ATOM 0 HB3 GLN A 12 -6.561 7.075 6.862 1.00 22.43 H new ATOM 0 HG2 GLN A 12 -9.452 7.227 5.935 1.00 13.33 H new ATOM 0 HG3 GLN A 12 -8.916 6.965 7.583 1.00 13.33 H new ATOM 0 HE21 GLN A 12 -7.911 8.684 8.732 1.00 12.25 H new ATOM 0 HE22 GLN A 12 -8.150 10.361 8.230 1.00 12.25 H new ATOM 153 N LEU A 13 -6.605 9.622 3.936 1.00 10.10 N ATOM 154 CA LEU A 13 -6.051 10.937 3.828 1.00 61.35 C ATOM 155 C LEU A 13 -7.148 11.965 4.011 1.00 13.23 C ATOM 156 O LEU A 13 -8.098 12.021 3.223 1.00 42.23 O ATOM 157 CB LEU A 13 -5.399 11.089 2.441 1.00 33.25 C ATOM 158 CG LEU A 13 -4.908 12.486 2.064 1.00 60.33 C ATOM 159 CD1 LEU A 13 -3.802 12.952 2.986 1.00 53.14 C ATOM 160 CD2 LEU A 13 -4.449 12.527 0.618 1.00 73.21 C ATOM 0 H LEU A 13 -7.320 9.417 3.238 1.00 10.10 H new ATOM 0 HA LEU A 13 -5.297 11.092 4.600 1.00 61.35 H new ATOM 0 HB2 LEU A 13 -4.553 10.404 2.386 1.00 33.25 H new ATOM 0 HB3 LEU A 13 -6.119 10.767 1.689 1.00 33.25 H new ATOM 0 HG LEU A 13 -5.749 13.170 2.178 1.00 60.33 H new ATOM 0 HD11 LEU A 13 -3.477 13.949 2.689 1.00 53.14 H new ATOM 0 HD12 LEU A 13 -4.171 12.981 4.011 1.00 53.14 H new ATOM 0 HD13 LEU A 13 -2.961 12.262 2.923 1.00 53.14 H new ATOM 0 HD21 LEU A 13 -4.104 13.532 0.374 1.00 73.21 H new ATOM 0 HD22 LEU A 13 -3.633 11.819 0.475 1.00 73.21 H new ATOM 0 HD23 LEU A 13 -5.280 12.260 -0.035 1.00 73.21 H new ATOM 172 N ASP A 14 -7.045 12.775 5.024 1.00 23.34 N ATOM 173 CA ASP A 14 -8.061 13.769 5.225 1.00 72.10 C ATOM 174 C ASP A 14 -7.504 15.157 5.352 1.00 70.12 C ATOM 175 O ASP A 14 -6.899 15.527 6.372 1.00 52.10 O ATOM 176 CB ASP A 14 -9.009 13.459 6.380 1.00 63.30 C ATOM 177 CG ASP A 14 -10.074 14.529 6.492 1.00 4.54 C ATOM 178 OD1 ASP A 14 -10.827 14.720 5.511 1.00 23.52 O ATOM 179 OD2 ASP A 14 -10.139 15.228 7.531 1.00 62.44 O ATOM 0 H ASP A 14 -6.289 12.771 5.709 1.00 23.34 H new ATOM 0 HA ASP A 14 -8.656 13.731 4.313 1.00 72.10 H new ATOM 0 HB2 ASP A 14 -9.477 12.487 6.224 1.00 63.30 H new ATOM 0 HB3 ASP A 14 -8.448 13.397 7.312 1.00 63.30 H new ATOM 184 N ASP A 15 -7.653 15.889 4.286 1.00 42.33 N ATOM 185 CA ASP A 15 -7.335 17.305 4.235 1.00 12.45 C ATOM 186 C ASP A 15 -8.559 17.996 4.772 1.00 40.22 C ATOM 187 O ASP A 15 -8.519 18.845 5.661 1.00 1.14 O ATOM 188 CB ASP A 15 -7.184 17.749 2.767 1.00 74.43 C ATOM 189 CG ASP A 15 -6.540 16.716 1.880 1.00 42.14 C ATOM 190 OD1 ASP A 15 -7.270 15.775 1.439 1.00 54.22 O ATOM 191 OD2 ASP A 15 -5.329 16.820 1.600 1.00 60.14 O ATOM 0 H ASP A 15 -8.006 15.519 3.403 1.00 42.33 H new ATOM 0 HA ASP A 15 -6.420 17.528 4.784 1.00 12.45 H new ATOM 0 HB2 ASP A 15 -8.169 17.993 2.368 1.00 74.43 H new ATOM 0 HB3 ASP A 15 -6.591 18.663 2.733 1.00 74.43 H new ATOM 196 N GLY A 16 -9.633 17.563 4.212 1.00 32.24 N ATOM 197 CA GLY A 16 -10.965 17.970 4.487 1.00 31.00 C ATOM 198 C GLY A 16 -11.760 17.314 3.413 1.00 1.05 C ATOM 199 O GLY A 16 -12.629 17.902 2.796 1.00 34.34 O ATOM 0 H GLY A 16 -9.597 16.850 3.484 1.00 32.24 H new ATOM 0 HA2 GLY A 16 -11.286 17.648 5.477 1.00 31.00 H new ATOM 0 HA3 GLY A 16 -11.067 19.055 4.456 1.00 31.00 H new ATOM 203 N SER A 17 -11.425 16.058 3.200 1.00 3.23 N ATOM 204 CA SER A 17 -11.854 15.337 2.032 1.00 4.21 C ATOM 205 C SER A 17 -12.407 13.967 2.412 1.00 50.43 C ATOM 206 O SER A 17 -13.491 13.579 1.975 1.00 72.10 O ATOM 207 CB SER A 17 -10.632 15.139 1.118 1.00 11.13 C ATOM 208 OG SER A 17 -9.850 16.336 1.015 1.00 65.33 O ATOM 0 H SER A 17 -10.846 15.512 3.838 1.00 3.23 H new ATOM 0 HA SER A 17 -12.639 15.902 1.529 1.00 4.21 H new ATOM 0 HB2 SER A 17 -10.012 14.331 1.508 1.00 11.13 H new ATOM 0 HB3 SER A 17 -10.965 14.835 0.126 1.00 11.13 H new ATOM 0 HG SER A 17 -8.962 16.181 1.401 1.00 65.33 H new ATOM 214 N GLY A 18 -11.689 13.268 3.274 1.00 71.01 N ATOM 215 CA GLY A 18 -12.035 11.910 3.585 1.00 62.55 C ATOM 216 C GLY A 18 -11.655 10.996 2.450 1.00 75.34 C ATOM 217 O GLY A 18 -12.479 10.214 1.962 1.00 33.50 O ATOM 0 H GLY A 18 -10.868 13.624 3.764 1.00 71.01 H new ATOM 0 HA2 GLY A 18 -11.526 11.598 4.497 1.00 62.55 H new ATOM 0 HA3 GLY A 18 -13.105 11.836 3.777 1.00 62.55 H new ATOM 221 N ARG A 19 -10.420 11.112 2.021 1.00 14.42 N ATOM 222 CA ARG A 19 -9.901 10.339 0.921 1.00 73.23 C ATOM 223 C ARG A 19 -9.431 9.004 1.400 1.00 44.34 C ATOM 224 O ARG A 19 -8.841 8.896 2.472 1.00 61.55 O ATOM 225 CB ARG A 19 -8.718 11.025 0.270 1.00 74.21 C ATOM 226 CG ARG A 19 -9.026 12.179 -0.658 1.00 62.14 C ATOM 227 CD ARG A 19 -7.723 12.801 -1.129 1.00 35.43 C ATOM 228 NE ARG A 19 -7.888 13.709 -2.272 1.00 23.25 N ATOM 229 CZ ARG A 19 -7.534 15.007 -2.323 1.00 22.54 C ATOM 230 NH1 ARG A 19 -7.151 15.666 -1.229 1.00 14.54 N ATOM 231 NH2 ARG A 19 -7.578 15.647 -3.490 1.00 12.42 N ATOM 0 H ARG A 19 -9.741 11.753 2.432 1.00 14.42 H new ATOM 0 HA ARG A 19 -10.712 10.233 0.200 1.00 73.23 H new ATOM 0 HB2 ARG A 19 -8.060 11.390 1.059 1.00 74.21 H new ATOM 0 HB3 ARG A 19 -8.158 10.277 -0.292 1.00 74.21 H new ATOM 0 HG2 ARG A 19 -9.606 11.830 -1.512 1.00 62.14 H new ATOM 0 HG3 ARG A 19 -9.633 12.923 -0.143 1.00 62.14 H new ATOM 0 HD2 ARG A 19 -7.271 13.349 -0.302 1.00 35.43 H new ATOM 0 HD3 ARG A 19 -7.028 12.007 -1.403 1.00 35.43 H new ATOM 0 HE ARG A 19 -8.314 13.316 -3.112 1.00 23.25 H new ATOM 0 HH11 ARG A 19 -7.122 15.187 -0.329 1.00 14.54 H new ATOM 0 HH12 ARG A 19 -6.887 16.649 -1.292 1.00 14.54 H new ATOM 0 HH21 ARG A 19 -7.877 15.154 -4.331 1.00 12.42 H new ATOM 0 HH22 ARG A 19 -7.312 16.630 -3.543 1.00 12.42 H new ATOM 245 N THR A 20 -9.643 8.015 0.596 1.00 54.15 N ATOM 246 CA THR A 20 -9.228 6.669 0.889 1.00 4.24 C ATOM 247 C THR A 20 -8.850 5.972 -0.402 1.00 71.30 C ATOM 248 O THR A 20 -9.579 6.054 -1.397 1.00 2.42 O ATOM 249 CB THR A 20 -10.319 5.865 1.648 1.00 13.53 C ATOM 250 OG1 THR A 20 -11.607 6.036 1.023 1.00 35.55 O ATOM 251 CG2 THR A 20 -10.399 6.275 3.111 1.00 62.23 C ATOM 0 H THR A 20 -10.118 8.114 -0.301 1.00 54.15 H new ATOM 0 HA THR A 20 -8.363 6.718 1.551 1.00 4.24 H new ATOM 0 HB THR A 20 -10.036 4.813 1.602 1.00 13.53 H new ATOM 0 HG1 THR A 20 -12.280 5.521 1.515 1.00 35.55 H new ATOM 0 HG21 THR A 20 -11.173 5.692 3.610 1.00 62.23 H new ATOM 0 HG22 THR A 20 -9.439 6.092 3.593 1.00 62.23 H new ATOM 0 HG23 THR A 20 -10.643 7.335 3.179 1.00 62.23 H new ATOM 259 N TYR A 21 -7.722 5.324 -0.402 1.00 41.52 N ATOM 260 CA TYR A 21 -7.215 4.662 -1.583 1.00 42.32 C ATOM 261 C TYR A 21 -6.496 3.395 -1.198 1.00 14.41 C ATOM 262 O TYR A 21 -5.637 3.413 -0.317 1.00 63.34 O ATOM 263 CB TYR A 21 -6.280 5.629 -2.346 1.00 42.43 C ATOM 264 CG TYR A 21 -5.478 5.030 -3.492 1.00 41.11 C ATOM 265 CD1 TYR A 21 -6.064 4.735 -4.714 1.00 5.32 C ATOM 266 CD2 TYR A 21 -4.119 4.782 -3.342 1.00 34.30 C ATOM 267 CE1 TYR A 21 -5.315 4.204 -5.753 1.00 62.33 C ATOM 268 CE2 TYR A 21 -3.369 4.263 -4.369 1.00 43.15 C ATOM 269 CZ TYR A 21 -3.965 3.975 -5.572 1.00 52.15 C ATOM 270 OH TYR A 21 -3.202 3.455 -6.601 1.00 72.25 O ATOM 0 H TYR A 21 -7.120 5.236 0.417 1.00 41.52 H new ATOM 0 HA TYR A 21 -8.042 4.388 -2.238 1.00 42.32 H new ATOM 0 HB2 TYR A 21 -6.883 6.447 -2.741 1.00 42.43 H new ATOM 0 HB3 TYR A 21 -5.582 6.065 -1.631 1.00 42.43 H new ATOM 0 HD1 TYR A 21 -7.118 4.921 -4.858 1.00 5.32 H new ATOM 0 HD2 TYR A 21 -3.642 5.002 -2.398 1.00 34.30 H new ATOM 0 HE1 TYR A 21 -5.784 3.971 -6.698 1.00 62.33 H new ATOM 0 HE2 TYR A 21 -2.313 4.082 -4.231 1.00 43.15 H new ATOM 0 HH TYR A 21 -2.343 3.144 -6.246 1.00 72.25 H new ATOM 280 N GLN A 22 -6.869 2.301 -1.815 1.00 13.25 N ATOM 281 CA GLN A 22 -6.212 1.048 -1.572 1.00 13.14 C ATOM 282 C GLN A 22 -5.066 0.911 -2.552 1.00 42.15 C ATOM 283 O GLN A 22 -5.255 1.071 -3.764 1.00 12.34 O ATOM 284 CB GLN A 22 -7.176 -0.133 -1.696 1.00 31.21 C ATOM 285 CG GLN A 22 -6.518 -1.480 -1.415 1.00 4.11 C ATOM 286 CD GLN A 22 -7.458 -2.654 -1.568 1.00 45.04 C ATOM 287 OE1 GLN A 22 -8.654 -2.545 -1.349 1.00 62.04 O ATOM 288 NE2 GLN A 22 -6.922 -3.789 -1.934 1.00 50.11 N ATOM 0 H GLN A 22 -7.630 2.257 -2.493 1.00 13.25 H new ATOM 0 HA GLN A 22 -5.835 1.036 -0.549 1.00 13.14 H new ATOM 0 HB2 GLN A 22 -8.006 0.010 -1.004 1.00 31.21 H new ATOM 0 HB3 GLN A 22 -7.598 -0.145 -2.701 1.00 31.21 H new ATOM 0 HG2 GLN A 22 -5.673 -1.611 -2.091 1.00 4.11 H new ATOM 0 HG3 GLN A 22 -6.117 -1.475 -0.401 1.00 4.11 H new ATOM 0 HE21 GLN A 22 -5.919 -3.846 -2.109 1.00 50.11 H new ATOM 0 HE22 GLN A 22 -7.507 -4.617 -2.044 1.00 50.11 H new ATOM 297 N LEU A 23 -3.900 0.640 -2.023 1.00 52.40 N ATOM 298 CA LEU A 23 -2.675 0.525 -2.797 1.00 30.11 C ATOM 299 C LEU A 23 -2.739 -0.542 -3.885 1.00 3.20 C ATOM 300 O LEU A 23 -3.363 -1.602 -3.723 1.00 41.21 O ATOM 301 CB LEU A 23 -1.488 0.253 -1.877 1.00 35.34 C ATOM 302 CG LEU A 23 -1.115 1.365 -0.898 1.00 53.15 C ATOM 303 CD1 LEU A 23 0.062 0.933 -0.057 1.00 63.45 C ATOM 304 CD2 LEU A 23 -0.786 2.656 -1.638 1.00 23.14 C ATOM 0 H LEU A 23 -3.765 0.489 -1.023 1.00 52.40 H new ATOM 0 HA LEU A 23 -2.547 1.482 -3.303 1.00 30.11 H new ATOM 0 HB2 LEU A 23 -1.701 -0.649 -1.303 1.00 35.34 H new ATOM 0 HB3 LEU A 23 -0.618 0.039 -2.497 1.00 35.34 H new ATOM 0 HG LEU A 23 -1.970 1.555 -0.250 1.00 53.15 H new ATOM 0 HD11 LEU A 23 0.324 1.730 0.639 1.00 63.45 H new ATOM 0 HD12 LEU A 23 -0.200 0.035 0.502 1.00 63.45 H new ATOM 0 HD13 LEU A 23 0.914 0.722 -0.704 1.00 63.45 H new ATOM 0 HD21 LEU A 23 -0.524 3.431 -0.918 1.00 23.14 H new ATOM 0 HD22 LEU A 23 0.055 2.486 -2.310 1.00 23.14 H new ATOM 0 HD23 LEU A 23 -1.653 2.975 -2.216 1.00 23.14 H new ATOM 316 N ARG A 24 -2.109 -0.231 -4.990 1.00 44.11 N ATOM 317 CA ARG A 24 -1.978 -1.133 -6.110 1.00 45.10 C ATOM 318 C ARG A 24 -0.608 -1.751 -6.052 1.00 40.33 C ATOM 319 O ARG A 24 0.316 -1.121 -5.539 1.00 1.24 O ATOM 320 CB ARG A 24 -2.138 -0.371 -7.430 1.00 33.41 C ATOM 321 CG ARG A 24 -3.543 0.162 -7.726 1.00 72.43 C ATOM 322 CD ARG A 24 -4.513 -0.955 -8.112 1.00 21.13 C ATOM 323 NE ARG A 24 -4.742 -1.915 -7.035 1.00 52.25 N ATOM 324 CZ ARG A 24 -4.824 -3.242 -7.170 1.00 54.12 C ATOM 325 NH1 ARG A 24 -4.705 -3.819 -8.370 1.00 10.31 N ATOM 326 NH2 ARG A 24 -5.047 -3.984 -6.094 1.00 60.51 N ATOM 0 H ARG A 24 -1.663 0.674 -5.141 1.00 44.11 H new ATOM 0 HA ARG A 24 -2.750 -1.900 -6.059 1.00 45.10 H new ATOM 0 HB2 ARG A 24 -1.444 0.469 -7.429 1.00 33.41 H new ATOM 0 HB3 ARG A 24 -1.840 -1.029 -8.246 1.00 33.41 H new ATOM 0 HG2 ARG A 24 -3.924 0.685 -6.849 1.00 72.43 H new ATOM 0 HG3 ARG A 24 -3.491 0.891 -8.534 1.00 72.43 H new ATOM 0 HD2 ARG A 24 -5.466 -0.515 -8.406 1.00 21.13 H new ATOM 0 HD3 ARG A 24 -4.123 -1.482 -8.983 1.00 21.13 H new ATOM 0 HE ARG A 24 -4.849 -1.538 -6.093 1.00 52.25 H new ATOM 0 HH11 ARG A 24 -4.549 -3.245 -9.199 1.00 10.31 H new ATOM 0 HH12 ARG A 24 -4.770 -4.833 -8.457 1.00 10.31 H new ATOM 0 HH21 ARG A 24 -5.153 -3.540 -5.182 1.00 60.51 H new ATOM 0 HH22 ARG A 24 -5.113 -4.998 -6.179 1.00 60.51 H new ATOM 340 N GLU A 25 -0.461 -2.951 -6.568 1.00 72.42 N ATOM 341 CA GLU A 25 0.828 -3.625 -6.534 1.00 31.24 C ATOM 342 C GLU A 25 1.818 -2.972 -7.479 1.00 35.11 C ATOM 343 O GLU A 25 1.515 -2.697 -8.659 1.00 64.04 O ATOM 344 CB GLU A 25 0.747 -5.166 -6.704 1.00 12.14 C ATOM 345 CG GLU A 25 0.009 -5.686 -7.933 1.00 53.14 C ATOM 346 CD GLU A 25 -1.461 -5.392 -7.901 1.00 0.22 C ATOM 347 OE1 GLU A 25 -2.177 -5.965 -7.054 1.00 24.34 O ATOM 348 OE2 GLU A 25 -1.924 -4.573 -8.707 1.00 63.03 O ATOM 0 H GLU A 25 -1.209 -3.481 -7.014 1.00 72.42 H new ATOM 0 HA GLU A 25 1.210 -3.493 -5.522 1.00 31.24 H new ATOM 0 HB2 GLU A 25 1.764 -5.559 -6.727 1.00 12.14 H new ATOM 0 HB3 GLU A 25 0.265 -5.580 -5.818 1.00 12.14 H new ATOM 0 HG2 GLU A 25 0.444 -5.240 -8.827 1.00 53.14 H new ATOM 0 HG3 GLU A 25 0.157 -6.763 -8.010 1.00 53.14 H new ATOM 355 N GLY A 26 2.961 -2.701 -6.944 1.00 51.34 N ATOM 356 CA GLY A 26 3.969 -1.945 -7.607 1.00 34.44 C ATOM 357 C GLY A 26 4.154 -0.689 -6.819 1.00 41.25 C ATOM 358 O GLY A 26 3.534 -0.534 -5.754 1.00 62.32 O ATOM 0 H GLY A 26 3.227 -3.008 -6.008 1.00 51.34 H new ATOM 0 HA2 GLY A 26 4.901 -2.508 -7.662 1.00 34.44 H new ATOM 0 HA3 GLY A 26 3.672 -1.719 -8.631 1.00 34.44 H new ATOM 362 N SER A 27 4.966 0.193 -7.253 1.00 74.13 N ATOM 363 CA SER A 27 5.115 1.390 -6.516 1.00 20.23 C ATOM 364 C SER A 27 4.128 2.443 -6.972 1.00 4.23 C ATOM 365 O SER A 27 3.898 2.649 -8.176 1.00 74.44 O ATOM 366 CB SER A 27 6.555 1.867 -6.504 1.00 52.21 C ATOM 367 OG SER A 27 7.061 2.001 -7.820 1.00 23.14 O ATOM 0 H SER A 27 5.531 0.116 -8.099 1.00 74.13 H new ATOM 0 HA SER A 27 4.870 1.181 -5.475 1.00 20.23 H new ATOM 0 HB2 SER A 27 6.619 2.825 -5.988 1.00 52.21 H new ATOM 0 HB3 SER A 27 7.170 1.162 -5.945 1.00 52.21 H new ATOM 0 HG SER A 27 7.990 2.311 -7.783 1.00 23.14 H new ATOM 373 N ASN A 28 3.497 3.057 -6.017 1.00 32.20 N ATOM 374 CA ASN A 28 2.533 4.075 -6.281 1.00 14.01 C ATOM 375 C ASN A 28 3.247 5.371 -6.019 1.00 32.13 C ATOM 376 O ASN A 28 3.620 5.660 -4.881 1.00 25.12 O ATOM 377 CB ASN A 28 1.250 3.939 -5.379 1.00 45.22 C ATOM 378 CG ASN A 28 0.473 2.585 -5.495 1.00 13.21 C ATOM 379 OD1 ASN A 28 -0.764 2.548 -5.423 1.00 72.42 O ATOM 380 ND2 ASN A 28 1.175 1.484 -5.602 1.00 74.20 N ATOM 0 H ASN A 28 3.640 2.862 -5.026 1.00 32.20 H new ATOM 0 HA ASN A 28 2.164 4.006 -7.304 1.00 14.01 H new ATOM 0 HB2 ASN A 28 1.544 4.079 -4.339 1.00 45.22 H new ATOM 0 HB3 ASN A 28 0.566 4.750 -5.629 1.00 45.22 H new ATOM 0 HD21 ASN A 28 0.704 0.579 -5.627 1.00 74.20 H new ATOM 0 HD22 ASN A 28 2.192 1.531 -5.660 1.00 74.20 H new ATOM 387 N ILE A 29 3.513 6.098 -7.067 1.00 70.33 N ATOM 388 CA ILE A 29 4.299 7.311 -6.973 1.00 42.32 C ATOM 389 C ILE A 29 3.426 8.504 -6.626 1.00 54.43 C ATOM 390 O ILE A 29 2.451 8.803 -7.327 1.00 33.14 O ATOM 391 CB ILE A 29 5.061 7.583 -8.301 1.00 53.13 C ATOM 392 CG1 ILE A 29 5.975 6.391 -8.643 1.00 72.31 C ATOM 393 CG2 ILE A 29 5.875 8.873 -8.205 1.00 75.25 C ATOM 394 CD1 ILE A 29 6.721 6.532 -9.957 1.00 12.44 C ATOM 0 H ILE A 29 3.196 5.874 -8.010 1.00 70.33 H new ATOM 0 HA ILE A 29 5.026 7.168 -6.173 1.00 42.32 H new ATOM 0 HB ILE A 29 4.330 7.703 -9.100 1.00 53.13 H new ATOM 0 HG12 ILE A 29 6.700 6.262 -7.839 1.00 72.31 H new ATOM 0 HG13 ILE A 29 5.372 5.484 -8.677 1.00 72.31 H new ATOM 0 HG21 ILE A 29 6.400 9.043 -9.145 1.00 75.25 H new ATOM 0 HG22 ILE A 29 5.207 9.711 -8.006 1.00 75.25 H new ATOM 0 HG23 ILE A 29 6.600 8.786 -7.396 1.00 75.25 H new ATOM 0 HD11 ILE A 29 7.341 5.650 -10.120 1.00 12.44 H new ATOM 0 HD12 ILE A 29 6.005 6.629 -10.773 1.00 12.44 H new ATOM 0 HD13 ILE A 29 7.354 7.419 -9.923 1.00 12.44 H new ATOM 406 N ILE A 30 3.772 9.167 -5.567 1.00 61.34 N ATOM 407 CA ILE A 30 3.078 10.334 -5.127 1.00 52.44 C ATOM 408 C ILE A 30 3.952 11.555 -5.395 1.00 3.31 C ATOM 409 O ILE A 30 5.154 11.565 -5.067 1.00 24.33 O ATOM 410 CB ILE A 30 2.715 10.248 -3.613 1.00 64.12 C ATOM 411 CG1 ILE A 30 1.816 9.021 -3.342 1.00 64.12 C ATOM 412 CG2 ILE A 30 2.056 11.533 -3.144 1.00 20.41 C ATOM 413 CD1 ILE A 30 1.436 8.825 -1.887 1.00 72.42 C ATOM 0 H ILE A 30 4.560 8.906 -4.974 1.00 61.34 H new ATOM 0 HA ILE A 30 2.142 10.416 -5.679 1.00 52.44 H new ATOM 0 HB ILE A 30 3.635 10.122 -3.041 1.00 64.12 H new ATOM 0 HG12 ILE A 30 0.905 9.118 -3.932 1.00 64.12 H new ATOM 0 HG13 ILE A 30 2.330 8.126 -3.693 1.00 64.12 H new ATOM 0 HG21 ILE A 30 1.811 11.451 -2.085 1.00 20.41 H new ATOM 0 HG22 ILE A 30 2.740 12.369 -3.295 1.00 20.41 H new ATOM 0 HG23 ILE A 30 1.143 11.703 -3.715 1.00 20.41 H new ATOM 0 HD11 ILE A 30 0.805 7.941 -1.792 1.00 72.42 H new ATOM 0 HD12 ILE A 30 2.338 8.693 -1.290 1.00 72.42 H new ATOM 0 HD13 ILE A 30 0.891 9.700 -1.532 1.00 72.42 H new ATOM 425 N GLY A 31 3.378 12.539 -6.024 1.00 74.44 N ATOM 426 CA GLY A 31 4.080 13.742 -6.320 1.00 32.23 C ATOM 427 C GLY A 31 3.392 14.507 -7.396 1.00 3.22 C ATOM 428 O GLY A 31 2.337 14.098 -7.877 1.00 42.45 O ATOM 0 H GLY A 31 2.410 12.525 -6.344 1.00 74.44 H new ATOM 0 HA2 GLY A 31 4.153 14.355 -5.422 1.00 32.23 H new ATOM 0 HA3 GLY A 31 5.098 13.507 -6.629 1.00 32.23 H new ATOM 432 N ARG A 32 3.949 15.612 -7.765 1.00 1.21 N ATOM 433 CA ARG A 32 3.369 16.424 -8.787 1.00 14.23 C ATOM 434 C ARG A 32 4.206 16.305 -10.032 1.00 12.22 C ATOM 435 O ARG A 32 5.304 16.845 -10.108 1.00 5.42 O ATOM 436 CB ARG A 32 3.302 17.878 -8.324 1.00 4.20 C ATOM 437 CG ARG A 32 2.505 18.061 -7.051 1.00 15.43 C ATOM 438 CD ARG A 32 2.502 19.508 -6.580 1.00 73.51 C ATOM 439 NE ARG A 32 1.954 20.444 -7.575 1.00 62.31 N ATOM 440 CZ ARG A 32 0.828 21.164 -7.422 1.00 33.21 C ATOM 441 NH1 ARG A 32 0.019 20.935 -6.395 1.00 1.04 N ATOM 442 NH2 ARG A 32 0.510 22.090 -8.314 1.00 31.32 N ATOM 0 H ARG A 32 4.815 15.978 -7.370 1.00 1.21 H new ATOM 0 HA ARG A 32 2.354 16.088 -8.998 1.00 14.23 H new ATOM 0 HB2 ARG A 32 4.315 18.250 -8.168 1.00 4.20 H new ATOM 0 HB3 ARG A 32 2.858 18.484 -9.114 1.00 4.20 H new ATOM 0 HG2 ARG A 32 1.479 17.732 -7.216 1.00 15.43 H new ATOM 0 HG3 ARG A 32 2.922 17.427 -6.269 1.00 15.43 H new ATOM 0 HD2 ARG A 32 1.919 19.583 -5.662 1.00 73.51 H new ATOM 0 HD3 ARG A 32 3.522 19.805 -6.335 1.00 73.51 H new ATOM 0 HE ARG A 32 2.468 20.555 -8.449 1.00 62.31 H new ATOM 0 HH11 ARG A 32 0.250 20.210 -5.716 1.00 1.04 H new ATOM 0 HH12 ARG A 32 -0.833 21.484 -6.285 1.00 1.04 H new ATOM 0 HH21 ARG A 32 1.119 22.256 -9.116 1.00 31.32 H new ATOM 0 HH22 ARG A 32 -0.343 22.637 -8.199 1.00 31.32 H new ATOM 456 N GLY A 33 3.695 15.602 -10.986 1.00 42.11 N ATOM 457 CA GLY A 33 4.383 15.407 -12.213 1.00 53.24 C ATOM 458 C GLY A 33 3.572 14.535 -13.106 1.00 53.40 C ATOM 459 O GLY A 33 2.450 14.120 -12.728 1.00 51.24 O ATOM 0 H GLY A 33 2.784 15.145 -10.934 1.00 42.11 H new ATOM 0 HA2 GLY A 33 4.567 16.367 -12.695 1.00 53.24 H new ATOM 0 HA3 GLY A 33 5.356 14.951 -12.028 1.00 53.24 H new ATOM 463 N GLN A 34 4.091 14.233 -14.261 1.00 61.13 N ATOM 464 CA GLN A 34 3.370 13.419 -15.212 1.00 41.32 C ATOM 465 C GLN A 34 3.740 11.956 -15.058 1.00 3.14 C ATOM 466 O GLN A 34 2.991 11.068 -15.459 1.00 53.42 O ATOM 467 CB GLN A 34 3.622 13.901 -16.641 1.00 33.40 C ATOM 468 CG GLN A 34 3.302 15.383 -16.879 1.00 20.32 C ATOM 469 CD GLN A 34 1.847 15.779 -16.614 1.00 35.24 C ATOM 470 OE1 GLN A 34 1.151 15.212 -15.758 1.00 10.33 O ATOM 471 NE2 GLN A 34 1.379 16.745 -17.336 1.00 41.00 N ATOM 0 H GLN A 34 5.013 14.537 -14.573 1.00 61.13 H new ATOM 0 HA GLN A 34 2.304 13.520 -15.007 1.00 41.32 H new ATOM 0 HB2 GLN A 34 4.668 13.723 -16.892 1.00 33.40 H new ATOM 0 HB3 GLN A 34 3.024 13.299 -17.325 1.00 33.40 H new ATOM 0 HG2 GLN A 34 3.949 15.986 -16.242 1.00 20.32 H new ATOM 0 HG3 GLN A 34 3.549 15.632 -17.911 1.00 20.32 H new ATOM 0 HE21 GLN A 34 1.973 17.194 -18.033 1.00 41.00 H new ATOM 0 HE22 GLN A 34 0.416 17.057 -17.208 1.00 41.00 H new ATOM 480 N ASP A 35 4.888 11.716 -14.460 1.00 11.13 N ATOM 481 CA ASP A 35 5.390 10.363 -14.210 1.00 1.22 C ATOM 482 C ASP A 35 4.964 9.896 -12.827 1.00 73.04 C ATOM 483 O ASP A 35 5.229 8.763 -12.417 1.00 0.44 O ATOM 484 CB ASP A 35 6.919 10.316 -14.347 1.00 41.23 C ATOM 485 CG ASP A 35 7.640 11.200 -13.351 1.00 25.10 C ATOM 486 OD1 ASP A 35 7.264 12.380 -13.207 1.00 2.31 O ATOM 487 OD2 ASP A 35 8.632 10.752 -12.761 1.00 34.14 O ATOM 0 H ASP A 35 5.510 12.453 -14.128 1.00 11.13 H new ATOM 0 HA ASP A 35 4.963 9.691 -14.955 1.00 1.22 H new ATOM 0 HB2 ASP A 35 7.256 9.287 -14.219 1.00 41.23 H new ATOM 0 HB3 ASP A 35 7.195 10.619 -15.357 1.00 41.23 H new ATOM 492 N ALA A 36 4.317 10.787 -12.115 1.00 2.55 N ATOM 493 CA ALA A 36 3.738 10.487 -10.829 1.00 0.34 C ATOM 494 C ALA A 36 2.386 9.822 -11.040 1.00 1.23 C ATOM 495 O ALA A 36 1.847 9.832 -12.146 1.00 42.23 O ATOM 496 CB ALA A 36 3.572 11.760 -10.019 1.00 33.03 C ATOM 0 H ALA A 36 4.177 11.751 -12.416 1.00 2.55 H new ATOM 0 HA ALA A 36 4.397 9.814 -10.280 1.00 0.34 H new ATOM 0 HB1 ALA A 36 3.134 11.520 -9.050 1.00 33.03 H new ATOM 0 HB2 ALA A 36 4.546 12.227 -9.871 1.00 33.03 H new ATOM 0 HB3 ALA A 36 2.917 12.448 -10.553 1.00 33.03 H new ATOM 502 N GLN A 37 1.852 9.233 -10.009 1.00 54.30 N ATOM 503 CA GLN A 37 0.579 8.586 -10.089 1.00 5.41 C ATOM 504 C GLN A 37 -0.455 9.380 -9.321 1.00 64.24 C ATOM 505 O GLN A 37 -1.519 9.735 -9.842 1.00 25.21 O ATOM 506 CB GLN A 37 0.678 7.171 -9.525 1.00 52.33 C ATOM 507 CG GLN A 37 1.593 6.249 -10.314 1.00 43.03 C ATOM 508 CD GLN A 37 1.159 6.116 -11.757 1.00 52.02 C ATOM 509 OE1 GLN A 37 -0.028 6.221 -12.076 1.00 23.21 O ATOM 510 NE2 GLN A 37 2.092 5.891 -12.632 1.00 3.42 N ATOM 0 H GLN A 37 2.290 9.189 -9.089 1.00 54.30 H new ATOM 0 HA GLN A 37 0.275 8.530 -11.134 1.00 5.41 H new ATOM 0 HB2 GLN A 37 1.035 7.226 -8.497 1.00 52.33 H new ATOM 0 HB3 GLN A 37 -0.320 6.734 -9.493 1.00 52.33 H new ATOM 0 HG2 GLN A 37 2.613 6.632 -10.276 1.00 43.03 H new ATOM 0 HG3 GLN A 37 1.605 5.264 -9.847 1.00 43.03 H new ATOM 0 HE21 GLN A 37 3.064 5.810 -12.332 1.00 3.42 H new ATOM 0 HE22 GLN A 37 1.853 5.795 -13.619 1.00 3.42 H new ATOM 519 N PHE A 38 -0.135 9.670 -8.105 1.00 62.11 N ATOM 520 CA PHE A 38 -1.010 10.391 -7.232 1.00 23.34 C ATOM 521 C PHE A 38 -0.441 11.779 -7.026 1.00 74.31 C ATOM 522 O PHE A 38 0.668 11.932 -6.521 1.00 71.22 O ATOM 523 CB PHE A 38 -1.151 9.615 -5.916 1.00 31.43 C ATOM 524 CG PHE A 38 -1.995 10.266 -4.858 1.00 63.10 C ATOM 525 CD1 PHE A 38 -3.375 10.272 -4.947 1.00 63.35 C ATOM 526 CD2 PHE A 38 -1.400 10.846 -3.762 1.00 61.41 C ATOM 527 CE1 PHE A 38 -4.137 10.854 -3.951 1.00 4.21 C ATOM 528 CE2 PHE A 38 -2.142 11.428 -2.772 1.00 2.15 C ATOM 529 CZ PHE A 38 -3.519 11.436 -2.861 1.00 22.11 C ATOM 0 H PHE A 38 0.755 9.410 -7.679 1.00 62.11 H new ATOM 0 HA PHE A 38 -2.007 10.495 -7.659 1.00 23.34 H new ATOM 0 HB2 PHE A 38 -1.573 8.635 -6.138 1.00 31.43 H new ATOM 0 HB3 PHE A 38 -0.155 9.448 -5.507 1.00 31.43 H new ATOM 0 HD1 PHE A 38 -3.860 9.820 -5.799 1.00 63.35 H new ATOM 0 HD2 PHE A 38 -0.323 10.842 -3.682 1.00 61.41 H new ATOM 0 HE1 PHE A 38 -5.214 10.854 -4.025 1.00 4.21 H new ATOM 0 HE2 PHE A 38 -1.652 11.880 -1.923 1.00 2.15 H new ATOM 0 HZ PHE A 38 -4.111 11.895 -2.083 1.00 22.11 H new ATOM 539 N ARG A 39 -1.170 12.769 -7.459 1.00 24.54 N ATOM 540 CA ARG A 39 -0.705 14.136 -7.400 1.00 4.31 C ATOM 541 C ARG A 39 -1.207 14.827 -6.145 1.00 42.15 C ATOM 542 O ARG A 39 -2.411 14.811 -5.851 1.00 62.40 O ATOM 543 CB ARG A 39 -1.109 14.943 -8.656 1.00 30.21 C ATOM 544 CG ARG A 39 -0.373 14.592 -9.972 1.00 23.22 C ATOM 545 CD ARG A 39 -0.713 13.206 -10.528 1.00 24.44 C ATOM 546 NE ARG A 39 -0.033 12.962 -11.817 1.00 44.40 N ATOM 547 CZ ARG A 39 -0.339 11.994 -12.705 1.00 12.33 C ATOM 548 NH1 ARG A 39 -1.242 11.055 -12.415 1.00 42.11 N ATOM 549 NH2 ARG A 39 0.296 11.956 -13.875 1.00 31.31 N ATOM 0 H ARG A 39 -2.100 12.657 -7.862 1.00 24.54 H new ATOM 0 HA ARG A 39 0.384 14.099 -7.369 1.00 4.31 H new ATOM 0 HB2 ARG A 39 -2.179 14.809 -8.818 1.00 30.21 H new ATOM 0 HB3 ARG A 39 -0.948 16.001 -8.448 1.00 30.21 H new ATOM 0 HG2 ARG A 39 -0.617 15.343 -10.723 1.00 23.22 H new ATOM 0 HG3 ARG A 39 0.702 14.649 -9.801 1.00 23.22 H new ATOM 0 HD2 ARG A 39 -0.419 12.441 -9.809 1.00 24.44 H new ATOM 0 HD3 ARG A 39 -1.791 13.120 -10.661 1.00 24.44 H new ATOM 0 HE ARG A 39 0.739 13.583 -12.058 1.00 44.40 H new ATOM 0 HH11 ARG A 39 -1.713 11.062 -11.510 1.00 42.11 H new ATOM 0 HH12 ARG A 39 -1.461 10.330 -13.098 1.00 42.11 H new ATOM 0 HH21 ARG A 39 1.006 12.655 -14.093 1.00 31.31 H new ATOM 0 HH22 ARG A 39 0.072 11.228 -14.553 1.00 31.31 H new ATOM 563 N LEU A 40 -0.293 15.420 -5.405 1.00 63.24 N ATOM 564 CA LEU A 40 -0.628 16.127 -4.183 1.00 11.53 C ATOM 565 C LEU A 40 -1.169 17.523 -4.485 1.00 54.13 C ATOM 566 O LEU A 40 -0.627 18.228 -5.349 1.00 71.42 O ATOM 567 CB LEU A 40 0.575 16.208 -3.235 1.00 22.51 C ATOM 568 CG LEU A 40 1.029 14.894 -2.595 1.00 31.33 C ATOM 569 CD1 LEU A 40 2.217 15.130 -1.683 1.00 55.12 C ATOM 570 CD2 LEU A 40 -0.109 14.256 -1.813 1.00 53.11 C ATOM 0 H LEU A 40 0.701 15.426 -5.632 1.00 63.24 H new ATOM 0 HA LEU A 40 -1.412 15.558 -3.683 1.00 11.53 H new ATOM 0 HB2 LEU A 40 1.416 16.628 -3.786 1.00 22.51 H new ATOM 0 HB3 LEU A 40 0.334 16.911 -2.437 1.00 22.51 H new ATOM 0 HG LEU A 40 1.328 14.214 -3.393 1.00 31.33 H new ATOM 0 HD11 LEU A 40 2.526 14.185 -1.237 1.00 55.12 H new ATOM 0 HD12 LEU A 40 3.042 15.546 -2.261 1.00 55.12 H new ATOM 0 HD13 LEU A 40 1.937 15.829 -0.895 1.00 55.12 H new ATOM 0 HD21 LEU A 40 0.235 13.323 -1.366 1.00 53.11 H new ATOM 0 HD22 LEU A 40 -0.436 14.936 -1.027 1.00 53.11 H new ATOM 0 HD23 LEU A 40 -0.942 14.051 -2.485 1.00 53.11 H new ATOM 582 N PRO A 41 -2.255 17.930 -3.798 1.00 2.31 N ATOM 583 CA PRO A 41 -2.901 19.237 -4.003 1.00 12.54 C ATOM 584 C PRO A 41 -2.001 20.448 -3.690 1.00 33.02 C ATOM 585 O PRO A 41 -2.154 21.513 -4.310 1.00 35.24 O ATOM 586 CB PRO A 41 -4.095 19.214 -3.036 1.00 71.25 C ATOM 587 CG PRO A 41 -4.327 17.776 -2.747 1.00 63.44 C ATOM 588 CD PRO A 41 -2.979 17.133 -2.783 1.00 5.22 C ATOM 0 HA PRO A 41 -3.167 19.363 -5.053 1.00 12.54 H new ATOM 0 HB2 PRO A 41 -3.875 19.769 -2.124 1.00 71.25 H new ATOM 0 HB3 PRO A 41 -4.976 19.674 -3.485 1.00 71.25 H new ATOM 0 HG2 PRO A 41 -4.798 17.644 -1.773 1.00 63.44 H new ATOM 0 HG3 PRO A 41 -4.993 17.331 -3.486 1.00 63.44 H new ATOM 0 HD2 PRO A 41 -2.487 17.174 -1.811 1.00 5.22 H new ATOM 0 HD3 PRO A 41 -3.041 16.082 -3.065 1.00 5.22 H new ATOM 596 N ASP A 42 -1.060 20.301 -2.777 1.00 21.34 N ATOM 597 CA ASP A 42 -0.213 21.431 -2.391 1.00 21.12 C ATOM 598 C ASP A 42 1.058 21.380 -3.198 1.00 3.51 C ATOM 599 O ASP A 42 1.325 20.381 -3.869 1.00 33.13 O ATOM 600 CB ASP A 42 0.116 21.407 -0.901 1.00 62.11 C ATOM 601 CG ASP A 42 0.686 22.717 -0.388 1.00 63.12 C ATOM 602 OD1 ASP A 42 -0.048 23.720 -0.366 1.00 34.01 O ATOM 603 OD2 ASP A 42 1.867 22.767 0.002 1.00 1.40 O ATOM 0 H ASP A 42 -0.859 19.427 -2.291 1.00 21.34 H new ATOM 0 HA ASP A 42 -0.754 22.356 -2.590 1.00 21.12 H new ATOM 0 HB2 ASP A 42 -0.788 21.169 -0.341 1.00 62.11 H new ATOM 0 HB3 ASP A 42 0.831 20.608 -0.707 1.00 62.11 H new ATOM 608 N THR A 43 1.829 22.415 -3.151 1.00 20.14 N ATOM 609 CA THR A 43 3.008 22.481 -3.927 1.00 24.44 C ATOM 610 C THR A 43 4.251 22.317 -3.028 1.00 74.15 C ATOM 611 O THR A 43 4.126 22.066 -1.835 1.00 53.24 O ATOM 612 CB THR A 43 3.026 23.777 -4.765 1.00 71.12 C ATOM 613 OG1 THR A 43 4.106 23.759 -5.705 1.00 34.51 O ATOM 614 CG2 THR A 43 3.130 25.011 -3.891 1.00 41.24 C ATOM 0 H THR A 43 1.654 23.236 -2.571 1.00 20.14 H new ATOM 0 HA THR A 43 3.029 21.654 -4.636 1.00 24.44 H new ATOM 0 HB THR A 43 2.080 23.821 -5.305 1.00 71.12 H new ATOM 0 HG1 THR A 43 4.245 22.844 -6.026 1.00 34.51 H new ATOM 0 HG21 THR A 43 3.140 25.902 -4.519 1.00 41.24 H new ATOM 0 HG22 THR A 43 2.275 25.052 -3.216 1.00 41.24 H new ATOM 0 HG23 THR A 43 4.050 24.968 -3.308 1.00 41.24 H new ATOM 622 N GLY A 44 5.433 22.411 -3.607 1.00 74.12 N ATOM 623 CA GLY A 44 6.657 22.129 -2.864 1.00 71.55 C ATOM 624 C GLY A 44 6.997 20.666 -3.023 1.00 23.21 C ATOM 625 O GLY A 44 8.083 20.190 -2.666 1.00 15.22 O ATOM 0 H GLY A 44 5.577 22.678 -4.581 1.00 74.12 H new ATOM 0 HA2 GLY A 44 7.474 22.749 -3.234 1.00 71.55 H new ATOM 0 HA3 GLY A 44 6.523 22.373 -1.810 1.00 71.55 H new ATOM 629 N VAL A 45 6.058 19.981 -3.596 1.00 41.13 N ATOM 630 CA VAL A 45 6.118 18.597 -3.881 1.00 53.32 C ATOM 631 C VAL A 45 6.798 18.421 -5.237 1.00 20.41 C ATOM 632 O VAL A 45 6.463 19.122 -6.206 1.00 55.14 O ATOM 633 CB VAL A 45 4.665 18.025 -3.910 1.00 25.41 C ATOM 634 CG1 VAL A 45 4.637 16.563 -4.252 1.00 34.24 C ATOM 635 CG2 VAL A 45 3.979 18.259 -2.573 1.00 42.53 C ATOM 0 H VAL A 45 5.180 20.407 -3.892 1.00 41.13 H new ATOM 0 HA VAL A 45 6.687 18.061 -3.121 1.00 53.32 H new ATOM 0 HB VAL A 45 4.126 18.556 -4.694 1.00 25.41 H new ATOM 0 HG11 VAL A 45 3.605 16.211 -4.260 1.00 34.24 H new ATOM 0 HG12 VAL A 45 5.080 16.411 -5.236 1.00 34.24 H new ATOM 0 HG13 VAL A 45 5.205 16.004 -3.508 1.00 34.24 H new ATOM 0 HG21 VAL A 45 2.967 17.855 -2.608 1.00 42.53 H new ATOM 0 HG22 VAL A 45 4.542 17.761 -1.783 1.00 42.53 H new ATOM 0 HG23 VAL A 45 3.936 19.329 -2.368 1.00 42.53 H new ATOM 645 N SER A 46 7.773 17.545 -5.286 1.00 33.25 N ATOM 646 CA SER A 46 8.508 17.257 -6.501 1.00 63.02 C ATOM 647 C SER A 46 7.675 16.314 -7.386 1.00 40.41 C ATOM 648 O SER A 46 6.541 15.977 -7.018 1.00 4.02 O ATOM 649 CB SER A 46 9.819 16.592 -6.105 1.00 23.52 C ATOM 650 OG SER A 46 10.499 17.382 -5.126 1.00 74.30 O ATOM 0 H SER A 46 8.084 17.006 -4.478 1.00 33.25 H new ATOM 0 HA SER A 46 8.709 18.170 -7.062 1.00 63.02 H new ATOM 0 HB2 SER A 46 9.624 15.596 -5.707 1.00 23.52 H new ATOM 0 HB3 SER A 46 10.451 16.466 -6.984 1.00 23.52 H new ATOM 0 HG SER A 46 11.340 16.943 -4.878 1.00 74.30 H new ATOM 656 N ARG A 47 8.217 15.892 -8.538 1.00 23.31 N ATOM 657 CA ARG A 47 7.493 14.943 -9.397 1.00 50.52 C ATOM 658 C ARG A 47 7.333 13.625 -8.668 1.00 10.45 C ATOM 659 O ARG A 47 6.276 13.008 -8.684 1.00 1.22 O ATOM 660 CB ARG A 47 8.158 14.742 -10.779 1.00 71.42 C ATOM 661 CG ARG A 47 9.598 14.257 -10.732 1.00 31.51 C ATOM 662 CD ARG A 47 10.109 13.855 -12.102 1.00 23.20 C ATOM 663 NE ARG A 47 11.523 13.449 -12.060 1.00 74.11 N ATOM 664 CZ ARG A 47 12.037 12.356 -12.666 1.00 14.31 C ATOM 665 NH1 ARG A 47 11.231 11.415 -13.179 1.00 20.42 N ATOM 666 NH2 ARG A 47 13.358 12.185 -12.701 1.00 10.42 N ATOM 0 H ARG A 47 9.129 16.183 -8.890 1.00 23.31 H new ATOM 0 HA ARG A 47 6.511 15.369 -9.604 1.00 50.52 H new ATOM 0 HB2 ARG A 47 7.567 14.025 -11.350 1.00 71.42 H new ATOM 0 HB3 ARG A 47 8.126 15.686 -11.322 1.00 71.42 H new ATOM 0 HG2 ARG A 47 10.232 15.045 -10.326 1.00 31.51 H new ATOM 0 HG3 ARG A 47 9.672 13.407 -10.054 1.00 31.51 H new ATOM 0 HD2 ARG A 47 9.506 13.033 -12.488 1.00 23.20 H new ATOM 0 HD3 ARG A 47 9.991 14.689 -12.793 1.00 23.20 H new ATOM 0 HE ARG A 47 12.166 14.039 -11.532 1.00 74.11 H new ATOM 0 HH11 ARG A 47 10.219 11.520 -13.114 1.00 20.42 H new ATOM 0 HH12 ARG A 47 11.630 10.594 -13.634 1.00 20.42 H new ATOM 0 HH21 ARG A 47 13.973 12.876 -12.272 1.00 10.42 H new ATOM 0 HH22 ARG A 47 13.754 11.363 -13.156 1.00 10.42 H new ATOM 680 N ARG A 48 8.384 13.230 -8.004 1.00 3.31 N ATOM 681 CA ARG A 48 8.378 12.087 -7.168 1.00 54.33 C ATOM 682 C ARG A 48 8.747 12.566 -5.803 1.00 33.13 C ATOM 683 O ARG A 48 9.889 12.948 -5.554 1.00 63.35 O ATOM 684 CB ARG A 48 9.350 11.016 -7.669 1.00 70.23 C ATOM 685 CG ARG A 48 9.025 10.544 -9.070 1.00 33.51 C ATOM 686 CD ARG A 48 9.959 9.462 -9.553 1.00 51.24 C ATOM 687 NE ARG A 48 9.675 9.152 -10.955 1.00 41.33 N ATOM 688 CZ ARG A 48 9.975 8.034 -11.608 1.00 12.12 C ATOM 689 NH1 ARG A 48 10.558 7.022 -10.996 1.00 5.43 N ATOM 690 NH2 ARG A 48 9.664 7.944 -12.890 1.00 72.22 N ATOM 0 H ARG A 48 9.282 13.712 -8.037 1.00 3.31 H new ATOM 0 HA ARG A 48 7.397 11.613 -7.164 1.00 54.33 H new ATOM 0 HB2 ARG A 48 10.365 11.414 -7.650 1.00 70.23 H new ATOM 0 HB3 ARG A 48 9.329 10.165 -6.989 1.00 70.23 H new ATOM 0 HG2 ARG A 48 8.001 10.172 -9.095 1.00 33.51 H new ATOM 0 HG3 ARG A 48 9.073 11.391 -9.754 1.00 33.51 H new ATOM 0 HD2 ARG A 48 10.994 9.787 -9.445 1.00 51.24 H new ATOM 0 HD3 ARG A 48 9.841 8.567 -8.942 1.00 51.24 H new ATOM 0 HE ARG A 48 9.193 9.874 -11.490 1.00 41.33 H new ATOM 0 HH11 ARG A 48 10.787 7.089 -10.004 1.00 5.43 H new ATOM 0 HH12 ARG A 48 10.780 6.172 -11.514 1.00 5.43 H new ATOM 0 HH21 ARG A 48 9.203 8.724 -13.359 1.00 72.22 H new ATOM 0 HH22 ARG A 48 9.885 7.095 -13.410 1.00 72.22 H new ATOM 704 N HIS A 49 7.770 12.646 -4.975 1.00 2.00 N ATOM 705 CA HIS A 49 7.926 13.135 -3.627 1.00 13.13 C ATOM 706 C HIS A 49 8.005 11.963 -2.691 1.00 1.25 C ATOM 707 O HIS A 49 8.658 12.018 -1.669 1.00 4.43 O ATOM 708 CB HIS A 49 6.739 14.062 -3.277 1.00 15.54 C ATOM 709 CG HIS A 49 6.661 14.540 -1.844 1.00 54.11 C ATOM 710 ND1 HIS A 49 6.961 15.833 -1.492 1.00 64.21 N ATOM 711 CD2 HIS A 49 6.270 13.861 -0.736 1.00 74.32 C ATOM 712 CE1 HIS A 49 6.744 15.895 -0.183 1.00 75.03 C ATOM 713 NE2 HIS A 49 6.332 14.727 0.310 1.00 72.23 N ATOM 0 H HIS A 49 6.815 12.371 -5.206 1.00 2.00 H new ATOM 0 HA HIS A 49 8.844 13.715 -3.532 1.00 13.13 H new ATOM 0 HB2 HIS A 49 6.784 14.936 -3.927 1.00 15.54 H new ATOM 0 HB3 HIS A 49 5.814 13.537 -3.513 1.00 15.54 H new ATOM 0 HD2 HIS A 49 5.966 12.826 -0.693 1.00 74.32 H new ATOM 0 HE1 HIS A 49 6.885 16.786 0.411 1.00 75.03 H new ATOM 0 HE2 HIS A 49 6.107 14.523 1.284 1.00 72.23 H new ATOM 721 N LEU A 50 7.333 10.912 -3.046 1.00 34.53 N ATOM 722 CA LEU A 50 7.315 9.731 -2.253 1.00 22.21 C ATOM 723 C LEU A 50 6.793 8.589 -3.082 1.00 1.42 C ATOM 724 O LEU A 50 5.968 8.787 -3.970 1.00 31.31 O ATOM 725 CB LEU A 50 6.475 9.981 -0.971 1.00 74.23 C ATOM 726 CG LEU A 50 6.247 8.810 -0.014 1.00 35.24 C ATOM 727 CD1 LEU A 50 6.054 9.343 1.379 1.00 61.51 C ATOM 728 CD2 LEU A 50 4.999 8.043 -0.410 1.00 1.41 C ATOM 0 H LEU A 50 6.779 10.853 -3.901 1.00 34.53 H new ATOM 0 HA LEU A 50 8.321 9.464 -1.928 1.00 22.21 H new ATOM 0 HB2 LEU A 50 6.957 10.781 -0.409 1.00 74.23 H new ATOM 0 HB3 LEU A 50 5.498 10.352 -1.281 1.00 74.23 H new ATOM 0 HG LEU A 50 7.111 8.147 -0.057 1.00 35.24 H new ATOM 0 HD11 LEU A 50 5.891 8.513 2.067 1.00 61.51 H new ATOM 0 HD12 LEU A 50 6.942 9.897 1.683 1.00 61.51 H new ATOM 0 HD13 LEU A 50 5.189 10.006 1.398 1.00 61.51 H new ATOM 0 HD21 LEU A 50 4.848 7.212 0.279 1.00 1.41 H new ATOM 0 HD22 LEU A 50 4.136 8.708 -0.371 1.00 1.41 H new ATOM 0 HD23 LEU A 50 5.115 7.657 -1.423 1.00 1.41 H new ATOM 740 N GLU A 51 7.302 7.431 -2.839 1.00 64.15 N ATOM 741 CA GLU A 51 6.845 6.246 -3.514 1.00 21.40 C ATOM 742 C GLU A 51 6.521 5.168 -2.506 1.00 12.03 C ATOM 743 O GLU A 51 7.261 4.947 -1.544 1.00 60.44 O ATOM 744 CB GLU A 51 7.865 5.743 -4.553 1.00 45.41 C ATOM 745 CG GLU A 51 9.251 5.475 -3.987 1.00 71.54 C ATOM 746 CD GLU A 51 10.242 5.001 -5.020 1.00 14.33 C ATOM 747 OE1 GLU A 51 10.833 5.836 -5.725 1.00 62.14 O ATOM 748 OE2 GLU A 51 10.480 3.779 -5.122 1.00 21.21 O ATOM 0 H GLU A 51 8.050 7.269 -2.165 1.00 64.15 H new ATOM 0 HA GLU A 51 5.938 6.502 -4.061 1.00 21.40 H new ATOM 0 HB2 GLU A 51 7.485 4.826 -5.004 1.00 45.41 H new ATOM 0 HB3 GLU A 51 7.947 6.480 -5.351 1.00 45.41 H new ATOM 0 HG2 GLU A 51 9.628 6.387 -3.525 1.00 71.54 H new ATOM 0 HG3 GLU A 51 9.174 4.726 -3.199 1.00 71.54 H new ATOM 755 N ILE A 52 5.390 4.560 -2.674 1.00 54.41 N ATOM 756 CA ILE A 52 5.016 3.453 -1.845 1.00 60.11 C ATOM 757 C ILE A 52 5.094 2.209 -2.684 1.00 72.33 C ATOM 758 O ILE A 52 4.315 2.047 -3.622 1.00 12.34 O ATOM 759 CB ILE A 52 3.579 3.577 -1.284 1.00 61.13 C ATOM 760 CG1 ILE A 52 3.414 4.877 -0.488 1.00 74.02 C ATOM 761 CG2 ILE A 52 3.281 2.372 -0.400 1.00 3.22 C ATOM 762 CD1 ILE A 52 2.009 5.113 0.040 1.00 44.44 C ATOM 0 H ILE A 52 4.702 4.812 -3.384 1.00 54.41 H new ATOM 0 HA ILE A 52 5.694 3.426 -0.992 1.00 60.11 H new ATOM 0 HB ILE A 52 2.874 3.603 -2.115 1.00 61.13 H new ATOM 0 HG12 ILE A 52 4.108 4.865 0.352 1.00 74.02 H new ATOM 0 HG13 ILE A 52 3.697 5.717 -1.123 1.00 74.02 H new ATOM 0 HG21 ILE A 52 2.270 2.454 -0.002 1.00 3.22 H new ATOM 0 HG22 ILE A 52 3.366 1.459 -0.989 1.00 3.22 H new ATOM 0 HG23 ILE A 52 3.994 2.340 0.424 1.00 3.22 H new ATOM 0 HD11 ILE A 52 1.980 6.053 0.591 1.00 44.44 H new ATOM 0 HD12 ILE A 52 1.310 5.160 -0.795 1.00 44.44 H new ATOM 0 HD13 ILE A 52 1.728 4.295 0.704 1.00 44.44 H new ATOM 774 N ARG A 53 6.017 1.351 -2.386 1.00 62.30 N ATOM 775 CA ARG A 53 6.156 0.152 -3.140 1.00 73.01 C ATOM 776 C ARG A 53 5.324 -0.898 -2.472 1.00 14.21 C ATOM 777 O ARG A 53 5.645 -1.364 -1.373 1.00 74.31 O ATOM 778 CB ARG A 53 7.602 -0.304 -3.212 1.00 34.42 C ATOM 779 CG ARG A 53 7.879 -1.226 -4.377 1.00 53.24 C ATOM 780 CD ARG A 53 9.266 -1.806 -4.299 1.00 52.22 C ATOM 781 NE ARG A 53 9.745 -2.237 -5.609 1.00 34.15 N ATOM 782 CZ ARG A 53 10.029 -3.485 -5.959 1.00 41.14 C ATOM 783 NH1 ARG A 53 9.526 -4.521 -5.273 1.00 21.41 N ATOM 784 NH2 ARG A 53 10.737 -3.699 -7.061 1.00 34.15 N ATOM 0 H ARG A 53 6.686 1.461 -1.624 1.00 62.30 H new ATOM 0 HA ARG A 53 5.826 0.328 -4.164 1.00 73.01 H new ATOM 0 HB2 ARG A 53 8.248 0.570 -3.288 1.00 34.42 H new ATOM 0 HB3 ARG A 53 7.862 -0.813 -2.284 1.00 34.42 H new ATOM 0 HG2 ARG A 53 7.146 -2.032 -4.388 1.00 53.24 H new ATOM 0 HG3 ARG A 53 7.764 -0.678 -5.312 1.00 53.24 H new ATOM 0 HD2 ARG A 53 9.949 -1.062 -3.888 1.00 52.22 H new ATOM 0 HD3 ARG A 53 9.268 -2.654 -3.614 1.00 52.22 H new ATOM 0 HE ARG A 53 9.873 -1.515 -6.318 1.00 34.15 H new ATOM 0 HH11 ARG A 53 8.917 -4.355 -4.472 1.00 21.41 H new ATOM 0 HH12 ARG A 53 9.752 -5.476 -5.552 1.00 21.41 H new ATOM 0 HH21 ARG A 53 11.054 -2.910 -7.625 1.00 34.15 H new ATOM 0 HH22 ARG A 53 10.964 -4.652 -7.344 1.00 34.15 H new ATOM 798 N TRP A 54 4.248 -1.234 -3.086 1.00 25.42 N ATOM 799 CA TRP A 54 3.374 -2.196 -2.533 1.00 65.42 C ATOM 800 C TRP A 54 3.601 -3.535 -3.172 1.00 50.14 C ATOM 801 O TRP A 54 3.445 -3.710 -4.388 1.00 63.42 O ATOM 802 CB TRP A 54 1.902 -1.739 -2.622 1.00 64.34 C ATOM 803 CG TRP A 54 0.881 -2.802 -2.235 1.00 15.15 C ATOM 804 CD1 TRP A 54 -0.112 -3.304 -3.021 1.00 11.53 C ATOM 805 CD2 TRP A 54 0.785 -3.515 -0.988 1.00 44.30 C ATOM 806 NE1 TRP A 54 -0.821 -4.262 -2.342 1.00 73.12 N ATOM 807 CE2 TRP A 54 -0.292 -4.415 -1.101 1.00 71.10 C ATOM 808 CE3 TRP A 54 1.497 -3.477 0.201 1.00 0.04 C ATOM 809 CZ2 TRP A 54 -0.665 -5.269 -0.066 1.00 1.13 C ATOM 810 CZ3 TRP A 54 1.132 -4.323 1.226 1.00 74.52 C ATOM 811 CH2 TRP A 54 0.059 -5.209 1.088 1.00 54.05 C ATOM 0 H TRP A 54 3.951 -0.850 -3.983 1.00 25.42 H new ATOM 0 HA TRP A 54 3.597 -2.299 -1.471 1.00 65.42 H new ATOM 0 HB2 TRP A 54 1.765 -0.871 -1.977 1.00 64.34 H new ATOM 0 HB3 TRP A 54 1.698 -1.413 -3.642 1.00 64.34 H new ATOM 0 HD1 TRP A 54 -0.313 -2.992 -4.035 1.00 11.53 H new ATOM 0 HE1 TRP A 54 -1.620 -4.778 -2.711 1.00 73.12 H new ATOM 0 HE3 TRP A 54 2.325 -2.795 0.322 1.00 0.04 H new ATOM 0 HZ2 TRP A 54 -1.495 -5.952 -0.173 1.00 1.13 H new ATOM 0 HZ3 TRP A 54 1.685 -4.301 2.153 1.00 74.52 H new ATOM 0 HH2 TRP A 54 -0.201 -5.858 1.911 1.00 54.05 H new ATOM 822 N ASP A 55 4.043 -4.435 -2.373 1.00 10.04 N ATOM 823 CA ASP A 55 4.227 -5.805 -2.753 1.00 55.20 C ATOM 824 C ASP A 55 3.315 -6.610 -1.922 1.00 2.54 C ATOM 825 O ASP A 55 2.847 -6.125 -0.892 1.00 42.24 O ATOM 826 CB ASP A 55 5.661 -6.282 -2.497 1.00 62.42 C ATOM 827 CG ASP A 55 6.608 -6.002 -3.625 1.00 40.31 C ATOM 828 OD1 ASP A 55 6.675 -6.826 -4.554 1.00 34.31 O ATOM 829 OD2 ASP A 55 7.329 -4.978 -3.596 1.00 12.41 O ATOM 0 H ASP A 55 4.297 -4.242 -1.404 1.00 10.04 H new ATOM 0 HA ASP A 55 4.026 -5.910 -3.819 1.00 55.20 H new ATOM 0 HB2 ASP A 55 6.037 -5.802 -1.593 1.00 62.42 H new ATOM 0 HB3 ASP A 55 5.647 -7.355 -2.306 1.00 62.42 H new ATOM 834 N GLY A 56 3.083 -7.838 -2.296 1.00 33.34 N ATOM 835 CA GLY A 56 2.249 -8.705 -1.486 1.00 70.41 C ATOM 836 C GLY A 56 3.035 -9.240 -0.300 1.00 54.23 C ATOM 837 O GLY A 56 3.101 -10.446 -0.083 1.00 2.03 O ATOM 0 H GLY A 56 3.452 -8.265 -3.146 1.00 33.34 H new ATOM 0 HA2 GLY A 56 1.376 -8.155 -1.134 1.00 70.41 H new ATOM 0 HA3 GLY A 56 1.881 -9.534 -2.090 1.00 70.41 H new ATOM 841 N GLN A 57 3.628 -8.325 0.433 1.00 23.24 N ATOM 842 CA GLN A 57 4.488 -8.579 1.564 1.00 0.03 C ATOM 843 C GLN A 57 4.227 -7.491 2.602 1.00 61.24 C ATOM 844 O GLN A 57 3.593 -7.723 3.631 1.00 64.41 O ATOM 845 CB GLN A 57 5.968 -8.484 1.133 1.00 24.51 C ATOM 846 CG GLN A 57 6.413 -9.471 0.074 1.00 22.24 C ATOM 847 CD GLN A 57 7.818 -9.186 -0.416 1.00 1.04 C ATOM 848 OE1 GLN A 57 8.018 -8.448 -1.379 1.00 12.33 O ATOM 849 NE2 GLN A 57 8.789 -9.738 0.241 1.00 24.32 N ATOM 0 H GLN A 57 3.516 -7.329 0.244 1.00 23.24 H new ATOM 0 HA GLN A 57 4.288 -9.573 1.964 1.00 0.03 H new ATOM 0 HB2 GLN A 57 6.155 -7.476 0.764 1.00 24.51 H new ATOM 0 HB3 GLN A 57 6.593 -8.621 2.016 1.00 24.51 H new ATOM 0 HG2 GLN A 57 6.369 -10.482 0.480 1.00 22.24 H new ATOM 0 HG3 GLN A 57 5.722 -9.435 -0.768 1.00 22.24 H new ATOM 0 HE21 GLN A 57 8.587 -10.345 1.035 1.00 24.32 H new ATOM 0 HE22 GLN A 57 9.755 -9.565 -0.036 1.00 24.32 H new ATOM 858 N VAL A 58 4.688 -6.289 2.282 1.00 60.00 N ATOM 859 CA VAL A 58 4.575 -5.101 3.121 1.00 62.34 C ATOM 860 C VAL A 58 4.499 -3.896 2.212 1.00 23.12 C ATOM 861 O VAL A 58 4.866 -3.992 1.031 1.00 33.45 O ATOM 862 CB VAL A 58 5.801 -4.900 4.091 1.00 70.32 C ATOM 863 CG1 VAL A 58 5.884 -5.988 5.140 1.00 64.21 C ATOM 864 CG2 VAL A 58 7.115 -4.812 3.316 1.00 70.01 C ATOM 0 H VAL A 58 5.168 -6.107 1.400 1.00 60.00 H new ATOM 0 HA VAL A 58 3.686 -5.223 3.740 1.00 62.34 H new ATOM 0 HB VAL A 58 5.637 -3.954 4.606 1.00 70.32 H new ATOM 0 HG11 VAL A 58 6.744 -5.807 5.785 1.00 64.21 H new ATOM 0 HG12 VAL A 58 4.974 -5.985 5.740 1.00 64.21 H new ATOM 0 HG13 VAL A 58 5.994 -6.956 4.652 1.00 64.21 H new ATOM 0 HG21 VAL A 58 7.941 -4.673 4.014 1.00 70.01 H new ATOM 0 HG22 VAL A 58 7.267 -5.732 2.752 1.00 70.01 H new ATOM 0 HG23 VAL A 58 7.076 -3.967 2.628 1.00 70.01 H new ATOM 874 N ALA A 59 4.002 -2.802 2.719 1.00 0.43 N ATOM 875 CA ALA A 59 3.965 -1.577 1.962 1.00 52.31 C ATOM 876 C ALA A 59 5.210 -0.777 2.278 1.00 65.12 C ATOM 877 O ALA A 59 5.363 -0.232 3.379 1.00 40.14 O ATOM 878 CB ALA A 59 2.702 -0.793 2.264 1.00 71.34 C ATOM 0 H ALA A 59 3.614 -2.732 3.660 1.00 0.43 H new ATOM 0 HA ALA A 59 3.947 -1.800 0.895 1.00 52.31 H new ATOM 0 HB1 ALA A 59 2.697 0.128 1.681 1.00 71.34 H new ATOM 0 HB2 ALA A 59 1.830 -1.393 2.003 1.00 71.34 H new ATOM 0 HB3 ALA A 59 2.670 -0.550 3.326 1.00 71.34 H new ATOM 884 N LEU A 60 6.108 -0.757 1.342 1.00 41.31 N ATOM 885 CA LEU A 60 7.382 -0.106 1.503 1.00 45.21 C ATOM 886 C LEU A 60 7.245 1.388 1.231 1.00 13.33 C ATOM 887 O LEU A 60 6.886 1.797 0.137 1.00 23.01 O ATOM 888 CB LEU A 60 8.378 -0.740 0.545 1.00 51.34 C ATOM 889 CG LEU A 60 9.814 -0.244 0.591 1.00 3.14 C ATOM 890 CD1 LEU A 60 10.444 -0.543 1.943 1.00 24.43 C ATOM 891 CD2 LEU A 60 10.601 -0.893 -0.530 1.00 64.42 C ATOM 0 H LEU A 60 5.980 -1.197 0.431 1.00 41.31 H new ATOM 0 HA LEU A 60 7.737 -0.229 2.526 1.00 45.21 H new ATOM 0 HB2 LEU A 60 8.388 -1.814 0.733 1.00 51.34 H new ATOM 0 HB3 LEU A 60 8.006 -0.597 -0.469 1.00 51.34 H new ATOM 0 HG LEU A 60 9.827 0.838 0.456 1.00 3.14 H new ATOM 0 HD11 LEU A 60 11.472 -0.180 1.954 1.00 24.43 H new ATOM 0 HD12 LEU A 60 9.875 -0.045 2.728 1.00 24.43 H new ATOM 0 HD13 LEU A 60 10.438 -1.619 2.117 1.00 24.43 H new ATOM 0 HD21 LEU A 60 11.632 -0.541 -0.502 1.00 64.42 H new ATOM 0 HD22 LEU A 60 10.584 -1.976 -0.407 1.00 64.42 H new ATOM 0 HD23 LEU A 60 10.154 -0.630 -1.488 1.00 64.42 H new ATOM 903 N LEU A 61 7.523 2.170 2.216 1.00 25.12 N ATOM 904 CA LEU A 61 7.400 3.601 2.137 1.00 74.01 C ATOM 905 C LEU A 61 8.779 4.192 1.885 1.00 63.12 C ATOM 906 O LEU A 61 9.702 3.980 2.673 1.00 45.11 O ATOM 907 CB LEU A 61 6.794 4.104 3.486 1.00 43.13 C ATOM 908 CG LEU A 61 6.385 5.593 3.664 1.00 1.34 C ATOM 909 CD1 LEU A 61 7.565 6.562 3.646 1.00 71.14 C ATOM 910 CD2 LEU A 61 5.343 5.979 2.638 1.00 14.31 C ATOM 0 H LEU A 61 7.850 1.834 3.122 1.00 25.12 H new ATOM 0 HA LEU A 61 6.746 3.909 1.321 1.00 74.01 H new ATOM 0 HB2 LEU A 61 5.907 3.502 3.684 1.00 43.13 H new ATOM 0 HB3 LEU A 61 7.517 3.874 4.268 1.00 43.13 H new ATOM 0 HG LEU A 61 5.955 5.678 4.662 1.00 1.34 H new ATOM 0 HD11 LEU A 61 7.201 7.581 3.776 1.00 71.14 H new ATOM 0 HD12 LEU A 61 8.250 6.316 4.457 1.00 71.14 H new ATOM 0 HD13 LEU A 61 8.087 6.482 2.693 1.00 71.14 H new ATOM 0 HD21 LEU A 61 5.067 7.024 2.776 1.00 14.31 H new ATOM 0 HD22 LEU A 61 5.750 5.840 1.636 1.00 14.31 H new ATOM 0 HD23 LEU A 61 4.461 5.351 2.762 1.00 14.31 H new ATOM 922 N ALA A 62 8.928 4.891 0.790 1.00 21.12 N ATOM 923 CA ALA A 62 10.165 5.557 0.476 1.00 25.52 C ATOM 924 C ALA A 62 9.896 7.020 0.154 1.00 13.34 C ATOM 925 O ALA A 62 9.099 7.338 -0.727 1.00 51.44 O ATOM 926 CB ALA A 62 10.876 4.862 -0.674 1.00 3.02 C ATOM 0 H ALA A 62 8.195 5.015 0.091 1.00 21.12 H new ATOM 0 HA ALA A 62 10.823 5.509 1.344 1.00 25.52 H new ATOM 0 HB1 ALA A 62 11.808 5.383 -0.894 1.00 3.02 H new ATOM 0 HB2 ALA A 62 11.093 3.830 -0.397 1.00 3.02 H new ATOM 0 HB3 ALA A 62 10.237 4.874 -1.557 1.00 3.02 H new ATOM 932 N ASP A 63 10.544 7.890 0.877 1.00 44.22 N ATOM 933 CA ASP A 63 10.360 9.337 0.737 1.00 42.14 C ATOM 934 C ASP A 63 11.413 9.933 -0.180 1.00 73.43 C ATOM 935 O ASP A 63 12.588 9.525 -0.142 1.00 24.03 O ATOM 936 CB ASP A 63 10.426 10.009 2.124 1.00 64.21 C ATOM 937 CG ASP A 63 10.465 11.536 2.079 1.00 14.24 C ATOM 938 OD1 ASP A 63 9.403 12.170 2.026 1.00 3.35 O ATOM 939 OD2 ASP A 63 11.574 12.109 2.147 1.00 72.00 O ATOM 0 H ASP A 63 11.224 7.629 1.591 1.00 44.22 H new ATOM 0 HA ASP A 63 9.381 9.518 0.293 1.00 42.14 H new ATOM 0 HB2 ASP A 63 9.561 9.696 2.709 1.00 64.21 H new ATOM 0 HB3 ASP A 63 11.312 9.649 2.648 1.00 64.21 H new ATOM 944 N LEU A 64 10.993 10.846 -1.024 1.00 32.22 N ATOM 945 CA LEU A 64 11.890 11.587 -1.903 1.00 41.22 C ATOM 946 C LEU A 64 11.696 13.105 -1.694 1.00 63.23 C ATOM 947 O LEU A 64 11.046 13.751 -2.530 1.00 31.24 O ATOM 948 CB LEU A 64 11.585 11.326 -3.416 1.00 64.34 C ATOM 949 CG LEU A 64 11.784 9.941 -4.053 1.00 22.55 C ATOM 950 CD1 LEU A 64 13.207 9.456 -3.917 1.00 53.12 C ATOM 951 CD2 LEU A 64 10.786 8.909 -3.553 1.00 42.14 C ATOM 0 H LEU A 64 10.011 11.103 -1.127 1.00 32.22 H new ATOM 0 HA LEU A 64 12.899 11.255 -1.657 1.00 41.22 H new ATOM 0 HB2 LEU A 64 10.544 11.603 -3.580 1.00 64.34 H new ATOM 0 HB3 LEU A 64 12.195 12.027 -3.987 1.00 64.34 H new ATOM 0 HG LEU A 64 11.584 10.068 -5.117 1.00 22.55 H new ATOM 0 HD11 LEU A 64 13.303 8.474 -4.381 1.00 53.12 H new ATOM 0 HD12 LEU A 64 13.879 10.158 -4.411 1.00 53.12 H new ATOM 0 HD13 LEU A 64 13.468 9.386 -2.861 1.00 53.12 H new ATOM 0 HD21 LEU A 64 10.978 7.952 -4.039 1.00 42.14 H new ATOM 0 HD22 LEU A 64 10.890 8.795 -2.474 1.00 42.14 H new ATOM 0 HD23 LEU A 64 9.774 9.239 -3.787 1.00 42.14 H new ATOM 963 N ASN A 65 12.241 13.682 -0.621 1.00 30.01 N ATOM 964 CA ASN A 65 12.157 15.147 -0.418 1.00 44.34 C ATOM 965 C ASN A 65 12.957 15.563 0.820 1.00 25.40 C ATOM 966 O ASN A 65 12.940 14.886 1.843 1.00 31.34 O ATOM 967 CB ASN A 65 10.676 15.625 -0.299 1.00 52.11 C ATOM 968 CG ASN A 65 10.485 17.136 -0.500 1.00 51.32 C ATOM 969 OD1 ASN A 65 11.331 17.955 -0.157 1.00 71.23 O ATOM 970 ND2 ASN A 65 9.373 17.514 -1.078 1.00 74.04 N ATOM 0 H ASN A 65 12.738 13.177 0.113 1.00 30.01 H new ATOM 0 HA ASN A 65 12.591 15.629 -1.294 1.00 44.34 H new ATOM 0 HB2 ASN A 65 10.074 15.093 -1.035 1.00 52.11 H new ATOM 0 HB3 ASN A 65 10.295 15.349 0.684 1.00 52.11 H new ATOM 0 HD21 ASN A 65 9.199 18.504 -1.250 1.00 74.04 H new ATOM 0 HD22 ASN A 65 8.681 16.818 -1.356 1.00 74.04 H new ATOM 977 N SER A 66 13.666 16.659 0.713 1.00 75.32 N ATOM 978 CA SER A 66 14.474 17.156 1.796 1.00 54.23 C ATOM 979 C SER A 66 13.738 18.242 2.611 1.00 74.33 C ATOM 980 O SER A 66 13.825 18.278 3.835 1.00 40.31 O ATOM 981 CB SER A 66 15.787 17.682 1.222 1.00 0.43 C ATOM 982 OG SER A 66 15.530 18.562 0.129 1.00 51.43 O ATOM 0 H SER A 66 13.698 17.232 -0.130 1.00 75.32 H new ATOM 0 HA SER A 66 14.680 16.342 2.492 1.00 54.23 H new ATOM 0 HB2 SER A 66 16.347 18.206 1.997 1.00 0.43 H new ATOM 0 HB3 SER A 66 16.407 16.849 0.890 1.00 0.43 H new ATOM 0 HG SER A 66 16.379 18.894 -0.230 1.00 51.43 H new ATOM 988 N THR A 67 12.993 19.096 1.933 1.00 32.22 N ATOM 989 CA THR A 67 12.314 20.194 2.593 1.00 1.23 C ATOM 990 C THR A 67 10.906 19.803 3.082 1.00 33.44 C ATOM 991 O THR A 67 10.542 20.073 4.219 1.00 33.20 O ATOM 992 CB THR A 67 12.292 21.491 1.704 1.00 63.44 C ATOM 993 OG1 THR A 67 11.507 22.531 2.308 1.00 61.33 O ATOM 994 CG2 THR A 67 11.785 21.212 0.292 1.00 11.34 C ATOM 0 H THR A 67 12.843 19.050 0.925 1.00 32.22 H new ATOM 0 HA THR A 67 12.896 20.430 3.484 1.00 1.23 H new ATOM 0 HB THR A 67 13.326 21.830 1.632 1.00 63.44 H new ATOM 0 HG1 THR A 67 11.515 23.323 1.732 1.00 61.33 H new ATOM 0 HG21 THR A 67 11.787 22.137 -0.285 1.00 11.34 H new ATOM 0 HG22 THR A 67 12.435 20.482 -0.190 1.00 11.34 H new ATOM 0 HG23 THR A 67 10.770 20.818 0.341 1.00 11.34 H new ATOM 1002 N ASN A 68 10.151 19.115 2.252 1.00 32.11 N ATOM 1003 CA ASN A 68 8.771 18.732 2.589 1.00 62.12 C ATOM 1004 C ASN A 68 8.730 17.244 2.908 1.00 0.31 C ATOM 1005 O ASN A 68 7.693 16.584 2.745 1.00 2.20 O ATOM 1006 CB ASN A 68 7.808 19.053 1.417 1.00 63.25 C ATOM 1007 CG ASN A 68 7.733 20.535 1.057 1.00 72.41 C ATOM 1008 OD1 ASN A 68 8.521 21.026 0.247 1.00 23.52 O ATOM 1009 ND2 ASN A 68 6.779 21.247 1.607 1.00 74.21 N ATOM 0 H ASN A 68 10.460 18.802 1.332 1.00 32.11 H new ATOM 0 HA ASN A 68 8.446 19.304 3.458 1.00 62.12 H new ATOM 0 HB2 ASN A 68 8.125 18.492 0.537 1.00 63.25 H new ATOM 0 HB3 ASN A 68 6.809 18.702 1.676 1.00 63.25 H new ATOM 0 HD21 ASN A 68 6.676 22.233 1.367 1.00 74.21 H new ATOM 0 HD22 ASN A 68 6.140 20.815 2.275 1.00 74.21 H new ATOM 1016 N GLY A 69 9.879 16.745 3.380 1.00 32.23 N ATOM 1017 CA GLY A 69 10.085 15.336 3.701 1.00 4.03 C ATOM 1018 C GLY A 69 9.020 14.750 4.598 1.00 12.41 C ATOM 1019 O GLY A 69 8.562 15.394 5.564 1.00 11.30 O ATOM 0 H GLY A 69 10.702 17.322 3.551 1.00 32.23 H new ATOM 0 HA2 GLY A 69 10.120 14.764 2.774 1.00 4.03 H new ATOM 0 HA3 GLY A 69 11.056 15.222 4.183 1.00 4.03 H new ATOM 1023 N THR A 70 8.632 13.564 4.274 1.00 15.12 N ATOM 1024 CA THR A 70 7.583 12.850 4.931 1.00 12.34 C ATOM 1025 C THR A 70 7.971 12.353 6.332 1.00 54.54 C ATOM 1026 O THR A 70 9.091 11.862 6.561 1.00 51.53 O ATOM 1027 CB THR A 70 7.195 11.665 4.053 1.00 50.34 C ATOM 1028 OG1 THR A 70 6.913 12.154 2.735 1.00 1.12 O ATOM 1029 CG2 THR A 70 5.989 10.927 4.601 1.00 64.23 C ATOM 0 H THR A 70 9.055 13.039 3.509 1.00 15.12 H new ATOM 0 HA THR A 70 6.747 13.536 5.072 1.00 12.34 H new ATOM 0 HB THR A 70 8.023 10.956 4.033 1.00 50.34 H new ATOM 0 HG1 THR A 70 7.641 11.901 2.129 1.00 1.12 H new ATOM 0 HG21 THR A 70 5.746 10.090 3.946 1.00 64.23 H new ATOM 0 HG22 THR A 70 6.214 10.553 5.600 1.00 64.23 H new ATOM 0 HG23 THR A 70 5.139 11.607 4.652 1.00 64.23 H new ATOM 1037 N THR A 71 7.050 12.498 7.255 1.00 62.13 N ATOM 1038 CA THR A 71 7.206 11.977 8.562 1.00 54.34 C ATOM 1039 C THR A 71 6.334 10.766 8.731 1.00 43.41 C ATOM 1040 O THR A 71 5.212 10.720 8.217 1.00 31.12 O ATOM 1041 CB THR A 71 6.862 13.014 9.635 1.00 32.54 C ATOM 1042 OG1 THR A 71 5.620 13.669 9.324 1.00 72.53 O ATOM 1043 CG2 THR A 71 7.963 14.020 9.757 1.00 5.03 C ATOM 0 H THR A 71 6.168 12.988 7.103 1.00 62.13 H new ATOM 0 HA THR A 71 8.254 11.704 8.688 1.00 54.34 H new ATOM 0 HB THR A 71 6.751 12.499 10.589 1.00 32.54 H new ATOM 0 HG1 THR A 71 5.414 14.327 10.020 1.00 72.53 H new ATOM 0 HG21 THR A 71 7.705 14.751 10.523 1.00 5.03 H new ATOM 0 HG22 THR A 71 8.888 13.515 10.034 1.00 5.03 H new ATOM 0 HG23 THR A 71 8.099 14.528 8.802 1.00 5.03 H new ATOM 1051 N VAL A 72 6.849 9.795 9.403 1.00 52.33 N ATOM 1052 CA VAL A 72 6.129 8.611 9.708 1.00 14.34 C ATOM 1053 C VAL A 72 6.058 8.494 11.215 1.00 50.41 C ATOM 1054 O VAL A 72 7.086 8.464 11.901 1.00 13.42 O ATOM 1055 CB VAL A 72 6.775 7.348 9.073 1.00 12.22 C ATOM 1056 CG1 VAL A 72 6.780 7.456 7.554 1.00 54.51 C ATOM 1057 CG2 VAL A 72 8.194 7.142 9.565 1.00 51.23 C ATOM 0 H VAL A 72 7.803 9.804 9.763 1.00 52.33 H new ATOM 0 HA VAL A 72 5.128 8.674 9.282 1.00 14.34 H new ATOM 0 HB VAL A 72 6.174 6.490 9.376 1.00 12.22 H new ATOM 0 HG11 VAL A 72 7.236 6.563 7.127 1.00 54.51 H new ATOM 0 HG12 VAL A 72 5.756 7.549 7.192 1.00 54.51 H new ATOM 0 HG13 VAL A 72 7.352 8.334 7.254 1.00 54.51 H new ATOM 0 HG21 VAL A 72 8.614 6.250 9.100 1.00 51.23 H new ATOM 0 HG22 VAL A 72 8.800 8.009 9.301 1.00 51.23 H new ATOM 0 HG23 VAL A 72 8.189 7.019 10.648 1.00 51.23 H new ATOM 1067 N ASN A 73 4.857 8.560 11.737 1.00 23.12 N ATOM 1068 CA ASN A 73 4.610 8.529 13.180 1.00 63.50 C ATOM 1069 C ASN A 73 5.354 9.669 13.865 1.00 31.31 C ATOM 1070 O ASN A 73 5.746 9.573 15.031 1.00 31.20 O ATOM 1071 CB ASN A 73 4.958 7.151 13.779 1.00 24.21 C ATOM 1072 CG ASN A 73 3.991 6.080 13.311 1.00 72.21 C ATOM 1073 OD1 ASN A 73 2.813 6.361 13.061 1.00 1.41 O ATOM 1074 ND2 ASN A 73 4.457 4.870 13.179 1.00 51.12 N ATOM 0 H ASN A 73 4.008 8.638 11.177 1.00 23.12 H new ATOM 0 HA ASN A 73 3.545 8.679 13.358 1.00 63.50 H new ATOM 0 HB2 ASN A 73 5.973 6.875 13.494 1.00 24.21 H new ATOM 0 HB3 ASN A 73 4.937 7.211 14.867 1.00 24.21 H new ATOM 0 HD21 ASN A 73 3.844 4.119 12.860 1.00 51.12 H new ATOM 0 HD22 ASN A 73 5.435 4.674 13.394 1.00 51.12 H new ATOM 1081 N ASN A 74 5.496 10.767 13.093 1.00 60.31 N ATOM 1082 CA ASN A 74 6.159 12.023 13.468 1.00 74.54 C ATOM 1083 C ASN A 74 7.680 12.039 13.165 1.00 14.25 C ATOM 1084 O ASN A 74 8.314 13.095 13.168 1.00 14.33 O ATOM 1085 CB ASN A 74 5.802 12.500 14.906 1.00 53.41 C ATOM 1086 CG ASN A 74 6.508 13.774 15.324 1.00 34.04 C ATOM 1087 OD1 ASN A 74 7.570 13.744 15.947 1.00 4.14 O ATOM 1088 ND2 ASN A 74 5.948 14.892 14.979 1.00 44.03 N ATOM 0 H ASN A 74 5.130 10.797 12.141 1.00 60.31 H new ATOM 0 HA ASN A 74 5.738 12.778 12.804 1.00 74.54 H new ATOM 0 HB2 ASN A 74 4.725 12.656 14.970 1.00 53.41 H new ATOM 0 HB3 ASN A 74 6.052 11.709 15.613 1.00 53.41 H new ATOM 0 HD21 ASN A 74 6.388 15.779 15.223 1.00 44.03 H new ATOM 0 HD22 ASN A 74 5.068 14.884 14.463 1.00 44.03 H new ATOM 1095 N ALA A 75 8.245 10.903 12.830 1.00 61.45 N ATOM 1096 CA ALA A 75 9.673 10.842 12.539 1.00 71.44 C ATOM 1097 C ALA A 75 9.929 10.951 11.034 1.00 42.44 C ATOM 1098 O ALA A 75 9.445 10.128 10.268 1.00 11.01 O ATOM 1099 CB ALA A 75 10.272 9.551 13.077 1.00 15.24 C ATOM 0 H ALA A 75 7.752 10.014 12.750 1.00 61.45 H new ATOM 0 HA ALA A 75 10.153 11.687 13.033 1.00 71.44 H new ATOM 0 HB1 ALA A 75 11.338 9.523 12.851 1.00 15.24 H new ATOM 0 HB2 ALA A 75 10.129 9.506 14.157 1.00 15.24 H new ATOM 0 HB3 ALA A 75 9.779 8.699 12.609 1.00 15.24 H new ATOM 1105 N PRO A 76 10.640 11.995 10.575 1.00 1.33 N ATOM 1106 CA PRO A 76 11.000 12.120 9.163 1.00 23.34 C ATOM 1107 C PRO A 76 12.034 11.071 8.787 1.00 24.04 C ATOM 1108 O PRO A 76 13.097 10.973 9.411 1.00 63.12 O ATOM 1109 CB PRO A 76 11.592 13.532 9.055 1.00 11.12 C ATOM 1110 CG PRO A 76 12.033 13.876 10.439 1.00 44.23 C ATOM 1111 CD PRO A 76 11.129 13.128 11.379 1.00 70.40 C ATOM 0 HA PRO A 76 10.153 11.971 8.494 1.00 23.34 H new ATOM 0 HB2 PRO A 76 12.429 13.556 8.357 1.00 11.12 H new ATOM 0 HB3 PRO A 76 10.851 14.243 8.689 1.00 11.12 H new ATOM 0 HG2 PRO A 76 13.074 13.592 10.595 1.00 44.23 H new ATOM 0 HG3 PRO A 76 11.966 14.950 10.611 1.00 44.23 H new ATOM 0 HD2 PRO A 76 11.667 12.787 12.264 1.00 70.40 H new ATOM 0 HD3 PRO A 76 10.308 13.755 11.727 1.00 70.40 H new ATOM 1119 N VAL A 77 11.740 10.293 7.787 1.00 41.41 N ATOM 1120 CA VAL A 77 12.623 9.204 7.382 1.00 5.34 C ATOM 1121 C VAL A 77 12.722 9.147 5.881 1.00 30.34 C ATOM 1122 O VAL A 77 12.052 9.902 5.185 1.00 13.12 O ATOM 1123 CB VAL A 77 12.132 7.811 7.890 1.00 33.31 C ATOM 1124 CG1 VAL A 77 12.104 7.732 9.414 1.00 74.13 C ATOM 1125 CG2 VAL A 77 10.768 7.479 7.304 1.00 75.10 C ATOM 0 H VAL A 77 10.894 10.382 7.225 1.00 41.41 H new ATOM 0 HA VAL A 77 13.594 9.413 7.831 1.00 5.34 H new ATOM 0 HB VAL A 77 12.850 7.067 7.545 1.00 33.31 H new ATOM 0 HG11 VAL A 77 11.756 6.746 9.721 1.00 74.13 H new ATOM 0 HG12 VAL A 77 13.107 7.901 9.806 1.00 74.13 H new ATOM 0 HG13 VAL A 77 11.429 8.493 9.805 1.00 74.13 H new ATOM 0 HG21 VAL A 77 10.442 6.505 7.669 1.00 75.10 H new ATOM 0 HG22 VAL A 77 10.047 8.239 7.606 1.00 75.10 H new ATOM 0 HG23 VAL A 77 10.835 7.455 6.216 1.00 75.10 H new ATOM 1135 N GLN A 78 13.555 8.257 5.395 1.00 61.11 N ATOM 1136 CA GLN A 78 13.709 8.040 3.974 1.00 52.05 C ATOM 1137 C GLN A 78 12.997 6.759 3.579 1.00 2.33 C ATOM 1138 O GLN A 78 12.484 6.638 2.471 1.00 44.22 O ATOM 1139 CB GLN A 78 15.181 7.941 3.605 1.00 52.34 C ATOM 1140 CG GLN A 78 15.988 9.163 3.988 1.00 23.10 C ATOM 1141 CD GLN A 78 17.453 9.003 3.682 1.00 23.45 C ATOM 1142 OE1 GLN A 78 17.984 7.892 3.703 1.00 54.32 O ATOM 1143 NE2 GLN A 78 18.113 10.089 3.415 1.00 5.44 N ATOM 0 H GLN A 78 14.147 7.661 5.974 1.00 61.11 H new ATOM 0 HA GLN A 78 13.273 8.884 3.440 1.00 52.05 H new ATOM 0 HB2 GLN A 78 15.610 7.066 4.092 1.00 52.34 H new ATOM 0 HB3 GLN A 78 15.267 7.782 2.530 1.00 52.34 H new ATOM 0 HG2 GLN A 78 15.601 10.032 3.455 1.00 23.10 H new ATOM 0 HG3 GLN A 78 15.861 9.359 5.053 1.00 23.10 H new ATOM 0 HE21 GLN A 78 17.633 10.989 3.408 1.00 5.44 H new ATOM 0 HE22 GLN A 78 19.111 10.042 3.212 1.00 5.44 H new ATOM 1152 N GLU A 79 12.969 5.802 4.496 1.00 34.14 N ATOM 1153 CA GLU A 79 12.309 4.539 4.262 1.00 4.43 C ATOM 1154 C GLU A 79 11.633 4.061 5.527 1.00 25.12 C ATOM 1155 O GLU A 79 12.106 4.344 6.640 1.00 63.34 O ATOM 1156 CB GLU A 79 13.287 3.485 3.739 1.00 0.43 C ATOM 1157 CG GLU A 79 14.468 3.209 4.653 1.00 73.45 C ATOM 1158 CD GLU A 79 15.376 2.163 4.087 1.00 72.41 C ATOM 1159 OE1 GLU A 79 16.141 2.472 3.159 1.00 72.14 O ATOM 1160 OE2 GLU A 79 15.331 1.001 4.538 1.00 4.44 O ATOM 0 H GLU A 79 13.402 5.885 5.416 1.00 34.14 H new ATOM 0 HA GLU A 79 11.550 4.691 3.494 1.00 4.43 H new ATOM 0 HB2 GLU A 79 12.744 2.554 3.577 1.00 0.43 H new ATOM 0 HB3 GLU A 79 13.663 3.808 2.768 1.00 0.43 H new ATOM 0 HG2 GLU A 79 15.029 4.130 4.811 1.00 73.45 H new ATOM 0 HG3 GLU A 79 14.105 2.886 5.629 1.00 73.45 H new ATOM 1167 N TRP A 80 10.540 3.375 5.361 1.00 64.11 N ATOM 1168 CA TRP A 80 9.749 2.855 6.447 1.00 65.43 C ATOM 1169 C TRP A 80 8.853 1.783 5.885 1.00 50.42 C ATOM 1170 O TRP A 80 8.555 1.794 4.703 1.00 53.41 O ATOM 1171 CB TRP A 80 8.913 4.009 7.043 1.00 71.25 C ATOM 1172 CG TRP A 80 8.008 3.676 8.196 1.00 44.34 C ATOM 1173 CD1 TRP A 80 6.686 3.357 8.135 1.00 71.04 C ATOM 1174 CD2 TRP A 80 8.352 3.685 9.583 1.00 72.20 C ATOM 1175 NE1 TRP A 80 6.191 3.151 9.394 1.00 53.40 N ATOM 1176 CE2 TRP A 80 7.192 3.349 10.302 1.00 11.12 C ATOM 1177 CE3 TRP A 80 9.531 3.939 10.288 1.00 75.44 C ATOM 1178 CZ2 TRP A 80 7.175 3.265 11.686 1.00 13.12 C ATOM 1179 CZ3 TRP A 80 9.511 3.856 11.660 1.00 24.20 C ATOM 1180 CH2 TRP A 80 8.339 3.520 12.346 1.00 52.43 C ATOM 0 H TRP A 80 10.160 3.153 4.441 1.00 64.11 H new ATOM 0 HA TRP A 80 10.373 2.434 7.235 1.00 65.43 H new ATOM 0 HB2 TRP A 80 9.599 4.791 7.367 1.00 71.25 H new ATOM 0 HB3 TRP A 80 8.302 4.431 6.245 1.00 71.25 H new ATOM 0 HD1 TRP A 80 6.111 3.278 7.224 1.00 71.04 H new ATOM 0 HE1 TRP A 80 5.230 2.892 9.618 1.00 53.40 H new ATOM 0 HE3 TRP A 80 10.441 4.196 9.765 1.00 75.44 H new ATOM 0 HZ2 TRP A 80 6.273 3.007 12.221 1.00 13.12 H new ATOM 0 HZ3 TRP A 80 10.415 4.053 12.217 1.00 24.20 H new ATOM 0 HH2 TRP A 80 8.358 3.461 13.424 1.00 52.43 H new ATOM 1191 N GLN A 81 8.484 0.843 6.675 1.00 52.13 N ATOM 1192 CA GLN A 81 7.527 -0.129 6.234 1.00 53.41 C ATOM 1193 C GLN A 81 6.209 0.119 6.934 1.00 2.03 C ATOM 1194 O GLN A 81 6.096 -0.033 8.156 1.00 33.54 O ATOM 1195 CB GLN A 81 8.039 -1.570 6.360 1.00 34.33 C ATOM 1196 CG GLN A 81 8.542 -1.971 7.728 1.00 51.24 C ATOM 1197 CD GLN A 81 9.091 -3.379 7.729 1.00 64.13 C ATOM 1198 OE1 GLN A 81 8.370 -4.344 7.981 1.00 61.33 O ATOM 1199 NE2 GLN A 81 10.352 -3.517 7.408 1.00 73.52 N ATOM 0 H GLN A 81 8.823 0.717 7.629 1.00 52.13 H new ATOM 0 HA GLN A 81 7.364 -0.007 5.163 1.00 53.41 H new ATOM 0 HB2 GLN A 81 7.234 -2.248 6.076 1.00 34.33 H new ATOM 0 HB3 GLN A 81 8.845 -1.714 5.641 1.00 34.33 H new ATOM 0 HG2 GLN A 81 9.319 -1.277 8.048 1.00 51.24 H new ATOM 0 HG3 GLN A 81 7.730 -1.896 8.451 1.00 51.24 H new ATOM 0 HE21 GLN A 81 10.920 -2.694 7.205 1.00 73.52 H new ATOM 0 HE22 GLN A 81 10.767 -4.447 7.360 1.00 73.52 H new ATOM 1208 N LEU A 82 5.254 0.592 6.152 1.00 4.53 N ATOM 1209 CA LEU A 82 3.937 0.994 6.632 1.00 11.11 C ATOM 1210 C LEU A 82 3.234 -0.127 7.349 1.00 45.33 C ATOM 1211 O LEU A 82 3.025 -1.205 6.781 1.00 54.05 O ATOM 1212 CB LEU A 82 3.055 1.434 5.463 1.00 1.31 C ATOM 1213 CG LEU A 82 3.586 2.558 4.591 1.00 41.51 C ATOM 1214 CD1 LEU A 82 2.646 2.824 3.427 1.00 13.21 C ATOM 1215 CD2 LEU A 82 3.780 3.813 5.406 1.00 40.12 C ATOM 0 H LEU A 82 5.372 0.711 5.146 1.00 4.53 H new ATOM 0 HA LEU A 82 4.095 1.819 7.327 1.00 11.11 H new ATOM 0 HB2 LEU A 82 2.875 0.567 4.828 1.00 1.31 H new ATOM 0 HB3 LEU A 82 2.089 1.742 5.863 1.00 1.31 H new ATOM 0 HG LEU A 82 4.552 2.251 4.190 1.00 41.51 H new ATOM 0 HD11 LEU A 82 3.045 3.633 2.815 1.00 13.21 H new ATOM 0 HD12 LEU A 82 2.553 1.923 2.821 1.00 13.21 H new ATOM 0 HD13 LEU A 82 1.665 3.108 3.809 1.00 13.21 H new ATOM 0 HD21 LEU A 82 4.161 4.608 4.765 1.00 40.12 H new ATOM 0 HD22 LEU A 82 2.826 4.119 5.835 1.00 40.12 H new ATOM 0 HD23 LEU A 82 4.493 3.620 6.207 1.00 40.12 H new ATOM 1227 N ALA A 83 2.887 0.121 8.575 1.00 21.42 N ATOM 1228 CA ALA A 83 2.115 -0.786 9.349 1.00 72.11 C ATOM 1229 C ALA A 83 0.761 -0.162 9.582 1.00 2.44 C ATOM 1230 O ALA A 83 0.567 1.044 9.336 1.00 23.55 O ATOM 1231 CB ALA A 83 2.801 -1.081 10.672 1.00 35.41 C ATOM 0 H ALA A 83 3.140 0.977 9.069 1.00 21.42 H new ATOM 0 HA ALA A 83 2.007 -1.732 8.819 1.00 72.11 H new ATOM 0 HB1 ALA A 83 2.193 -1.778 11.250 1.00 35.41 H new ATOM 0 HB2 ALA A 83 3.780 -1.523 10.484 1.00 35.41 H new ATOM 0 HB3 ALA A 83 2.923 -0.155 11.233 1.00 35.41 H new ATOM 1237 N ASP A 84 -0.167 -0.947 10.036 1.00 34.43 N ATOM 1238 CA ASP A 84 -1.503 -0.472 10.310 1.00 2.15 C ATOM 1239 C ASP A 84 -1.497 0.496 11.478 1.00 63.21 C ATOM 1240 O ASP A 84 -0.932 0.204 12.536 1.00 21.25 O ATOM 1241 CB ASP A 84 -2.432 -1.640 10.595 1.00 71.41 C ATOM 1242 CG ASP A 84 -3.825 -1.198 10.953 1.00 14.14 C ATOM 1243 OD1 ASP A 84 -4.534 -0.675 10.083 1.00 5.30 O ATOM 1244 OD2 ASP A 84 -4.255 -1.419 12.103 1.00 61.43 O ATOM 0 H ASP A 84 -0.027 -1.939 10.230 1.00 34.43 H new ATOM 0 HA ASP A 84 -1.868 0.056 9.429 1.00 2.15 H new ATOM 0 HB2 ASP A 84 -2.474 -2.288 9.719 1.00 71.41 H new ATOM 0 HB3 ASP A 84 -2.022 -2.234 11.412 1.00 71.41 H new ATOM 1249 N GLY A 85 -2.052 1.660 11.259 1.00 44.11 N ATOM 1250 CA GLY A 85 -2.146 2.652 12.295 1.00 42.23 C ATOM 1251 C GLY A 85 -1.072 3.713 12.199 1.00 43.40 C ATOM 1252 O GLY A 85 -1.070 4.667 12.989 1.00 42.12 O ATOM 0 H GLY A 85 -2.449 1.944 10.363 1.00 44.11 H new ATOM 0 HA2 GLY A 85 -3.125 3.129 12.246 1.00 42.23 H new ATOM 0 HA3 GLY A 85 -2.079 2.162 13.266 1.00 42.23 H new ATOM 1256 N ASP A 86 -0.162 3.566 11.239 1.00 53.21 N ATOM 1257 CA ASP A 86 0.936 4.531 11.077 1.00 51.52 C ATOM 1258 C ASP A 86 0.440 5.842 10.497 1.00 51.23 C ATOM 1259 O ASP A 86 -0.424 5.852 9.606 1.00 53.14 O ATOM 1260 CB ASP A 86 2.108 3.986 10.222 1.00 55.31 C ATOM 1261 CG ASP A 86 2.943 2.920 10.910 1.00 5.02 C ATOM 1262 OD1 ASP A 86 2.886 2.802 12.160 1.00 40.40 O ATOM 1263 OD2 ASP A 86 3.715 2.209 10.219 1.00 52.10 O ATOM 0 H ASP A 86 -0.157 2.799 10.566 1.00 53.21 H new ATOM 0 HA ASP A 86 1.323 4.706 12.081 1.00 51.52 H new ATOM 0 HB2 ASP A 86 1.706 3.574 9.296 1.00 55.31 H new ATOM 0 HB3 ASP A 86 2.757 4.817 9.946 1.00 55.31 H new ATOM 1268 N VAL A 87 0.971 6.937 11.015 1.00 33.50 N ATOM 1269 CA VAL A 87 0.604 8.276 10.569 1.00 21.41 C ATOM 1270 C VAL A 87 1.704 8.840 9.683 1.00 32.44 C ATOM 1271 O VAL A 87 2.828 9.016 10.120 1.00 62.11 O ATOM 1272 CB VAL A 87 0.362 9.241 11.766 1.00 54.21 C ATOM 1273 CG1 VAL A 87 -0.126 10.602 11.274 1.00 43.20 C ATOM 1274 CG2 VAL A 87 -0.632 8.640 12.751 1.00 13.43 C ATOM 0 H VAL A 87 1.670 6.925 11.758 1.00 33.50 H new ATOM 0 HA VAL A 87 -0.328 8.193 10.009 1.00 21.41 H new ATOM 0 HB VAL A 87 1.311 9.384 12.282 1.00 54.21 H new ATOM 0 HG11 VAL A 87 -0.289 11.260 12.127 1.00 43.20 H new ATOM 0 HG12 VAL A 87 0.623 11.041 10.615 1.00 43.20 H new ATOM 0 HG13 VAL A 87 -1.061 10.478 10.728 1.00 43.20 H new ATOM 0 HG21 VAL A 87 -0.786 9.331 13.580 1.00 13.43 H new ATOM 0 HG22 VAL A 87 -1.581 8.461 12.246 1.00 13.43 H new ATOM 0 HG23 VAL A 87 -0.241 7.697 13.133 1.00 13.43 H new ATOM 1284 N ILE A 88 1.376 9.094 8.463 1.00 44.31 N ATOM 1285 CA ILE A 88 2.307 9.579 7.477 1.00 13.44 C ATOM 1286 C ILE A 88 1.943 11.021 7.103 1.00 32.40 C ATOM 1287 O ILE A 88 0.808 11.298 6.741 1.00 63.21 O ATOM 1288 CB ILE A 88 2.281 8.661 6.181 1.00 35.11 C ATOM 1289 CG1 ILE A 88 2.964 7.290 6.400 1.00 13.11 C ATOM 1290 CG2 ILE A 88 2.890 9.349 4.971 1.00 63.44 C ATOM 1291 CD1 ILE A 88 2.294 6.360 7.385 1.00 14.10 C ATOM 0 H ILE A 88 0.429 8.970 8.104 1.00 44.31 H new ATOM 0 HA ILE A 88 3.313 9.550 7.896 1.00 13.44 H new ATOM 0 HB ILE A 88 1.224 8.483 5.983 1.00 35.11 H new ATOM 0 HG12 ILE A 88 3.028 6.782 5.438 1.00 13.11 H new ATOM 0 HG13 ILE A 88 3.986 7.466 6.736 1.00 13.11 H new ATOM 0 HG21 ILE A 88 2.848 8.679 4.112 1.00 63.44 H new ATOM 0 HG22 ILE A 88 2.331 10.258 4.750 1.00 63.44 H new ATOM 0 HG23 ILE A 88 3.929 9.604 5.182 1.00 63.44 H new ATOM 0 HD11 ILE A 88 2.863 5.433 7.454 1.00 14.10 H new ATOM 0 HD12 ILE A 88 2.254 6.835 8.365 1.00 14.10 H new ATOM 0 HD13 ILE A 88 1.281 6.140 7.047 1.00 14.10 H new ATOM 1303 N ARG A 89 2.872 11.934 7.230 1.00 42.33 N ATOM 1304 CA ARG A 89 2.625 13.292 6.798 1.00 44.42 C ATOM 1305 C ARG A 89 3.634 13.673 5.732 1.00 4.22 C ATOM 1306 O ARG A 89 4.838 13.752 5.998 1.00 72.14 O ATOM 1307 CB ARG A 89 2.675 14.308 7.951 1.00 63.32 C ATOM 1308 CG ARG A 89 2.294 15.722 7.505 1.00 63.13 C ATOM 1309 CD ARG A 89 2.547 16.770 8.573 1.00 71.20 C ATOM 1310 NE ARG A 89 1.785 16.557 9.805 1.00 72.43 N ATOM 1311 CZ ARG A 89 2.047 17.177 10.966 1.00 2.42 C ATOM 1312 NH1 ARG A 89 3.057 18.051 11.045 1.00 23.50 N ATOM 1313 NH2 ARG A 89 1.293 16.933 12.032 1.00 44.11 N ATOM 0 H ARG A 89 3.798 11.768 7.624 1.00 42.33 H new ATOM 0 HA ARG A 89 1.613 13.323 6.395 1.00 44.42 H new ATOM 0 HB2 ARG A 89 1.999 13.986 8.744 1.00 63.32 H new ATOM 0 HB3 ARG A 89 3.679 14.323 8.375 1.00 63.32 H new ATOM 0 HG2 ARG A 89 2.860 15.979 6.610 1.00 63.13 H new ATOM 0 HG3 ARG A 89 1.239 15.738 7.231 1.00 63.13 H new ATOM 0 HD2 ARG A 89 3.610 16.781 8.812 1.00 71.20 H new ATOM 0 HD3 ARG A 89 2.300 17.752 8.170 1.00 71.20 H new ATOM 0 HE ARG A 89 1.008 15.897 9.779 1.00 72.43 H new ATOM 0 HH11 ARG A 89 3.628 18.246 10.223 1.00 23.50 H new ATOM 0 HH12 ARG A 89 3.256 18.522 11.928 1.00 23.50 H new ATOM 0 HH21 ARG A 89 0.516 16.275 11.967 1.00 44.11 H new ATOM 0 HH22 ARG A 89 1.491 17.403 12.915 1.00 44.11 H new ATOM 1327 N LEU A 90 3.149 13.920 4.553 1.00 43.31 N ATOM 1328 CA LEU A 90 3.971 14.281 3.415 1.00 64.11 C ATOM 1329 C LEU A 90 3.418 15.556 2.848 1.00 0.13 C ATOM 1330 O LEU A 90 2.221 15.660 2.759 1.00 70.13 O ATOM 1331 CB LEU A 90 4.001 13.168 2.321 1.00 32.25 C ATOM 1332 CG LEU A 90 2.701 12.823 1.548 1.00 62.42 C ATOM 1333 CD1 LEU A 90 3.025 11.890 0.401 1.00 14.04 C ATOM 1334 CD2 LEU A 90 1.662 12.162 2.438 1.00 42.55 C ATOM 0 H LEU A 90 2.152 13.878 4.341 1.00 43.31 H new ATOM 0 HA LEU A 90 5.002 14.408 3.745 1.00 64.11 H new ATOM 0 HB2 LEU A 90 4.753 13.453 1.585 1.00 32.25 H new ATOM 0 HB3 LEU A 90 4.352 12.252 2.796 1.00 32.25 H new ATOM 0 HG LEU A 90 2.285 13.760 1.179 1.00 62.42 H new ATOM 0 HD11 LEU A 90 2.111 11.649 -0.141 1.00 14.04 H new ATOM 0 HD12 LEU A 90 3.730 12.375 -0.274 1.00 14.04 H new ATOM 0 HD13 LEU A 90 3.468 10.974 0.791 1.00 14.04 H new ATOM 0 HD21 LEU A 90 0.770 11.939 1.852 1.00 42.55 H new ATOM 0 HD22 LEU A 90 2.068 11.237 2.846 1.00 42.55 H new ATOM 0 HD23 LEU A 90 1.401 12.835 3.255 1.00 42.55 H new ATOM 1346 N GLY A 91 4.305 16.483 2.447 1.00 44.34 N ATOM 1347 CA GLY A 91 3.958 17.858 1.972 1.00 43.15 C ATOM 1348 C GLY A 91 2.478 18.254 2.059 1.00 44.30 C ATOM 1349 O GLY A 91 1.688 17.998 1.122 1.00 34.32 O ATOM 0 H GLY A 91 5.309 16.305 2.439 1.00 44.34 H new ATOM 0 HA2 GLY A 91 4.539 18.576 2.550 1.00 43.15 H new ATOM 0 HA3 GLY A 91 4.277 17.952 0.934 1.00 43.15 H new ATOM 1353 N HIS A 92 2.103 18.800 3.239 1.00 24.31 N ATOM 1354 CA HIS A 92 0.744 19.334 3.550 1.00 43.23 C ATOM 1355 C HIS A 92 -0.311 18.211 3.800 1.00 32.51 C ATOM 1356 O HIS A 92 -1.336 18.439 4.461 1.00 13.45 O ATOM 1357 CB HIS A 92 0.292 20.326 2.433 1.00 0.44 C ATOM 1358 CG HIS A 92 -1.007 21.078 2.648 1.00 73.21 C ATOM 1359 ND1 HIS A 92 -1.074 22.419 2.961 1.00 24.51 N ATOM 1360 CD2 HIS A 92 -2.290 20.674 2.513 1.00 52.42 C ATOM 1361 CE1 HIS A 92 -2.353 22.779 2.999 1.00 54.43 C ATOM 1362 NE2 HIS A 92 -3.137 21.755 2.736 1.00 74.12 N ATOM 0 H HIS A 92 2.748 18.886 4.024 1.00 24.31 H new ATOM 0 HA HIS A 92 0.812 19.878 4.492 1.00 43.23 H new ATOM 0 HB2 HIS A 92 1.086 21.060 2.293 1.00 0.44 H new ATOM 0 HB3 HIS A 92 0.207 19.767 1.501 1.00 0.44 H new ATOM 0 HD2 HIS A 92 -2.607 19.671 2.270 1.00 52.42 H new ATOM 0 HE1 HIS A 92 -2.702 23.778 3.216 1.00 54.43 H new ATOM 0 HE2 HIS A 92 -4.156 21.754 2.703 1.00 74.12 H new ATOM 1370 N SER A 93 -0.029 17.024 3.340 1.00 72.30 N ATOM 1371 CA SER A 93 -0.955 15.918 3.405 1.00 64.05 C ATOM 1372 C SER A 93 -0.674 15.031 4.625 1.00 11.11 C ATOM 1373 O SER A 93 0.471 14.660 4.875 1.00 72.11 O ATOM 1374 CB SER A 93 -0.795 15.084 2.139 1.00 3.42 C ATOM 1375 OG SER A 93 -0.788 15.914 0.994 1.00 12.31 O ATOM 0 H SER A 93 0.862 16.790 2.902 1.00 72.30 H new ATOM 0 HA SER A 93 -1.968 16.310 3.493 1.00 64.05 H new ATOM 0 HB2 SER A 93 0.133 14.514 2.187 1.00 3.42 H new ATOM 0 HB3 SER A 93 -1.609 14.363 2.067 1.00 3.42 H new ATOM 0 HG SER A 93 -1.627 15.799 0.501 1.00 12.31 H new ATOM 1381 N GLU A 94 -1.694 14.691 5.369 1.00 61.05 N ATOM 1382 CA GLU A 94 -1.525 13.798 6.493 1.00 20.45 C ATOM 1383 C GLU A 94 -2.480 12.618 6.381 1.00 24.12 C ATOM 1384 O GLU A 94 -3.716 12.768 6.369 1.00 3.13 O ATOM 1385 CB GLU A 94 -1.606 14.541 7.823 1.00 1.24 C ATOM 1386 CG GLU A 94 -2.887 15.293 8.061 1.00 51.21 C ATOM 1387 CD GLU A 94 -2.774 16.231 9.218 1.00 31.01 C ATOM 1388 OE1 GLU A 94 -2.618 15.775 10.366 1.00 41.10 O ATOM 1389 OE2 GLU A 94 -2.812 17.461 8.994 1.00 64.12 O ATOM 0 H GLU A 94 -2.649 15.016 5.220 1.00 61.05 H new ATOM 0 HA GLU A 94 -0.518 13.382 6.467 1.00 20.45 H new ATOM 0 HB2 GLU A 94 -1.470 13.822 8.631 1.00 1.24 H new ATOM 0 HB3 GLU A 94 -0.775 15.244 7.879 1.00 1.24 H new ATOM 0 HG2 GLU A 94 -3.152 15.853 7.164 1.00 51.21 H new ATOM 0 HG3 GLU A 94 -3.695 14.585 8.245 1.00 51.21 H new ATOM 1396 N ILE A 95 -1.899 11.463 6.277 1.00 43.35 N ATOM 1397 CA ILE A 95 -2.588 10.247 5.967 1.00 4.34 C ATOM 1398 C ILE A 95 -2.283 9.143 6.982 1.00 11.41 C ATOM 1399 O ILE A 95 -1.170 9.027 7.470 1.00 1.22 O ATOM 1400 CB ILE A 95 -2.261 9.838 4.462 1.00 13.54 C ATOM 1401 CG1 ILE A 95 -2.624 8.387 4.073 1.00 13.31 C ATOM 1402 CG2 ILE A 95 -0.818 10.149 4.085 1.00 40.23 C ATOM 1403 CD1 ILE A 95 -1.601 7.316 4.476 1.00 62.32 C ATOM 0 H ILE A 95 -0.896 11.336 6.410 1.00 43.35 H new ATOM 0 HA ILE A 95 -3.664 10.403 6.046 1.00 4.34 H new ATOM 0 HB ILE A 95 -2.929 10.468 3.875 1.00 13.54 H new ATOM 0 HG12 ILE A 95 -3.583 8.137 4.527 1.00 13.31 H new ATOM 0 HG13 ILE A 95 -2.762 8.343 2.993 1.00 13.31 H new ATOM 0 HG21 ILE A 95 -0.640 9.854 3.051 1.00 40.23 H new ATOM 0 HG22 ILE A 95 -0.636 11.218 4.193 1.00 40.23 H new ATOM 0 HG23 ILE A 95 -0.144 9.598 4.741 1.00 40.23 H new ATOM 0 HD11 ILE A 95 -1.955 6.336 4.155 1.00 62.32 H new ATOM 0 HD12 ILE A 95 -0.644 7.530 4.000 1.00 62.32 H new ATOM 0 HD13 ILE A 95 -1.477 7.320 5.559 1.00 62.32 H new ATOM 1415 N ILE A 96 -3.290 8.374 7.305 1.00 32.31 N ATOM 1416 CA ILE A 96 -3.172 7.248 8.206 1.00 74.20 C ATOM 1417 C ILE A 96 -3.255 5.961 7.374 1.00 54.34 C ATOM 1418 O ILE A 96 -4.103 5.849 6.480 1.00 60.42 O ATOM 1419 CB ILE A 96 -4.299 7.236 9.323 1.00 63.21 C ATOM 1420 CG1 ILE A 96 -4.190 8.434 10.307 1.00 21.12 C ATOM 1421 CG2 ILE A 96 -4.300 5.924 10.108 1.00 31.33 C ATOM 1422 CD1 ILE A 96 -4.559 9.792 9.736 1.00 61.21 C ATOM 0 H ILE A 96 -4.234 8.512 6.945 1.00 32.31 H new ATOM 0 HA ILE A 96 -2.217 7.325 8.726 1.00 74.20 H new ATOM 0 HB ILE A 96 -5.243 7.333 8.787 1.00 63.21 H new ATOM 0 HG12 ILE A 96 -4.832 8.235 11.165 1.00 21.12 H new ATOM 0 HG13 ILE A 96 -3.167 8.483 10.679 1.00 21.12 H new ATOM 0 HG21 ILE A 96 -5.085 5.953 10.864 1.00 31.33 H new ATOM 0 HG22 ILE A 96 -4.482 5.093 9.427 1.00 31.33 H new ATOM 0 HG23 ILE A 96 -3.333 5.790 10.594 1.00 31.33 H new ATOM 0 HD11 ILE A 96 -4.447 10.554 10.508 1.00 61.21 H new ATOM 0 HD12 ILE A 96 -3.902 10.025 8.898 1.00 61.21 H new ATOM 0 HD13 ILE A 96 -5.593 9.773 9.392 1.00 61.21 H new ATOM 1434 N VAL A 97 -2.360 5.036 7.621 1.00 51.03 N ATOM 1435 CA VAL A 97 -2.352 3.772 6.915 1.00 23.40 C ATOM 1436 C VAL A 97 -3.211 2.747 7.633 1.00 54.41 C ATOM 1437 O VAL A 97 -3.026 2.490 8.820 1.00 0.50 O ATOM 1438 CB VAL A 97 -0.908 3.232 6.724 1.00 71.53 C ATOM 1439 CG1 VAL A 97 -0.919 1.805 6.196 1.00 22.42 C ATOM 1440 CG2 VAL A 97 -0.171 4.115 5.750 1.00 5.44 C ATOM 0 H VAL A 97 -1.618 5.134 8.314 1.00 51.03 H new ATOM 0 HA VAL A 97 -2.775 3.949 5.926 1.00 23.40 H new ATOM 0 HB VAL A 97 -0.409 3.237 7.693 1.00 71.53 H new ATOM 0 HG11 VAL A 97 0.106 1.455 6.073 1.00 22.42 H new ATOM 0 HG12 VAL A 97 -1.440 1.160 6.903 1.00 22.42 H new ATOM 0 HG13 VAL A 97 -1.430 1.777 5.234 1.00 22.42 H new ATOM 0 HG21 VAL A 97 0.843 3.739 5.613 1.00 5.44 H new ATOM 0 HG22 VAL A 97 -0.691 4.113 4.792 1.00 5.44 H new ATOM 0 HG23 VAL A 97 -0.131 5.132 6.139 1.00 5.44 H new ATOM 1450 N ARG A 98 -4.150 2.198 6.920 1.00 2.41 N ATOM 1451 CA ARG A 98 -5.034 1.196 7.444 1.00 74.33 C ATOM 1452 C ARG A 98 -4.905 -0.093 6.681 1.00 64.35 C ATOM 1453 O ARG A 98 -4.910 -0.106 5.450 1.00 2.11 O ATOM 1454 CB ARG A 98 -6.474 1.700 7.402 1.00 53.13 C ATOM 1455 CG ARG A 98 -6.797 2.677 8.505 1.00 73.41 C ATOM 1456 CD ARG A 98 -6.939 1.944 9.831 1.00 61.13 C ATOM 1457 NE ARG A 98 -8.152 1.106 9.839 1.00 34.44 N ATOM 1458 CZ ARG A 98 -8.225 -0.203 10.138 1.00 12.35 C ATOM 1459 NH1 ARG A 98 -7.136 -0.921 10.376 1.00 3.35 N ATOM 1460 NH2 ARG A 98 -9.407 -0.795 10.160 1.00 35.15 N ATOM 0 H ARG A 98 -4.327 2.436 5.944 1.00 2.41 H new ATOM 0 HA ARG A 98 -4.756 0.999 8.479 1.00 74.33 H new ATOM 0 HB2 ARG A 98 -6.657 2.177 6.439 1.00 53.13 H new ATOM 0 HB3 ARG A 98 -7.152 0.849 7.470 1.00 53.13 H new ATOM 0 HG2 ARG A 98 -6.010 3.427 8.578 1.00 73.41 H new ATOM 0 HG3 ARG A 98 -7.721 3.206 8.273 1.00 73.41 H new ATOM 0 HD2 ARG A 98 -6.061 1.322 10.004 1.00 61.13 H new ATOM 0 HD3 ARG A 98 -6.984 2.665 10.647 1.00 61.13 H new ATOM 0 HE ARG A 98 -9.027 1.567 9.592 1.00 34.44 H new ATOM 0 HH11 ARG A 98 -6.216 -0.482 10.334 1.00 3.35 H new ATOM 0 HH12 ARG A 98 -7.218 -1.913 10.601 1.00 3.35 H new ATOM 0 HH21 ARG A 98 -10.250 -0.259 9.952 1.00 35.15 H new ATOM 0 HH22 ARG A 98 -9.476 -1.787 10.385 1.00 35.15 H new ATOM 1474 N MET A 99 -4.749 -1.162 7.395 1.00 42.34 N ATOM 1475 CA MET A 99 -4.712 -2.460 6.796 1.00 13.33 C ATOM 1476 C MET A 99 -5.990 -3.163 7.086 1.00 20.44 C ATOM 1477 O MET A 99 -6.293 -3.486 8.234 1.00 43.52 O ATOM 1478 CB MET A 99 -3.537 -3.309 7.265 1.00 23.55 C ATOM 1479 CG MET A 99 -2.179 -2.804 6.833 1.00 44.31 C ATOM 1480 SD MET A 99 -0.860 -3.941 7.292 1.00 33.25 S ATOM 1481 CE MET A 99 0.554 -3.135 6.554 1.00 31.54 C ATOM 0 H MET A 99 -4.644 -1.161 8.410 1.00 42.34 H new ATOM 0 HA MET A 99 -4.579 -2.318 5.724 1.00 13.33 H new ATOM 0 HB2 MET A 99 -3.559 -3.365 8.353 1.00 23.55 H new ATOM 0 HB3 MET A 99 -3.668 -4.324 6.890 1.00 23.55 H new ATOM 0 HG2 MET A 99 -2.173 -2.659 5.753 1.00 44.31 H new ATOM 0 HG3 MET A 99 -1.993 -1.831 7.287 1.00 44.31 H new ATOM 0 HE1 MET A 99 1.459 -3.692 6.797 1.00 31.54 H new ATOM 0 HE2 MET A 99 0.429 -3.100 5.472 1.00 31.54 H new ATOM 0 HE3 MET A 99 0.638 -2.120 6.942 1.00 31.54 H new ATOM 1491 N HIS A 100 -6.740 -3.360 6.072 1.00 34.03 N ATOM 1492 CA HIS A 100 -7.996 -4.037 6.163 1.00 5.14 C ATOM 1493 C HIS A 100 -7.780 -5.477 5.817 1.00 50.35 C ATOM 1494 O HIS A 100 -7.957 -6.343 6.689 1.00 51.24 O ATOM 1495 CB HIS A 100 -9.045 -3.402 5.239 1.00 51.42 C ATOM 1496 CG HIS A 100 -9.478 -2.025 5.649 1.00 34.34 C ATOM 1497 ND1 HIS A 100 -10.658 -1.761 6.302 1.00 75.13 N ATOM 1498 CD2 HIS A 100 -8.873 -0.824 5.475 1.00 42.11 C ATOM 1499 CE1 HIS A 100 -10.738 -0.445 6.502 1.00 34.30 C ATOM 1500 NE2 HIS A 100 -9.677 0.173 6.018 1.00 45.43 N ATOM 1501 OXT HIS A 100 -7.337 -5.749 4.688 1.00 38.05 O ATOM 0 H HIS A 100 -6.503 -3.052 5.129 1.00 34.03 H new ATOM 0 HA HIS A 100 -8.381 -3.952 7.179 1.00 5.14 H new ATOM 0 HB2 HIS A 100 -8.641 -3.357 4.228 1.00 51.42 H new ATOM 0 HB3 HIS A 100 -9.921 -4.050 5.204 1.00 51.42 H new ATOM 0 HD2 HIS A 100 -7.920 -0.667 4.992 1.00 42.11 H new ATOM 0 HE1 HIS A 100 -11.562 0.050 6.995 1.00 34.30 H new ATOM 0 HE2 HIS A 100 -9.486 1.175 6.038 1.00 45.43 H new