USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=17 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 46 SER OG : rot -150:sc= 0.479 USER MOD Set 1.2: A 65 ASN : amide:sc= 1.5 K(o=2,f=-4.4!) USER MOD Set 2.1: A 21 TYR OH : rot 180:sc= 1.03 USER MOD Set 2.2: A 28 ASN : amide:sc= 0.984 K(o=2,f=-3.7!) USER MOD Set 3.1: A 10 THR OG1 : rot 177:sc=0.000593 USER MOD Set 3.2: A 100 HIS : no HD1:sc=-0.000718 X(o=-0.00013,f=-0.37) USER MOD Single : A 7 THR OG1 : rot 35:sc= 0.21 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 17 SER OG : rot -68:sc= 1.25 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.8!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.148 K(o=-0.15,f=-0.82) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.0135 USER MOD Single : A 49 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-2.5) USER MOD Single : A 57 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.3) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.195 K(o=0.2,f=-3.5!) USER MOD Single : A 70 THR OG1 : rot 91:sc= 0.816 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 73 ASN :FLIP amide:sc= -0.0314 F(o=-1.5!,f=-0.031) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.427! X(o=-0.43!,f=-0.058) USER MOD Single : A 81 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.7!) USER MOD Single : A 92 HIS : no HE2:sc= 0.846 K(o=0.85,f=-2.8!) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 99 MET CE :methyl 165:sc= -0.0904 (180deg=-0.416) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -4.245 -8.549 1.937 1.00 44.41 N ATOM 63 CA THR A 7 -4.033 -7.367 2.728 1.00 10.13 C ATOM 64 C THR A 7 -4.317 -6.129 1.875 1.00 62.32 C ATOM 65 O THR A 7 -3.659 -5.892 0.857 1.00 70.34 O ATOM 66 CB THR A 7 -2.573 -7.336 3.207 1.00 22.23 C ATOM 67 OG1 THR A 7 -2.258 -8.589 3.852 1.00 73.14 O ATOM 68 CG2 THR A 7 -2.332 -6.182 4.168 1.00 31.14 C ATOM 0 HA THR A 7 -4.701 -7.375 3.589 1.00 10.13 H new ATOM 0 HB THR A 7 -1.926 -7.190 2.342 1.00 22.23 H new ATOM 0 HG1 THR A 7 -2.730 -9.318 3.398 1.00 73.14 H new ATOM 0 HG21 THR A 7 -1.290 -6.187 4.489 1.00 31.14 H new ATOM 0 HG22 THR A 7 -2.553 -5.239 3.667 1.00 31.14 H new ATOM 0 HG23 THR A 7 -2.980 -6.291 5.038 1.00 31.14 H new ATOM 76 N SER A 8 -5.305 -5.389 2.251 1.00 74.52 N ATOM 77 CA SER A 8 -5.657 -4.212 1.526 1.00 30.01 C ATOM 78 C SER A 8 -5.139 -2.998 2.283 1.00 34.40 C ATOM 79 O SER A 8 -5.530 -2.759 3.417 1.00 3.35 O ATOM 80 CB SER A 8 -7.165 -4.172 1.382 1.00 24.53 C ATOM 81 OG SER A 8 -7.647 -5.435 0.908 1.00 71.13 O ATOM 0 H SER A 8 -5.889 -5.580 3.065 1.00 74.52 H new ATOM 0 HA SER A 8 -5.211 -4.211 0.531 1.00 30.01 H new ATOM 0 HB2 SER A 8 -7.624 -3.936 2.342 1.00 24.53 H new ATOM 0 HB3 SER A 8 -7.451 -3.381 0.689 1.00 24.53 H new ATOM 0 HG SER A 8 -8.622 -5.401 0.820 1.00 71.13 H new ATOM 87 N VAL A 9 -4.221 -2.281 1.695 1.00 34.43 N ATOM 88 CA VAL A 9 -3.662 -1.124 2.357 1.00 23.24 C ATOM 89 C VAL A 9 -4.349 0.120 1.846 1.00 63.53 C ATOM 90 O VAL A 9 -4.175 0.513 0.682 1.00 63.24 O ATOM 91 CB VAL A 9 -2.134 -1.005 2.153 1.00 65.11 C ATOM 92 CG1 VAL A 9 -1.573 0.159 2.962 1.00 12.22 C ATOM 93 CG2 VAL A 9 -1.436 -2.299 2.532 1.00 54.12 C ATOM 0 H VAL A 9 -3.844 -2.471 0.767 1.00 34.43 H new ATOM 0 HA VAL A 9 -3.831 -1.240 3.428 1.00 23.24 H new ATOM 0 HB VAL A 9 -1.948 -0.813 1.096 1.00 65.11 H new ATOM 0 HG11 VAL A 9 -0.496 0.226 2.805 1.00 12.22 H new ATOM 0 HG12 VAL A 9 -2.045 1.087 2.640 1.00 12.22 H new ATOM 0 HG13 VAL A 9 -1.776 -0.003 4.021 1.00 12.22 H new ATOM 0 HG21 VAL A 9 -0.362 -2.191 2.380 1.00 54.12 H new ATOM 0 HG22 VAL A 9 -1.633 -2.525 3.580 1.00 54.12 H new ATOM 0 HG23 VAL A 9 -1.811 -3.111 1.909 1.00 54.12 H new ATOM 103 N THR A 10 -5.121 0.710 2.695 1.00 5.23 N ATOM 104 CA THR A 10 -5.892 1.856 2.369 1.00 30.44 C ATOM 105 C THR A 10 -5.254 3.067 3.015 1.00 41.40 C ATOM 106 O THR A 10 -4.974 3.072 4.221 1.00 43.51 O ATOM 107 CB THR A 10 -7.335 1.700 2.890 1.00 24.31 C ATOM 108 OG1 THR A 10 -7.836 0.402 2.530 1.00 55.43 O ATOM 109 CG2 THR A 10 -8.238 2.759 2.286 1.00 72.52 C ATOM 0 H THR A 10 -5.234 0.398 3.660 1.00 5.23 H new ATOM 0 HA THR A 10 -5.924 1.974 1.286 1.00 30.44 H new ATOM 0 HB THR A 10 -7.326 1.814 3.974 1.00 24.31 H new ATOM 0 HG1 THR A 10 -8.734 0.283 2.903 1.00 55.43 H new ATOM 0 HG21 THR A 10 -9.252 2.632 2.666 1.00 72.52 H new ATOM 0 HG22 THR A 10 -7.870 3.749 2.557 1.00 72.52 H new ATOM 0 HG23 THR A 10 -8.242 2.658 1.201 1.00 72.52 H new ATOM 117 N LEU A 11 -4.984 4.045 2.227 1.00 61.12 N ATOM 118 CA LEU A 11 -4.422 5.263 2.694 1.00 1.42 C ATOM 119 C LEU A 11 -5.544 6.206 2.977 1.00 11.43 C ATOM 120 O LEU A 11 -6.302 6.568 2.069 1.00 4.24 O ATOM 121 CB LEU A 11 -3.533 5.877 1.625 1.00 20.35 C ATOM 122 CG LEU A 11 -2.494 4.962 1.025 1.00 12.33 C ATOM 123 CD1 LEU A 11 -1.751 5.677 -0.090 1.00 31.31 C ATOM 124 CD2 LEU A 11 -1.519 4.440 2.072 1.00 4.44 C ATOM 0 H LEU A 11 -5.150 4.022 1.221 1.00 61.12 H new ATOM 0 HA LEU A 11 -3.826 5.074 3.587 1.00 1.42 H new ATOM 0 HB2 LEU A 11 -4.169 6.249 0.821 1.00 20.35 H new ATOM 0 HB3 LEU A 11 -3.024 6.740 2.055 1.00 20.35 H new ATOM 0 HG LEU A 11 -3.013 4.097 0.612 1.00 12.33 H new ATOM 0 HD11 LEU A 11 -1.003 5.008 -0.516 1.00 31.31 H new ATOM 0 HD12 LEU A 11 -2.457 5.974 -0.866 1.00 31.31 H new ATOM 0 HD13 LEU A 11 -1.259 6.563 0.311 1.00 31.31 H new ATOM 0 HD21 LEU A 11 -0.789 3.786 1.595 1.00 4.44 H new ATOM 0 HD22 LEU A 11 -1.004 5.279 2.539 1.00 4.44 H new ATOM 0 HD23 LEU A 11 -2.066 3.881 2.832 1.00 4.44 H new ATOM 136 N GLN A 12 -5.694 6.546 4.198 1.00 33.34 N ATOM 137 CA GLN A 12 -6.683 7.511 4.578 1.00 74.42 C ATOM 138 C GLN A 12 -6.041 8.864 4.580 1.00 54.21 C ATOM 139 O GLN A 12 -5.180 9.145 5.391 1.00 20.21 O ATOM 140 CB GLN A 12 -7.313 7.209 5.928 1.00 63.24 C ATOM 141 CG GLN A 12 -8.345 8.248 6.308 1.00 41.33 C ATOM 142 CD GLN A 12 -9.151 7.903 7.519 1.00 14.53 C ATOM 143 OE1 GLN A 12 -8.699 7.206 8.431 1.00 21.34 O ATOM 144 NE2 GLN A 12 -10.352 8.380 7.529 1.00 50.15 N ATOM 0 H GLN A 12 -5.143 6.172 4.971 1.00 33.34 H new ATOM 0 HA GLN A 12 -7.498 7.475 3.855 1.00 74.42 H new ATOM 0 HB2 GLN A 12 -7.781 6.225 5.900 1.00 63.24 H new ATOM 0 HB3 GLN A 12 -6.536 7.171 6.692 1.00 63.24 H new ATOM 0 HG2 GLN A 12 -7.840 9.198 6.481 1.00 41.33 H new ATOM 0 HG3 GLN A 12 -9.021 8.396 5.466 1.00 41.33 H new ATOM 0 HE21 GLN A 12 -10.680 8.952 6.751 1.00 50.15 H new ATOM 0 HE22 GLN A 12 -10.972 8.185 8.315 1.00 50.15 H new ATOM 153 N LEU A 13 -6.476 9.687 3.709 1.00 22.34 N ATOM 154 CA LEU A 13 -5.841 10.938 3.466 1.00 62.43 C ATOM 155 C LEU A 13 -6.733 12.061 3.884 1.00 25.13 C ATOM 156 O LEU A 13 -7.915 12.098 3.503 1.00 11.44 O ATOM 157 CB LEU A 13 -5.528 11.059 1.971 1.00 73.02 C ATOM 158 CG LEU A 13 -5.003 12.413 1.500 1.00 54.13 C ATOM 159 CD1 LEU A 13 -3.638 12.722 2.088 1.00 41.11 C ATOM 160 CD2 LEU A 13 -4.984 12.495 -0.015 1.00 63.25 C ATOM 0 H LEU A 13 -7.298 9.516 3.129 1.00 22.34 H new ATOM 0 HA LEU A 13 -4.918 10.991 4.044 1.00 62.43 H new ATOM 0 HB2 LEU A 13 -4.792 10.297 1.712 1.00 73.02 H new ATOM 0 HB3 LEU A 13 -6.435 10.830 1.411 1.00 73.02 H new ATOM 0 HG LEU A 13 -5.691 13.175 1.866 1.00 54.13 H new ATOM 0 HD11 LEU A 13 -3.299 13.694 1.729 1.00 41.11 H new ATOM 0 HD12 LEU A 13 -3.706 12.741 3.176 1.00 41.11 H new ATOM 0 HD13 LEU A 13 -2.928 11.954 1.782 1.00 41.11 H new ATOM 0 HD21 LEU A 13 -4.606 13.470 -0.322 1.00 63.25 H new ATOM 0 HD22 LEU A 13 -4.338 11.713 -0.414 1.00 63.25 H new ATOM 0 HD23 LEU A 13 -5.995 12.361 -0.399 1.00 63.25 H new ATOM 172 N ASP A 14 -6.203 12.982 4.642 1.00 33.31 N ATOM 173 CA ASP A 14 -6.972 14.116 4.991 1.00 20.53 C ATOM 174 C ASP A 14 -6.776 15.146 3.943 1.00 32.14 C ATOM 175 O ASP A 14 -5.748 15.807 3.867 1.00 54.31 O ATOM 176 CB ASP A 14 -6.636 14.686 6.365 1.00 3.22 C ATOM 177 CG ASP A 14 -7.426 15.957 6.636 1.00 63.33 C ATOM 178 OD1 ASP A 14 -8.661 15.878 6.819 1.00 23.25 O ATOM 179 OD2 ASP A 14 -6.835 17.058 6.632 1.00 43.42 O ATOM 0 H ASP A 14 -5.255 12.960 5.019 1.00 33.31 H new ATOM 0 HA ASP A 14 -8.015 13.806 5.052 1.00 20.53 H new ATOM 0 HB2 ASP A 14 -6.857 13.945 7.134 1.00 3.22 H new ATOM 0 HB3 ASP A 14 -5.568 14.898 6.424 1.00 3.22 H new ATOM 184 N ASP A 15 -7.726 15.208 3.086 1.00 71.31 N ATOM 185 CA ASP A 15 -7.776 16.197 2.044 1.00 15.43 C ATOM 186 C ASP A 15 -8.558 17.385 2.563 1.00 31.10 C ATOM 187 O ASP A 15 -8.552 18.469 1.980 1.00 13.30 O ATOM 188 CB ASP A 15 -8.526 15.618 0.840 1.00 32.01 C ATOM 189 CG ASP A 15 -9.946 15.230 1.220 1.00 33.33 C ATOM 190 OD1 ASP A 15 -10.132 14.183 1.824 1.00 74.42 O ATOM 191 OD2 ASP A 15 -10.893 16.004 0.976 1.00 1.14 O ATOM 0 H ASP A 15 -8.516 14.562 3.079 1.00 71.31 H new ATOM 0 HA ASP A 15 -6.767 16.489 1.751 1.00 15.43 H new ATOM 0 HB2 ASP A 15 -8.549 16.351 0.034 1.00 32.01 H new ATOM 0 HB3 ASP A 15 -7.995 14.744 0.462 1.00 32.01 H new ATOM 196 N GLY A 16 -9.223 17.158 3.661 1.00 74.14 N ATOM 197 CA GLY A 16 -10.121 18.099 4.229 1.00 53.31 C ATOM 198 C GLY A 16 -11.351 17.372 4.667 1.00 43.22 C ATOM 199 O GLY A 16 -11.928 17.671 5.708 1.00 60.55 O ATOM 0 H GLY A 16 -9.147 16.290 4.191 1.00 74.14 H new ATOM 0 HA2 GLY A 16 -9.656 18.603 5.076 1.00 53.31 H new ATOM 0 HA3 GLY A 16 -10.375 18.869 3.500 1.00 53.31 H new ATOM 203 N SER A 17 -11.747 16.397 3.869 1.00 53.13 N ATOM 204 CA SER A 17 -12.864 15.560 4.210 1.00 5.30 C ATOM 205 C SER A 17 -12.367 14.222 4.773 1.00 22.25 C ATOM 206 O SER A 17 -12.716 13.826 5.893 1.00 22.31 O ATOM 207 CB SER A 17 -13.805 15.365 2.988 1.00 3.15 C ATOM 208 OG SER A 17 -13.127 14.830 1.836 1.00 54.11 O ATOM 0 H SER A 17 -11.304 16.171 2.978 1.00 53.13 H new ATOM 0 HA SER A 17 -13.451 16.051 4.986 1.00 5.30 H new ATOM 0 HB2 SER A 17 -14.619 14.696 3.267 1.00 3.15 H new ATOM 0 HB3 SER A 17 -14.254 16.323 2.726 1.00 3.15 H new ATOM 0 HG SER A 17 -12.493 15.493 1.492 1.00 54.11 H new ATOM 214 N GLY A 18 -11.505 13.572 4.026 1.00 61.14 N ATOM 215 CA GLY A 18 -11.004 12.293 4.399 1.00 3.41 C ATOM 216 C GLY A 18 -11.292 11.313 3.302 1.00 55.44 C ATOM 217 O GLY A 18 -12.367 10.726 3.253 1.00 3.03 O ATOM 0 H GLY A 18 -11.138 13.926 3.143 1.00 61.14 H new ATOM 0 HA2 GLY A 18 -9.931 12.348 4.581 1.00 3.41 H new ATOM 0 HA3 GLY A 18 -11.469 11.964 5.328 1.00 3.41 H new ATOM 221 N ARG A 19 -10.388 11.200 2.370 1.00 33.13 N ATOM 222 CA ARG A 19 -10.549 10.280 1.258 1.00 15.02 C ATOM 223 C ARG A 19 -9.683 9.078 1.481 1.00 53.33 C ATOM 224 O ARG A 19 -8.811 9.095 2.348 1.00 51.33 O ATOM 225 CB ARG A 19 -10.168 10.918 -0.078 1.00 63.14 C ATOM 226 CG ARG A 19 -10.977 12.153 -0.514 1.00 54.40 C ATOM 227 CD ARG A 19 -12.473 11.882 -0.706 1.00 54.13 C ATOM 228 NE ARG A 19 -13.196 11.659 0.558 1.00 71.51 N ATOM 229 CZ ARG A 19 -14.521 11.480 0.666 1.00 24.22 C ATOM 230 NH1 ARG A 19 -15.297 11.530 -0.412 1.00 62.25 N ATOM 231 NH2 ARG A 19 -15.067 11.263 1.857 1.00 22.01 N ATOM 0 H ARG A 19 -9.520 11.736 2.351 1.00 33.13 H new ATOM 0 HA ARG A 19 -11.602 10.001 1.212 1.00 15.02 H new ATOM 0 HB2 ARG A 19 -9.116 11.200 -0.032 1.00 63.14 H new ATOM 0 HB3 ARG A 19 -10.261 10.159 -0.855 1.00 63.14 H new ATOM 0 HG2 ARG A 19 -10.853 12.938 0.232 1.00 54.40 H new ATOM 0 HG3 ARG A 19 -10.564 12.534 -1.448 1.00 54.40 H new ATOM 0 HD2 ARG A 19 -12.923 12.726 -1.229 1.00 54.13 H new ATOM 0 HD3 ARG A 19 -12.597 11.008 -1.345 1.00 54.13 H new ATOM 0 HE ARG A 19 -12.647 11.639 1.417 1.00 71.51 H new ATOM 0 HH11 ARG A 19 -14.886 11.705 -1.329 1.00 62.25 H new ATOM 0 HH12 ARG A 19 -16.304 11.393 -0.322 1.00 62.25 H new ATOM 0 HH21 ARG A 19 -14.479 11.232 2.690 1.00 22.01 H new ATOM 0 HH22 ARG A 19 -16.075 11.127 1.939 1.00 22.01 H new ATOM 245 N THR A 20 -9.902 8.052 0.720 1.00 12.12 N ATOM 246 CA THR A 20 -9.139 6.851 0.847 1.00 65.50 C ATOM 247 C THR A 20 -8.620 6.391 -0.512 1.00 73.40 C ATOM 248 O THR A 20 -9.311 6.511 -1.527 1.00 34.03 O ATOM 249 CB THR A 20 -9.979 5.744 1.530 1.00 61.13 C ATOM 250 OG1 THR A 20 -11.268 5.643 0.895 1.00 12.11 O ATOM 251 CG2 THR A 20 -10.166 6.048 3.005 1.00 75.42 C ATOM 0 H THR A 20 -10.616 8.024 -0.008 1.00 12.12 H new ATOM 0 HA THR A 20 -8.275 7.057 1.479 1.00 65.50 H new ATOM 0 HB THR A 20 -9.447 4.798 1.429 1.00 61.13 H new ATOM 0 HG1 THR A 20 -11.793 4.940 1.331 1.00 12.11 H new ATOM 0 HG21 THR A 20 -10.759 5.258 3.467 1.00 75.42 H new ATOM 0 HG22 THR A 20 -9.192 6.102 3.492 1.00 75.42 H new ATOM 0 HG23 THR A 20 -10.682 7.002 3.117 1.00 75.42 H new ATOM 259 N TYR A 21 -7.399 5.946 -0.539 1.00 65.15 N ATOM 260 CA TYR A 21 -6.789 5.435 -1.742 1.00 74.10 C ATOM 261 C TYR A 21 -6.122 4.135 -1.397 1.00 30.53 C ATOM 262 O TYR A 21 -5.328 4.086 -0.479 1.00 54.44 O ATOM 263 CB TYR A 21 -5.749 6.438 -2.272 1.00 74.21 C ATOM 264 CG TYR A 21 -5.047 6.019 -3.557 1.00 31.13 C ATOM 265 CD1 TYR A 21 -5.619 6.270 -4.794 1.00 5.24 C ATOM 266 CD2 TYR A 21 -3.801 5.396 -3.526 1.00 1.15 C ATOM 267 CE1 TYR A 21 -4.978 5.909 -5.965 1.00 4.32 C ATOM 268 CE2 TYR A 21 -3.151 5.039 -4.691 1.00 1.33 C ATOM 269 CZ TYR A 21 -3.746 5.297 -5.906 1.00 51.31 C ATOM 270 OH TYR A 21 -3.093 4.961 -7.073 1.00 62.51 O ATOM 0 H TYR A 21 -6.788 5.925 0.278 1.00 65.15 H new ATOM 0 HA TYR A 21 -7.540 5.284 -2.517 1.00 74.10 H new ATOM 0 HB2 TYR A 21 -6.243 7.395 -2.441 1.00 74.21 H new ATOM 0 HB3 TYR A 21 -4.996 6.599 -1.501 1.00 74.21 H new ATOM 0 HD1 TYR A 21 -6.582 6.756 -4.844 1.00 5.24 H new ATOM 0 HD2 TYR A 21 -3.335 5.189 -2.574 1.00 1.15 H new ATOM 0 HE1 TYR A 21 -5.441 6.106 -6.921 1.00 4.32 H new ATOM 0 HE2 TYR A 21 -2.183 4.561 -4.650 1.00 1.33 H new ATOM 0 HH TYR A 21 -2.236 4.538 -6.858 1.00 62.51 H new ATOM 280 N GLN A 22 -6.451 3.090 -2.081 1.00 12.22 N ATOM 281 CA GLN A 22 -5.838 1.825 -1.788 1.00 42.21 C ATOM 282 C GLN A 22 -4.621 1.651 -2.673 1.00 15.44 C ATOM 283 O GLN A 22 -4.643 2.047 -3.849 1.00 13.21 O ATOM 284 CB GLN A 22 -6.826 0.675 -1.972 1.00 51.30 C ATOM 285 CG GLN A 22 -6.320 -0.654 -1.430 1.00 63.42 C ATOM 286 CD GLN A 22 -7.304 -1.771 -1.618 1.00 3.42 C ATOM 287 OE1 GLN A 22 -8.161 -1.999 -0.780 1.00 72.34 O ATOM 288 NE2 GLN A 22 -7.165 -2.497 -2.681 1.00 23.55 N ATOM 0 H GLN A 22 -7.133 3.079 -2.840 1.00 12.22 H new ATOM 0 HA GLN A 22 -5.527 1.810 -0.743 1.00 42.21 H new ATOM 0 HB2 GLN A 22 -7.762 0.928 -1.475 1.00 51.30 H new ATOM 0 HB3 GLN A 22 -7.049 0.564 -3.033 1.00 51.30 H new ATOM 0 HG2 GLN A 22 -5.385 -0.912 -1.928 1.00 63.42 H new ATOM 0 HG3 GLN A 22 -6.097 -0.547 -0.368 1.00 63.42 H new ATOM 0 HE21 GLN A 22 -6.436 -2.274 -3.359 1.00 23.55 H new ATOM 0 HE22 GLN A 22 -7.784 -3.292 -2.841 1.00 23.55 H new ATOM 297 N LEU A 23 -3.567 1.113 -2.113 1.00 5.14 N ATOM 298 CA LEU A 23 -2.339 0.885 -2.846 1.00 12.14 C ATOM 299 C LEU A 23 -2.530 -0.132 -3.945 1.00 71.53 C ATOM 300 O LEU A 23 -3.160 -1.179 -3.739 1.00 34.33 O ATOM 301 CB LEU A 23 -1.226 0.419 -1.915 1.00 31.31 C ATOM 302 CG LEU A 23 -0.737 1.429 -0.887 1.00 23.23 C ATOM 303 CD1 LEU A 23 0.324 0.804 -0.011 1.00 10.20 C ATOM 304 CD2 LEU A 23 -0.183 2.666 -1.578 1.00 73.33 C ATOM 0 H LEU A 23 -3.532 0.819 -1.137 1.00 5.14 H new ATOM 0 HA LEU A 23 -2.056 1.837 -3.296 1.00 12.14 H new ATOM 0 HB2 LEU A 23 -1.573 -0.468 -1.385 1.00 31.31 H new ATOM 0 HB3 LEU A 23 -0.376 0.113 -2.525 1.00 31.31 H new ATOM 0 HG LEU A 23 -1.580 1.728 -0.264 1.00 23.23 H new ATOM 0 HD11 LEU A 23 0.668 1.534 0.721 1.00 10.20 H new ATOM 0 HD12 LEU A 23 -0.094 -0.060 0.506 1.00 10.20 H new ATOM 0 HD13 LEU A 23 1.164 0.486 -0.628 1.00 10.20 H new ATOM 0 HD21 LEU A 23 0.162 3.378 -0.828 1.00 73.33 H new ATOM 0 HD22 LEU A 23 0.651 2.382 -2.219 1.00 73.33 H new ATOM 0 HD23 LEU A 23 -0.965 3.126 -2.182 1.00 73.33 H new ATOM 316 N ARG A 24 -2.023 0.188 -5.105 1.00 64.35 N ATOM 317 CA ARG A 24 -2.052 -0.722 -6.217 1.00 61.13 C ATOM 318 C ARG A 24 -0.839 -1.625 -6.074 1.00 53.54 C ATOM 319 O ARG A 24 0.142 -1.228 -5.422 1.00 74.11 O ATOM 320 CB ARG A 24 -1.933 0.043 -7.535 1.00 63.10 C ATOM 321 CG ARG A 24 -2.866 1.238 -7.687 1.00 24.43 C ATOM 322 CD ARG A 24 -2.627 1.909 -9.025 1.00 34.33 C ATOM 323 NE ARG A 24 -3.330 3.186 -9.172 1.00 2.45 N ATOM 324 CZ ARG A 24 -3.914 3.607 -10.303 1.00 70.21 C ATOM 325 NH1 ARG A 24 -4.037 2.782 -11.348 1.00 53.03 N ATOM 326 NH2 ARG A 24 -4.379 4.848 -10.391 1.00 61.13 N ATOM 0 H ARG A 24 -1.579 1.084 -5.305 1.00 64.35 H new ATOM 0 HA ARG A 24 -2.986 -1.284 -6.223 1.00 61.13 H new ATOM 0 HB2 ARG A 24 -0.905 0.391 -7.641 1.00 63.10 H new ATOM 0 HB3 ARG A 24 -2.122 -0.650 -8.355 1.00 63.10 H new ATOM 0 HG2 ARG A 24 -3.904 0.913 -7.613 1.00 24.43 H new ATOM 0 HG3 ARG A 24 -2.697 1.949 -6.878 1.00 24.43 H new ATOM 0 HD2 ARG A 24 -1.557 2.075 -9.153 1.00 34.33 H new ATOM 0 HD3 ARG A 24 -2.943 1.236 -9.822 1.00 34.33 H new ATOM 0 HE ARG A 24 -3.379 3.797 -8.357 1.00 2.45 H new ATOM 0 HH11 ARG A 24 -3.686 1.826 -11.287 1.00 53.03 H new ATOM 0 HH12 ARG A 24 -4.482 3.108 -12.206 1.00 53.03 H new ATOM 0 HH21 ARG A 24 -4.292 5.483 -9.597 1.00 61.13 H new ATOM 0 HH22 ARG A 24 -4.823 5.166 -11.252 1.00 61.13 H new ATOM 340 N GLU A 25 -0.885 -2.801 -6.648 1.00 63.21 N ATOM 341 CA GLU A 25 0.242 -3.701 -6.591 1.00 1.54 C ATOM 342 C GLU A 25 1.307 -3.228 -7.562 1.00 21.43 C ATOM 343 O GLU A 25 1.085 -3.149 -8.781 1.00 65.32 O ATOM 344 CB GLU A 25 -0.141 -5.197 -6.801 1.00 5.11 C ATOM 345 CG GLU A 25 -0.987 -5.525 -8.033 1.00 12.12 C ATOM 346 CD GLU A 25 -2.416 -5.060 -7.911 1.00 1.32 C ATOM 347 OE1 GLU A 25 -3.254 -5.817 -7.408 1.00 33.34 O ATOM 348 OE2 GLU A 25 -2.723 -3.917 -8.309 1.00 72.01 O ATOM 0 H GLU A 25 -1.691 -3.159 -7.161 1.00 63.21 H new ATOM 0 HA GLU A 25 0.645 -3.670 -5.579 1.00 1.54 H new ATOM 0 HB2 GLU A 25 0.779 -5.779 -6.856 1.00 5.11 H new ATOM 0 HB3 GLU A 25 -0.681 -5.537 -5.917 1.00 5.11 H new ATOM 0 HG2 GLU A 25 -0.535 -5.063 -8.910 1.00 12.12 H new ATOM 0 HG3 GLU A 25 -0.975 -6.602 -8.198 1.00 12.12 H new ATOM 355 N GLY A 26 2.421 -2.877 -7.017 1.00 25.01 N ATOM 356 CA GLY A 26 3.485 -2.270 -7.751 1.00 55.15 C ATOM 357 C GLY A 26 3.894 -1.055 -6.991 1.00 43.45 C ATOM 358 O GLY A 26 3.566 -0.954 -5.804 1.00 70.24 O ATOM 0 H GLY A 26 2.625 -3.006 -6.026 1.00 25.01 H new ATOM 0 HA2 GLY A 26 4.323 -2.959 -7.858 1.00 55.15 H new ATOM 0 HA3 GLY A 26 3.159 -2.005 -8.757 1.00 55.15 H new ATOM 362 N SER A 27 4.570 -0.134 -7.586 1.00 55.34 N ATOM 363 CA SER A 27 4.923 1.023 -6.837 1.00 5.55 C ATOM 364 C SER A 27 4.081 2.230 -7.222 1.00 72.11 C ATOM 365 O SER A 27 3.893 2.546 -8.394 1.00 2.30 O ATOM 366 CB SER A 27 6.427 1.279 -6.850 1.00 42.34 C ATOM 367 OG SER A 27 6.938 1.343 -8.177 1.00 61.20 O ATOM 0 H SER A 27 4.882 -0.154 -8.557 1.00 55.34 H new ATOM 0 HA SER A 27 4.679 0.827 -5.793 1.00 5.55 H new ATOM 0 HB2 SER A 27 6.642 2.214 -6.332 1.00 42.34 H new ATOM 0 HB3 SER A 27 6.936 0.486 -6.302 1.00 42.34 H new ATOM 0 HG SER A 27 7.903 1.510 -8.148 1.00 61.20 H new ATOM 373 N ASN A 28 3.569 2.872 -6.221 1.00 40.45 N ATOM 374 CA ASN A 28 2.676 3.981 -6.358 1.00 31.52 C ATOM 375 C ASN A 28 3.464 5.232 -6.080 1.00 52.15 C ATOM 376 O ASN A 28 3.916 5.445 -4.956 1.00 21.01 O ATOM 377 CB ASN A 28 1.513 3.837 -5.344 1.00 54.55 C ATOM 378 CG ASN A 28 0.682 2.564 -5.546 1.00 30.33 C ATOM 379 OD1 ASN A 28 -0.323 2.568 -6.235 1.00 13.21 O ATOM 380 ND2 ASN A 28 1.111 1.465 -4.948 1.00 51.40 N ATOM 0 H ASN A 28 3.768 2.631 -5.250 1.00 40.45 H new ATOM 0 HA ASN A 28 2.250 4.020 -7.360 1.00 31.52 H new ATOM 0 HB2 ASN A 28 1.920 3.839 -4.333 1.00 54.55 H new ATOM 0 HB3 ASN A 28 0.859 4.705 -5.427 1.00 54.55 H new ATOM 0 HD21 ASN A 28 0.597 0.591 -5.058 1.00 51.40 H new ATOM 0 HD22 ASN A 28 1.956 1.492 -4.377 1.00 51.40 H new ATOM 387 N ILE A 29 3.692 6.012 -7.099 1.00 25.34 N ATOM 388 CA ILE A 29 4.479 7.224 -6.969 1.00 51.14 C ATOM 389 C ILE A 29 3.570 8.421 -6.761 1.00 53.41 C ATOM 390 O ILE A 29 2.714 8.708 -7.597 1.00 41.33 O ATOM 391 CB ILE A 29 5.370 7.451 -8.216 1.00 24.04 C ATOM 392 CG1 ILE A 29 6.292 6.240 -8.425 1.00 44.13 C ATOM 393 CG2 ILE A 29 6.193 8.734 -8.071 1.00 3.31 C ATOM 394 CD1 ILE A 29 7.174 6.336 -9.646 1.00 3.40 C ATOM 0 H ILE A 29 3.344 5.835 -8.041 1.00 25.34 H new ATOM 0 HA ILE A 29 5.128 7.109 -6.101 1.00 51.14 H new ATOM 0 HB ILE A 29 4.727 7.562 -9.089 1.00 24.04 H new ATOM 0 HG12 ILE A 29 6.923 6.122 -7.544 1.00 44.13 H new ATOM 0 HG13 ILE A 29 5.680 5.341 -8.502 1.00 44.13 H new ATOM 0 HG21 ILE A 29 6.811 8.872 -8.958 1.00 3.31 H new ATOM 0 HG22 ILE A 29 5.522 9.586 -7.959 1.00 3.31 H new ATOM 0 HG23 ILE A 29 6.833 8.658 -7.192 1.00 3.31 H new ATOM 0 HD11 ILE A 29 7.793 5.441 -9.719 1.00 3.40 H new ATOM 0 HD12 ILE A 29 6.553 6.422 -10.538 1.00 3.40 H new ATOM 0 HD13 ILE A 29 7.814 7.214 -9.564 1.00 3.40 H new ATOM 406 N ILE A 30 3.762 9.091 -5.664 1.00 43.55 N ATOM 407 CA ILE A 30 2.986 10.243 -5.278 1.00 0.42 C ATOM 408 C ILE A 30 3.819 11.519 -5.468 1.00 4.41 C ATOM 409 O ILE A 30 4.995 11.585 -5.048 1.00 14.30 O ATOM 410 CB ILE A 30 2.530 10.116 -3.782 1.00 54.14 C ATOM 411 CG1 ILE A 30 1.608 8.894 -3.592 1.00 34.22 C ATOM 412 CG2 ILE A 30 1.878 11.396 -3.276 1.00 13.33 C ATOM 413 CD1 ILE A 30 1.203 8.629 -2.152 1.00 0.35 C ATOM 0 H ILE A 30 4.485 8.847 -4.988 1.00 43.55 H new ATOM 0 HA ILE A 30 2.099 10.298 -5.909 1.00 0.42 H new ATOM 0 HB ILE A 30 3.423 9.959 -3.177 1.00 54.14 H new ATOM 0 HG12 ILE A 30 0.707 9.038 -4.189 1.00 34.22 H new ATOM 0 HG13 ILE A 30 2.112 8.010 -3.983 1.00 34.22 H new ATOM 0 HG21 ILE A 30 1.577 11.265 -2.237 1.00 13.33 H new ATOM 0 HG22 ILE A 30 2.589 12.219 -3.347 1.00 13.33 H new ATOM 0 HG23 ILE A 30 1.000 11.621 -3.882 1.00 13.33 H new ATOM 0 HD11 ILE A 30 0.556 7.753 -2.111 1.00 0.35 H new ATOM 0 HD12 ILE A 30 2.094 8.450 -1.550 1.00 0.35 H new ATOM 0 HD13 ILE A 30 0.668 9.494 -1.760 1.00 0.35 H new ATOM 425 N GLY A 31 3.242 12.490 -6.131 1.00 50.44 N ATOM 426 CA GLY A 31 3.893 13.751 -6.321 1.00 50.31 C ATOM 427 C GLY A 31 3.229 14.538 -7.405 1.00 31.20 C ATOM 428 O GLY A 31 2.178 14.139 -7.901 1.00 2.15 O ATOM 0 H GLY A 31 2.314 12.424 -6.550 1.00 50.44 H new ATOM 0 HA2 GLY A 31 3.874 14.318 -5.391 1.00 50.31 H new ATOM 0 HA3 GLY A 31 4.941 13.589 -6.574 1.00 50.31 H new ATOM 432 N ARG A 32 3.788 15.665 -7.764 1.00 14.15 N ATOM 433 CA ARG A 32 3.223 16.426 -8.850 1.00 62.42 C ATOM 434 C ARG A 32 4.113 16.311 -10.059 1.00 10.52 C ATOM 435 O ARG A 32 5.189 16.914 -10.130 1.00 11.14 O ATOM 436 CB ARG A 32 3.057 17.891 -8.473 1.00 10.52 C ATOM 437 CG ARG A 32 2.225 18.109 -7.237 1.00 34.24 C ATOM 438 CD ARG A 32 1.995 19.584 -6.978 1.00 73.43 C ATOM 439 NE ARG A 32 1.235 20.242 -8.060 1.00 22.34 N ATOM 440 CZ ARG A 32 0.085 20.918 -7.885 1.00 72.31 C ATOM 441 NH1 ARG A 32 -0.485 20.959 -6.695 1.00 34.50 N ATOM 442 NH2 ARG A 32 -0.497 21.537 -8.904 1.00 33.14 N ATOM 0 H ARG A 32 4.618 16.071 -7.331 1.00 14.15 H new ATOM 0 HA ARG A 32 2.236 16.021 -9.074 1.00 62.42 H new ATOM 0 HB2 ARG A 32 4.042 18.331 -8.319 1.00 10.52 H new ATOM 0 HB3 ARG A 32 2.598 18.422 -9.307 1.00 10.52 H new ATOM 0 HG2 ARG A 32 1.266 17.604 -7.349 1.00 34.24 H new ATOM 0 HG3 ARG A 32 2.723 17.661 -6.377 1.00 34.24 H new ATOM 0 HD2 ARG A 32 1.457 19.704 -6.037 1.00 73.43 H new ATOM 0 HD3 ARG A 32 2.957 20.082 -6.861 1.00 73.43 H new ATOM 0 HE ARG A 32 1.608 20.179 -9.007 1.00 22.34 H new ATOM 0 HH11 ARG A 32 -0.054 20.478 -5.906 1.00 34.50 H new ATOM 0 HH12 ARG A 32 -1.357 21.472 -6.565 1.00 34.50 H new ATOM 0 HH21 ARG A 32 -0.073 21.503 -9.831 1.00 33.14 H new ATOM 0 HH22 ARG A 32 -1.369 22.047 -8.760 1.00 33.14 H new ATOM 456 N GLY A 33 3.678 15.540 -10.991 1.00 60.14 N ATOM 457 CA GLY A 33 4.395 15.368 -12.192 1.00 13.40 C ATOM 458 C GLY A 33 3.727 14.350 -13.048 1.00 43.22 C ATOM 459 O GLY A 33 2.825 13.645 -12.580 1.00 64.44 O ATOM 0 H GLY A 33 2.808 15.010 -10.936 1.00 60.14 H new ATOM 0 HA2 GLY A 33 4.459 16.317 -12.725 1.00 13.40 H new ATOM 0 HA3 GLY A 33 5.416 15.056 -11.973 1.00 13.40 H new ATOM 463 N GLN A 34 4.159 14.246 -14.280 1.00 34.10 N ATOM 464 CA GLN A 34 3.677 13.200 -15.184 1.00 53.53 C ATOM 465 C GLN A 34 4.456 11.928 -14.870 1.00 45.11 C ATOM 466 O GLN A 34 4.106 10.810 -15.277 1.00 12.44 O ATOM 467 CB GLN A 34 3.914 13.600 -16.644 1.00 52.13 C ATOM 468 CG GLN A 34 5.381 13.832 -16.985 1.00 44.44 C ATOM 469 CD GLN A 34 5.610 14.103 -18.442 1.00 10.21 C ATOM 470 OE1 GLN A 34 5.827 13.182 -19.222 1.00 1.53 O ATOM 471 NE2 GLN A 34 5.593 15.348 -18.820 1.00 21.12 N ATOM 0 H GLN A 34 4.849 14.873 -14.694 1.00 34.10 H new ATOM 0 HA GLN A 34 2.607 13.048 -15.045 1.00 53.53 H new ATOM 0 HB2 GLN A 34 3.518 12.820 -17.294 1.00 52.13 H new ATOM 0 HB3 GLN A 34 3.352 14.509 -16.858 1.00 52.13 H new ATOM 0 HG2 GLN A 34 5.755 14.674 -16.402 1.00 44.44 H new ATOM 0 HG3 GLN A 34 5.960 12.957 -16.689 1.00 44.44 H new ATOM 0 HE21 GLN A 34 5.408 16.085 -18.140 1.00 21.12 H new ATOM 0 HE22 GLN A 34 5.764 15.587 -19.797 1.00 21.12 H new ATOM 480 N ASP A 35 5.522 12.144 -14.127 1.00 4.20 N ATOM 481 CA ASP A 35 6.444 11.128 -13.671 1.00 21.31 C ATOM 482 C ASP A 35 5.901 10.496 -12.375 1.00 64.01 C ATOM 483 O ASP A 35 6.451 9.530 -11.839 1.00 71.43 O ATOM 484 CB ASP A 35 7.796 11.824 -13.449 1.00 30.14 C ATOM 485 CG ASP A 35 8.939 10.921 -13.088 1.00 11.43 C ATOM 486 OD1 ASP A 35 9.240 9.960 -13.835 1.00 71.15 O ATOM 487 OD2 ASP A 35 9.617 11.199 -12.115 1.00 52.03 O ATOM 0 H ASP A 35 5.780 13.079 -13.810 1.00 4.20 H new ATOM 0 HA ASP A 35 6.563 10.322 -14.395 1.00 21.31 H new ATOM 0 HB2 ASP A 35 8.058 12.367 -14.357 1.00 30.14 H new ATOM 0 HB3 ASP A 35 7.678 12.564 -12.658 1.00 30.14 H new ATOM 492 N ALA A 36 4.795 11.052 -11.902 1.00 3.20 N ATOM 493 CA ALA A 36 4.103 10.577 -10.722 1.00 61.20 C ATOM 494 C ALA A 36 2.794 9.928 -11.133 1.00 52.32 C ATOM 495 O ALA A 36 2.156 10.365 -12.093 1.00 11.01 O ATOM 496 CB ALA A 36 3.820 11.721 -9.778 1.00 32.01 C ATOM 0 H ALA A 36 4.349 11.859 -12.338 1.00 3.20 H new ATOM 0 HA ALA A 36 4.735 9.850 -10.213 1.00 61.20 H new ATOM 0 HB1 ALA A 36 3.300 11.345 -8.897 1.00 32.01 H new ATOM 0 HB2 ALA A 36 4.759 12.184 -9.475 1.00 32.01 H new ATOM 0 HB3 ALA A 36 3.196 12.461 -10.280 1.00 32.01 H new ATOM 502 N GLN A 37 2.381 8.927 -10.393 1.00 40.13 N ATOM 503 CA GLN A 37 1.173 8.186 -10.693 1.00 23.11 C ATOM 504 C GLN A 37 -0.015 8.753 -9.936 1.00 14.24 C ATOM 505 O GLN A 37 -1.151 8.723 -10.410 1.00 50.33 O ATOM 506 CB GLN A 37 1.366 6.716 -10.338 1.00 33.21 C ATOM 507 CG GLN A 37 2.448 6.027 -11.151 1.00 33.24 C ATOM 508 CD GLN A 37 2.202 6.127 -12.647 1.00 73.42 C ATOM 509 OE1 GLN A 37 1.052 6.198 -13.110 1.00 11.41 O ATOM 510 NE2 GLN A 37 3.253 6.142 -13.405 1.00 62.23 N ATOM 0 H GLN A 37 2.873 8.600 -9.562 1.00 40.13 H new ATOM 0 HA GLN A 37 0.970 8.276 -11.760 1.00 23.11 H new ATOM 0 HB2 GLN A 37 1.614 6.637 -9.279 1.00 33.21 H new ATOM 0 HB3 GLN A 37 0.423 6.189 -10.485 1.00 33.21 H new ATOM 0 HG2 GLN A 37 3.415 6.471 -10.914 1.00 33.24 H new ATOM 0 HG3 GLN A 37 2.501 4.977 -10.864 1.00 33.24 H new ATOM 0 HE21 GLN A 37 4.183 6.082 -12.989 1.00 62.23 H new ATOM 0 HE22 GLN A 37 3.151 6.214 -14.417 1.00 62.23 H new ATOM 519 N PHE A 38 0.250 9.249 -8.767 1.00 22.52 N ATOM 520 CA PHE A 38 -0.747 9.853 -7.933 1.00 74.44 C ATOM 521 C PHE A 38 -0.333 11.288 -7.723 1.00 23.21 C ATOM 522 O PHE A 38 0.791 11.557 -7.301 1.00 34.11 O ATOM 523 CB PHE A 38 -0.834 9.089 -6.603 1.00 32.45 C ATOM 524 CG PHE A 38 -1.841 9.615 -5.611 1.00 55.11 C ATOM 525 CD1 PHE A 38 -3.152 9.181 -5.630 1.00 53.23 C ATOM 526 CD2 PHE A 38 -1.462 10.517 -4.645 1.00 25.22 C ATOM 527 CE1 PHE A 38 -4.064 9.648 -4.702 1.00 42.33 C ATOM 528 CE2 PHE A 38 -2.349 10.983 -3.717 1.00 31.02 C ATOM 529 CZ PHE A 38 -3.661 10.553 -3.739 1.00 41.11 C ATOM 0 H PHE A 38 1.184 9.246 -8.356 1.00 22.52 H new ATOM 0 HA PHE A 38 -1.736 9.818 -8.391 1.00 74.44 H new ATOM 0 HB2 PHE A 38 -1.073 8.048 -6.818 1.00 32.45 H new ATOM 0 HB3 PHE A 38 0.150 9.099 -6.134 1.00 32.45 H new ATOM 0 HD1 PHE A 38 -3.468 8.469 -6.378 1.00 53.23 H new ATOM 0 HD2 PHE A 38 -0.440 10.865 -4.620 1.00 25.22 H new ATOM 0 HE1 PHE A 38 -5.088 9.307 -4.730 1.00 42.33 H new ATOM 0 HE2 PHE A 38 -2.024 11.688 -2.966 1.00 31.02 H new ATOM 0 HZ PHE A 38 -4.367 10.921 -3.009 1.00 41.11 H new ATOM 539 N ARG A 39 -1.205 12.197 -8.039 1.00 74.05 N ATOM 540 CA ARG A 39 -0.875 13.602 -7.983 1.00 33.23 C ATOM 541 C ARG A 39 -1.516 14.281 -6.794 1.00 24.21 C ATOM 542 O ARG A 39 -2.717 14.130 -6.552 1.00 52.04 O ATOM 543 CB ARG A 39 -1.220 14.331 -9.303 1.00 72.12 C ATOM 544 CG ARG A 39 -0.228 14.114 -10.465 1.00 11.22 C ATOM 545 CD ARG A 39 -0.169 12.670 -10.979 1.00 43.23 C ATOM 546 NE ARG A 39 -1.421 12.236 -11.619 1.00 5.23 N ATOM 547 CZ ARG A 39 -1.491 11.405 -12.683 1.00 54.24 C ATOM 548 NH1 ARG A 39 -0.380 10.824 -13.166 1.00 55.43 N ATOM 549 NH2 ARG A 39 -2.669 11.129 -13.234 1.00 31.01 N ATOM 0 H ARG A 39 -2.158 11.996 -8.341 1.00 74.05 H new ATOM 0 HA ARG A 39 0.205 13.667 -7.853 1.00 33.23 H new ATOM 0 HB2 ARG A 39 -2.209 14.007 -9.628 1.00 72.12 H new ATOM 0 HB3 ARG A 39 -1.286 15.400 -9.100 1.00 72.12 H new ATOM 0 HG2 ARG A 39 -0.503 14.771 -11.290 1.00 11.22 H new ATOM 0 HG3 ARG A 39 0.768 14.413 -10.138 1.00 11.22 H new ATOM 0 HD2 ARG A 39 0.649 12.578 -11.694 1.00 43.23 H new ATOM 0 HD3 ARG A 39 0.058 12.003 -10.147 1.00 43.23 H new ATOM 0 HE ARG A 39 -2.297 12.587 -11.233 1.00 5.23 H new ATOM 0 HH11 ARG A 39 0.523 11.009 -12.730 1.00 55.43 H new ATOM 0 HH12 ARG A 39 -0.440 10.198 -13.969 1.00 55.43 H new ATOM 0 HH21 ARG A 39 -3.520 11.544 -12.854 1.00 31.01 H new ATOM 0 HH22 ARG A 39 -2.722 10.502 -14.037 1.00 31.01 H new ATOM 563 N LEU A 40 -0.715 15.019 -6.057 1.00 42.55 N ATOM 564 CA LEU A 40 -1.187 15.722 -4.876 1.00 34.43 C ATOM 565 C LEU A 40 -1.778 17.091 -5.215 1.00 65.01 C ATOM 566 O LEU A 40 -1.315 17.759 -6.154 1.00 14.41 O ATOM 567 CB LEU A 40 -0.092 15.848 -3.812 1.00 4.50 C ATOM 568 CG LEU A 40 0.263 14.570 -3.049 1.00 42.21 C ATOM 569 CD1 LEU A 40 1.367 14.842 -2.051 1.00 61.40 C ATOM 570 CD2 LEU A 40 -0.954 14.022 -2.318 1.00 42.02 C ATOM 0 H LEU A 40 0.277 15.151 -6.255 1.00 42.55 H new ATOM 0 HA LEU A 40 -1.990 15.115 -4.458 1.00 34.43 H new ATOM 0 HB2 LEU A 40 0.812 16.221 -4.294 1.00 4.50 H new ATOM 0 HB3 LEU A 40 -0.402 16.603 -3.089 1.00 4.50 H new ATOM 0 HG LEU A 40 0.604 13.830 -3.773 1.00 42.21 H new ATOM 0 HD11 LEU A 40 1.608 13.923 -1.516 1.00 61.40 H new ATOM 0 HD12 LEU A 40 2.253 15.199 -2.576 1.00 61.40 H new ATOM 0 HD13 LEU A 40 1.037 15.600 -1.340 1.00 61.40 H new ATOM 0 HD21 LEU A 40 -0.678 13.114 -1.783 1.00 42.02 H new ATOM 0 HD22 LEU A 40 -1.317 14.765 -1.608 1.00 42.02 H new ATOM 0 HD23 LEU A 40 -1.739 13.794 -3.039 1.00 42.02 H new ATOM 582 N PRO A 41 -2.815 17.521 -4.466 1.00 10.03 N ATOM 583 CA PRO A 41 -3.510 18.791 -4.707 1.00 64.12 C ATOM 584 C PRO A 41 -2.703 20.047 -4.323 1.00 43.13 C ATOM 585 O PRO A 41 -2.806 21.082 -4.995 1.00 64.55 O ATOM 586 CB PRO A 41 -4.767 18.694 -3.820 1.00 3.32 C ATOM 587 CG PRO A 41 -4.843 17.272 -3.382 1.00 65.44 C ATOM 588 CD PRO A 41 -3.434 16.787 -3.342 1.00 43.21 C ATOM 0 HA PRO A 41 -3.706 18.913 -5.772 1.00 64.12 H new ATOM 0 HB2 PRO A 41 -4.694 19.364 -2.963 1.00 3.32 H new ATOM 0 HB3 PRO A 41 -5.660 18.981 -4.374 1.00 3.32 H new ATOM 0 HG2 PRO A 41 -5.314 17.189 -2.402 1.00 65.44 H new ATOM 0 HG3 PRO A 41 -5.441 16.680 -4.075 1.00 65.44 H new ATOM 0 HD2 PRO A 41 -2.952 17.017 -2.392 1.00 43.21 H new ATOM 0 HD3 PRO A 41 -3.372 15.707 -3.478 1.00 43.21 H new ATOM 596 N ASP A 42 -1.884 19.964 -3.282 1.00 1.43 N ATOM 597 CA ASP A 42 -1.170 21.162 -2.804 1.00 42.10 C ATOM 598 C ASP A 42 0.196 21.212 -3.474 1.00 33.00 C ATOM 599 O ASP A 42 0.537 20.310 -4.256 1.00 35.31 O ATOM 600 CB ASP A 42 -1.021 21.151 -1.266 1.00 4.43 C ATOM 601 CG ASP A 42 -0.842 22.540 -0.652 1.00 22.34 C ATOM 602 OD1 ASP A 42 0.240 23.158 -0.794 1.00 33.23 O ATOM 603 OD2 ASP A 42 -1.796 23.038 -0.013 1.00 34.20 O ATOM 0 H ASP A 42 -1.694 19.109 -2.759 1.00 1.43 H new ATOM 0 HA ASP A 42 -1.745 22.050 -3.065 1.00 42.10 H new ATOM 0 HB2 ASP A 42 -1.902 20.682 -0.829 1.00 4.43 H new ATOM 0 HB3 ASP A 42 -0.164 20.533 -0.998 1.00 4.43 H new ATOM 608 N THR A 43 0.979 22.202 -3.180 1.00 42.23 N ATOM 609 CA THR A 43 2.235 22.368 -3.831 1.00 11.42 C ATOM 610 C THR A 43 3.378 22.295 -2.808 1.00 11.41 C ATOM 611 O THR A 43 3.148 22.287 -1.590 1.00 21.44 O ATOM 612 CB THR A 43 2.278 23.677 -4.671 1.00 44.44 C ATOM 613 OG1 THR A 43 3.462 23.709 -5.488 1.00 3.24 O ATOM 614 CG2 THR A 43 2.237 24.916 -3.781 1.00 51.35 C ATOM 0 H THR A 43 0.764 22.915 -2.483 1.00 42.23 H new ATOM 0 HA THR A 43 2.368 21.548 -4.537 1.00 11.42 H new ATOM 0 HB THR A 43 1.395 23.685 -5.309 1.00 44.44 H new ATOM 0 HG1 THR A 43 3.475 24.537 -6.012 1.00 3.24 H new ATOM 0 HG21 THR A 43 2.269 25.811 -4.402 1.00 51.35 H new ATOM 0 HG22 THR A 43 1.318 24.913 -3.195 1.00 51.35 H new ATOM 0 HG23 THR A 43 3.095 24.910 -3.109 1.00 51.35 H new ATOM 622 N GLY A 44 4.595 22.251 -3.301 1.00 74.25 N ATOM 623 CA GLY A 44 5.747 22.014 -2.451 1.00 11.03 C ATOM 624 C GLY A 44 6.122 20.562 -2.532 1.00 50.42 C ATOM 625 O GLY A 44 7.126 20.105 -1.972 1.00 34.15 O ATOM 0 H GLY A 44 4.816 22.376 -4.289 1.00 74.25 H new ATOM 0 HA2 GLY A 44 6.583 22.637 -2.767 1.00 11.03 H new ATOM 0 HA3 GLY A 44 5.518 22.287 -1.421 1.00 11.03 H new ATOM 629 N VAL A 45 5.286 19.854 -3.230 1.00 34.44 N ATOM 630 CA VAL A 45 5.410 18.458 -3.486 1.00 44.50 C ATOM 631 C VAL A 45 6.219 18.289 -4.758 1.00 10.40 C ATOM 632 O VAL A 45 5.923 18.940 -5.767 1.00 71.22 O ATOM 633 CB VAL A 45 3.995 17.849 -3.697 1.00 64.11 C ATOM 634 CG1 VAL A 45 4.064 16.379 -4.022 1.00 25.14 C ATOM 635 CG2 VAL A 45 3.127 18.072 -2.475 1.00 30.22 C ATOM 0 H VAL A 45 4.455 20.261 -3.658 1.00 34.44 H new ATOM 0 HA VAL A 45 5.898 17.956 -2.650 1.00 44.50 H new ATOM 0 HB VAL A 45 3.546 18.361 -4.548 1.00 64.11 H new ATOM 0 HG11 VAL A 45 3.056 15.990 -4.162 1.00 25.14 H new ATOM 0 HG12 VAL A 45 4.639 16.235 -4.937 1.00 25.14 H new ATOM 0 HG13 VAL A 45 4.547 15.847 -3.202 1.00 25.14 H new ATOM 0 HG21 VAL A 45 2.142 17.638 -2.645 1.00 30.22 H new ATOM 0 HG22 VAL A 45 3.589 17.597 -1.609 1.00 30.22 H new ATOM 0 HG23 VAL A 45 3.026 19.142 -2.291 1.00 30.22 H new ATOM 645 N SER A 46 7.230 17.465 -4.708 1.00 41.11 N ATOM 646 CA SER A 46 8.069 17.199 -5.860 1.00 60.41 C ATOM 647 C SER A 46 7.342 16.239 -6.828 1.00 73.03 C ATOM 648 O SER A 46 6.266 15.739 -6.497 1.00 24.14 O ATOM 649 CB SER A 46 9.358 16.575 -5.368 1.00 54.31 C ATOM 650 OG SER A 46 9.924 17.363 -4.330 1.00 61.43 O ATOM 0 H SER A 46 7.502 16.954 -3.868 1.00 41.11 H new ATOM 0 HA SER A 46 8.284 18.123 -6.396 1.00 60.41 H new ATOM 0 HB2 SER A 46 9.165 15.566 -5.004 1.00 54.31 H new ATOM 0 HB3 SER A 46 10.065 16.486 -6.193 1.00 54.31 H new ATOM 0 HG SER A 46 10.899 17.269 -4.343 1.00 61.43 H new ATOM 656 N ARG A 47 7.907 16.017 -8.029 1.00 54.40 N ATOM 657 CA ARG A 47 7.338 15.051 -8.995 1.00 75.43 C ATOM 658 C ARG A 47 7.267 13.674 -8.363 1.00 1.30 C ATOM 659 O ARG A 47 6.267 12.999 -8.427 1.00 31.34 O ATOM 660 CB ARG A 47 8.145 14.998 -10.314 1.00 10.34 C ATOM 661 CG ARG A 47 9.622 14.710 -10.125 1.00 14.34 C ATOM 662 CD ARG A 47 10.351 14.469 -11.427 1.00 62.53 C ATOM 663 NE ARG A 47 11.798 14.260 -11.203 1.00 15.34 N ATOM 664 CZ ARG A 47 12.557 13.343 -11.823 1.00 61.22 C ATOM 665 NH1 ARG A 47 11.998 12.316 -12.434 1.00 52.13 N ATOM 666 NH2 ARG A 47 13.875 13.392 -11.716 1.00 11.21 N ATOM 0 H ARG A 47 8.751 16.488 -8.355 1.00 54.40 H new ATOM 0 HA ARG A 47 6.333 15.389 -9.249 1.00 75.43 H new ATOM 0 HB2 ARG A 47 7.716 14.231 -10.959 1.00 10.34 H new ATOM 0 HB3 ARG A 47 8.035 15.950 -10.833 1.00 10.34 H new ATOM 0 HG2 ARG A 47 10.086 15.549 -9.606 1.00 14.34 H new ATOM 0 HG3 ARG A 47 9.736 13.836 -9.484 1.00 14.34 H new ATOM 0 HD2 ARG A 47 9.929 13.597 -11.927 1.00 62.53 H new ATOM 0 HD3 ARG A 47 10.203 15.320 -12.092 1.00 62.53 H new ATOM 0 HE ARG A 47 12.257 14.863 -10.520 1.00 15.34 H new ATOM 0 HH11 ARG A 47 10.983 12.215 -12.437 1.00 52.13 H new ATOM 0 HH12 ARG A 47 12.581 11.623 -12.903 1.00 52.13 H new ATOM 0 HH21 ARG A 47 14.315 14.127 -11.162 1.00 11.21 H new ATOM 0 HH22 ARG A 47 14.451 12.695 -12.187 1.00 11.21 H new ATOM 680 N ARG A 48 8.339 13.296 -7.741 1.00 73.52 N ATOM 681 CA ARG A 48 8.413 12.099 -6.991 1.00 34.21 C ATOM 682 C ARG A 48 8.721 12.545 -5.615 1.00 32.42 C ATOM 683 O ARG A 48 9.849 12.886 -5.320 1.00 25.25 O ATOM 684 CB ARG A 48 9.509 11.163 -7.518 1.00 3.54 C ATOM 685 CG ARG A 48 9.285 10.702 -8.948 1.00 45.02 C ATOM 686 CD ARG A 48 10.428 9.835 -9.453 1.00 33.42 C ATOM 687 NE ARG A 48 10.562 8.566 -8.719 1.00 25.41 N ATOM 688 CZ ARG A 48 11.104 7.451 -9.232 1.00 75.52 C ATOM 689 NH1 ARG A 48 11.511 7.419 -10.489 1.00 51.24 N ATOM 690 NH2 ARG A 48 11.217 6.374 -8.490 1.00 63.34 N ATOM 0 H ARG A 48 9.207 13.832 -7.746 1.00 73.52 H new ATOM 0 HA ARG A 48 7.487 11.527 -7.051 1.00 34.21 H new ATOM 0 HB2 ARG A 48 10.470 11.673 -7.457 1.00 3.54 H new ATOM 0 HB3 ARG A 48 9.570 10.289 -6.870 1.00 3.54 H new ATOM 0 HG2 ARG A 48 8.352 10.142 -9.006 1.00 45.02 H new ATOM 0 HG3 ARG A 48 9.176 11.571 -9.596 1.00 45.02 H new ATOM 0 HD2 ARG A 48 10.273 9.621 -10.510 1.00 33.42 H new ATOM 0 HD3 ARG A 48 11.361 10.393 -9.374 1.00 33.42 H new ATOM 0 HE ARG A 48 10.221 8.532 -7.758 1.00 25.41 H new ATOM 0 HH11 ARG A 48 11.414 8.246 -11.078 1.00 51.24 H new ATOM 0 HH12 ARG A 48 11.922 6.567 -10.870 1.00 51.24 H new ATOM 0 HH21 ARG A 48 10.893 6.385 -7.523 1.00 63.34 H new ATOM 0 HH22 ARG A 48 11.629 5.527 -8.880 1.00 63.34 H new ATOM 704 N HIS A 49 7.704 12.670 -4.840 1.00 44.04 N ATOM 705 CA HIS A 49 7.815 13.167 -3.492 1.00 14.21 C ATOM 706 C HIS A 49 7.847 12.001 -2.544 1.00 45.24 C ATOM 707 O HIS A 49 8.480 12.044 -1.510 1.00 25.02 O ATOM 708 CB HIS A 49 6.634 14.119 -3.184 1.00 3.31 C ATOM 709 CG HIS A 49 6.606 14.677 -1.785 1.00 10.42 C ATOM 710 ND1 HIS A 49 7.029 15.954 -1.502 1.00 44.32 N ATOM 711 CD2 HIS A 49 6.201 14.078 -0.642 1.00 74.22 C ATOM 712 CE1 HIS A 49 6.877 16.087 -0.187 1.00 53.12 C ATOM 713 NE2 HIS A 49 6.379 14.970 0.367 1.00 61.41 N ATOM 0 H HIS A 49 6.752 12.430 -5.117 1.00 44.04 H new ATOM 0 HA HIS A 49 8.737 13.736 -3.373 1.00 14.21 H new ATOM 0 HB2 HIS A 49 6.665 14.950 -3.889 1.00 3.31 H new ATOM 0 HB3 HIS A 49 5.701 13.584 -3.363 1.00 3.31 H new ATOM 0 HD2 HIS A 49 5.809 13.076 -0.549 1.00 74.22 H new ATOM 0 HE1 HIS A 49 7.123 16.982 0.366 1.00 53.12 H new ATOM 0 HE2 HIS A 49 6.174 14.820 1.355 1.00 61.41 H new ATOM 721 N LEU A 50 7.167 10.960 -2.912 1.00 4.12 N ATOM 722 CA LEU A 50 7.120 9.774 -2.125 1.00 1.01 C ATOM 723 C LEU A 50 6.603 8.645 -2.978 1.00 1.13 C ATOM 724 O LEU A 50 5.802 8.864 -3.873 1.00 51.13 O ATOM 725 CB LEU A 50 6.282 10.022 -0.835 1.00 13.31 C ATOM 726 CG LEU A 50 5.979 8.827 0.072 1.00 72.04 C ATOM 727 CD1 LEU A 50 5.774 9.324 1.484 1.00 22.13 C ATOM 728 CD2 LEU A 50 4.705 8.125 -0.376 1.00 43.31 C ATOM 0 H LEU A 50 6.625 10.912 -3.775 1.00 4.12 H new ATOM 0 HA LEU A 50 8.115 9.489 -1.784 1.00 1.01 H new ATOM 0 HB2 LEU A 50 6.804 10.769 -0.238 1.00 13.31 H new ATOM 0 HB3 LEU A 50 5.331 10.462 -1.135 1.00 13.31 H new ATOM 0 HG LEU A 50 6.814 8.128 0.021 1.00 72.04 H new ATOM 0 HD11 LEU A 50 5.557 8.480 2.139 1.00 22.13 H new ATOM 0 HD12 LEU A 50 6.678 9.827 1.827 1.00 22.13 H new ATOM 0 HD13 LEU A 50 4.939 10.024 1.506 1.00 22.13 H new ATOM 0 HD21 LEU A 50 4.506 7.278 0.281 1.00 43.31 H new ATOM 0 HD22 LEU A 50 3.869 8.824 -0.331 1.00 43.31 H new ATOM 0 HD23 LEU A 50 4.826 7.770 -1.399 1.00 43.31 H new ATOM 740 N GLU A 51 7.096 7.471 -2.749 1.00 72.45 N ATOM 741 CA GLU A 51 6.666 6.312 -3.486 1.00 32.42 C ATOM 742 C GLU A 51 6.495 5.137 -2.564 1.00 53.02 C ATOM 743 O GLU A 51 7.239 4.979 -1.587 1.00 23.30 O ATOM 744 CB GLU A 51 7.636 5.983 -4.614 1.00 13.21 C ATOM 745 CG GLU A 51 9.080 5.897 -4.169 1.00 71.12 C ATOM 746 CD GLU A 51 10.003 5.528 -5.291 1.00 42.13 C ATOM 747 OE1 GLU A 51 10.486 6.423 -5.993 1.00 41.25 O ATOM 748 OE2 GLU A 51 10.260 4.311 -5.495 1.00 61.23 O ATOM 0 H GLU A 51 7.810 7.281 -2.046 1.00 72.45 H new ATOM 0 HA GLU A 51 5.700 6.538 -3.939 1.00 32.42 H new ATOM 0 HB2 GLU A 51 7.347 5.034 -5.065 1.00 13.21 H new ATOM 0 HB3 GLU A 51 7.549 6.744 -5.390 1.00 13.21 H new ATOM 0 HG2 GLU A 51 9.386 6.856 -3.751 1.00 71.12 H new ATOM 0 HG3 GLU A 51 9.168 5.159 -3.372 1.00 71.12 H new ATOM 755 N ILE A 52 5.510 4.342 -2.843 1.00 71.42 N ATOM 756 CA ILE A 52 5.222 3.187 -2.046 1.00 63.22 C ATOM 757 C ILE A 52 5.187 1.953 -2.925 1.00 33.11 C ATOM 758 O ILE A 52 4.338 1.851 -3.810 1.00 73.44 O ATOM 759 CB ILE A 52 3.849 3.306 -1.342 1.00 51.32 C ATOM 760 CG1 ILE A 52 3.770 4.586 -0.502 1.00 13.33 C ATOM 761 CG2 ILE A 52 3.623 2.081 -0.468 1.00 30.20 C ATOM 762 CD1 ILE A 52 2.407 4.854 0.110 1.00 5.04 C ATOM 0 H ILE A 52 4.879 4.475 -3.633 1.00 71.42 H new ATOM 0 HA ILE A 52 6.006 3.111 -1.293 1.00 63.22 H new ATOM 0 HB ILE A 52 3.068 3.359 -2.100 1.00 51.32 H new ATOM 0 HG12 ILE A 52 4.508 4.527 0.298 1.00 13.33 H new ATOM 0 HG13 ILE A 52 4.046 5.434 -1.128 1.00 13.33 H new ATOM 0 HG21 ILE A 52 2.656 2.162 0.029 1.00 30.20 H new ATOM 0 HG22 ILE A 52 3.638 1.184 -1.087 1.00 30.20 H new ATOM 0 HG23 ILE A 52 4.412 2.018 0.281 1.00 30.20 H new ATOM 0 HD11 ILE A 52 2.442 5.778 0.687 1.00 5.04 H new ATOM 0 HD12 ILE A 52 1.665 4.949 -0.682 1.00 5.04 H new ATOM 0 HD13 ILE A 52 2.134 4.027 0.766 1.00 5.04 H new ATOM 774 N ARG A 53 6.086 1.029 -2.699 1.00 1.11 N ATOM 775 CA ARG A 53 6.057 -0.205 -3.436 1.00 55.22 C ATOM 776 C ARG A 53 5.236 -1.182 -2.659 1.00 13.11 C ATOM 777 O ARG A 53 5.595 -1.563 -1.544 1.00 33.33 O ATOM 778 CB ARG A 53 7.438 -0.798 -3.681 1.00 14.14 C ATOM 779 CG ARG A 53 7.402 -1.993 -4.637 1.00 2.34 C ATOM 780 CD ARG A 53 8.733 -2.706 -4.723 1.00 70.41 C ATOM 781 NE ARG A 53 9.064 -3.414 -3.480 1.00 62.42 N ATOM 782 CZ ARG A 53 10.268 -3.916 -3.184 1.00 34.02 C ATOM 783 NH1 ARG A 53 11.311 -3.680 -3.982 1.00 22.32 N ATOM 784 NH2 ARG A 53 10.428 -4.640 -2.084 1.00 34.43 N ATOM 0 H ARG A 53 6.840 1.108 -2.017 1.00 1.11 H new ATOM 0 HA ARG A 53 5.632 0.003 -4.418 1.00 55.22 H new ATOM 0 HB2 ARG A 53 8.093 -0.029 -4.091 1.00 14.14 H new ATOM 0 HB3 ARG A 53 7.870 -1.110 -2.730 1.00 14.14 H new ATOM 0 HG2 ARG A 53 6.638 -2.696 -4.306 1.00 2.34 H new ATOM 0 HG3 ARG A 53 7.112 -1.651 -5.630 1.00 2.34 H new ATOM 0 HD2 ARG A 53 8.710 -3.417 -5.549 1.00 70.41 H new ATOM 0 HD3 ARG A 53 9.517 -1.983 -4.947 1.00 70.41 H new ATOM 0 HE ARG A 53 8.321 -3.532 -2.791 1.00 62.42 H new ATOM 0 HH11 ARG A 53 11.192 -3.114 -4.822 1.00 22.32 H new ATOM 0 HH12 ARG A 53 12.227 -4.065 -3.752 1.00 22.32 H new ATOM 0 HH21 ARG A 53 9.634 -4.812 -1.467 1.00 34.43 H new ATOM 0 HH22 ARG A 53 11.345 -5.024 -1.855 1.00 34.43 H new ATOM 798 N TRP A 54 4.138 -1.543 -3.198 1.00 5.12 N ATOM 799 CA TRP A 54 3.283 -2.464 -2.565 1.00 44.14 C ATOM 800 C TRP A 54 3.431 -3.835 -3.199 1.00 42.52 C ATOM 801 O TRP A 54 3.308 -3.987 -4.427 1.00 71.51 O ATOM 802 CB TRP A 54 1.830 -1.965 -2.602 1.00 12.23 C ATOM 803 CG TRP A 54 0.820 -2.986 -2.127 1.00 21.11 C ATOM 804 CD1 TRP A 54 -0.237 -3.482 -2.825 1.00 53.05 C ATOM 805 CD2 TRP A 54 0.809 -3.664 -0.861 1.00 71.41 C ATOM 806 NE1 TRP A 54 -0.901 -4.415 -2.066 1.00 64.45 N ATOM 807 CE2 TRP A 54 -0.278 -4.545 -0.866 1.00 12.32 C ATOM 808 CE3 TRP A 54 1.614 -3.607 0.265 1.00 0.33 C ATOM 809 CZ2 TRP A 54 -0.579 -5.367 0.219 1.00 62.13 C ATOM 810 CZ3 TRP A 54 1.323 -4.416 1.340 1.00 13.00 C ATOM 811 CH2 TRP A 54 0.234 -5.288 1.313 1.00 65.04 C ATOM 0 H TRP A 54 3.804 -1.204 -4.100 1.00 5.12 H new ATOM 0 HA TRP A 54 3.566 -2.553 -1.516 1.00 44.14 H new ATOM 0 HB2 TRP A 54 1.747 -1.071 -1.984 1.00 12.23 H new ATOM 0 HB3 TRP A 54 1.583 -1.671 -3.622 1.00 12.23 H new ATOM 0 HD1 TRP A 54 -0.513 -3.186 -3.826 1.00 53.05 H new ATOM 0 HE1 TRP A 54 -1.732 -4.930 -2.358 1.00 64.45 H new ATOM 0 HE3 TRP A 54 2.460 -2.936 0.299 1.00 0.33 H new ATOM 0 HZ2 TRP A 54 -1.423 -6.040 0.195 1.00 62.13 H new ATOM 0 HZ3 TRP A 54 1.948 -4.375 2.220 1.00 13.00 H new ATOM 0 HH2 TRP A 54 0.031 -5.911 2.172 1.00 65.04 H new ATOM 822 N ASP A 55 3.717 -4.804 -2.370 1.00 1.21 N ATOM 823 CA ASP A 55 3.871 -6.184 -2.768 1.00 12.45 C ATOM 824 C ASP A 55 3.081 -7.027 -1.781 1.00 13.24 C ATOM 825 O ASP A 55 2.668 -6.504 -0.750 1.00 42.43 O ATOM 826 CB ASP A 55 5.369 -6.579 -2.799 1.00 55.53 C ATOM 827 CG ASP A 55 5.613 -8.016 -3.222 1.00 2.22 C ATOM 828 OD1 ASP A 55 4.889 -8.527 -4.123 1.00 72.23 O ATOM 829 OD2 ASP A 55 6.533 -8.668 -2.675 1.00 40.12 O ATOM 0 H ASP A 55 3.854 -4.654 -1.370 1.00 1.21 H new ATOM 0 HA ASP A 55 3.492 -6.346 -3.777 1.00 12.45 H new ATOM 0 HB2 ASP A 55 5.897 -5.914 -3.482 1.00 55.53 H new ATOM 0 HB3 ASP A 55 5.797 -6.423 -1.809 1.00 55.53 H new ATOM 834 N GLY A 56 2.886 -8.300 -2.064 1.00 43.25 N ATOM 835 CA GLY A 56 2.047 -9.160 -1.236 1.00 22.43 C ATOM 836 C GLY A 56 2.663 -9.566 0.105 1.00 11.21 C ATOM 837 O GLY A 56 2.829 -10.755 0.379 1.00 21.41 O ATOM 0 H GLY A 56 3.300 -8.770 -2.869 1.00 43.25 H new ATOM 0 HA2 GLY A 56 1.104 -8.648 -1.045 1.00 22.43 H new ATOM 0 HA3 GLY A 56 1.811 -10.063 -1.799 1.00 22.43 H new ATOM 841 N GLN A 57 2.999 -8.584 0.917 1.00 23.03 N ATOM 842 CA GLN A 57 3.495 -8.783 2.266 1.00 12.02 C ATOM 843 C GLN A 57 3.557 -7.439 2.973 1.00 60.14 C ATOM 844 O GLN A 57 2.785 -7.178 3.887 1.00 15.44 O ATOM 845 CB GLN A 57 4.881 -9.451 2.303 1.00 5.45 C ATOM 846 CG GLN A 57 5.332 -9.830 3.712 1.00 55.12 C ATOM 847 CD GLN A 57 4.475 -10.919 4.328 1.00 43.13 C ATOM 848 OE1 GLN A 57 3.448 -10.651 4.963 1.00 53.33 O ATOM 849 NE2 GLN A 57 4.897 -12.145 4.177 1.00 32.31 N ATOM 0 H GLN A 57 2.934 -7.601 0.652 1.00 23.03 H new ATOM 0 HA GLN A 57 2.806 -9.458 2.773 1.00 12.02 H new ATOM 0 HB2 GLN A 57 4.862 -10.347 1.682 1.00 5.45 H new ATOM 0 HB3 GLN A 57 5.614 -8.775 1.864 1.00 5.45 H new ATOM 0 HG2 GLN A 57 6.369 -10.164 3.679 1.00 55.12 H new ATOM 0 HG3 GLN A 57 5.302 -8.946 4.349 1.00 55.12 H new ATOM 0 HE21 GLN A 57 5.749 -12.330 3.647 1.00 32.31 H new ATOM 0 HE22 GLN A 57 4.375 -12.918 4.589 1.00 32.31 H new ATOM 858 N VAL A 58 4.455 -6.576 2.530 1.00 34.15 N ATOM 859 CA VAL A 58 4.618 -5.268 3.148 1.00 45.24 C ATOM 860 C VAL A 58 4.653 -4.167 2.114 1.00 4.15 C ATOM 861 O VAL A 58 4.966 -4.402 0.926 1.00 74.11 O ATOM 862 CB VAL A 58 5.892 -5.150 4.047 1.00 60.22 C ATOM 863 CG1 VAL A 58 5.813 -6.060 5.258 1.00 30.34 C ATOM 864 CG2 VAL A 58 7.154 -5.426 3.247 1.00 22.25 C ATOM 0 H VAL A 58 5.082 -6.755 1.746 1.00 34.15 H new ATOM 0 HA VAL A 58 3.745 -5.155 3.790 1.00 45.24 H new ATOM 0 HB VAL A 58 5.935 -4.123 4.410 1.00 60.22 H new ATOM 0 HG11 VAL A 58 6.717 -5.948 5.857 1.00 30.34 H new ATOM 0 HG12 VAL A 58 4.944 -5.791 5.859 1.00 30.34 H new ATOM 0 HG13 VAL A 58 5.721 -7.095 4.930 1.00 30.34 H new ATOM 0 HG21 VAL A 58 8.024 -5.337 3.898 1.00 22.25 H new ATOM 0 HG22 VAL A 58 7.111 -6.434 2.835 1.00 22.25 H new ATOM 0 HG23 VAL A 58 7.234 -4.705 2.433 1.00 22.25 H new ATOM 874 N ALA A 59 4.326 -2.988 2.553 1.00 15.12 N ATOM 875 CA ALA A 59 4.341 -1.826 1.726 1.00 51.45 C ATOM 876 C ALA A 59 5.578 -1.015 2.022 1.00 44.44 C ATOM 877 O ALA A 59 5.760 -0.497 3.139 1.00 21.13 O ATOM 878 CB ALA A 59 3.100 -0.998 1.947 1.00 33.52 C ATOM 0 H ALA A 59 4.037 -2.807 3.514 1.00 15.12 H new ATOM 0 HA ALA A 59 4.356 -2.134 0.681 1.00 51.45 H new ATOM 0 HB1 ALA A 59 3.132 -0.117 1.307 1.00 33.52 H new ATOM 0 HB2 ALA A 59 2.219 -1.591 1.704 1.00 33.52 H new ATOM 0 HB3 ALA A 59 3.051 -0.687 2.990 1.00 33.52 H new ATOM 884 N LEU A 60 6.416 -0.935 1.048 1.00 4.03 N ATOM 885 CA LEU A 60 7.660 -0.221 1.134 1.00 43.54 C ATOM 886 C LEU A 60 7.401 1.269 0.920 1.00 3.11 C ATOM 887 O LEU A 60 6.993 1.686 -0.153 1.00 44.34 O ATOM 888 CB LEU A 60 8.642 -0.827 0.098 1.00 25.55 C ATOM 889 CG LEU A 60 10.065 -0.243 -0.033 1.00 2.55 C ATOM 890 CD1 LEU A 60 10.952 -1.263 -0.709 1.00 75.40 C ATOM 891 CD2 LEU A 60 10.066 1.025 -0.878 1.00 2.52 C ATOM 0 H LEU A 60 6.259 -1.374 0.141 1.00 4.03 H new ATOM 0 HA LEU A 60 8.116 -0.321 2.119 1.00 43.54 H new ATOM 0 HB2 LEU A 60 8.744 -1.888 0.327 1.00 25.55 H new ATOM 0 HB3 LEU A 60 8.168 -0.756 -0.881 1.00 25.55 H new ATOM 0 HG LEU A 60 10.429 -0.002 0.966 1.00 2.55 H new ATOM 0 HD11 LEU A 60 11.960 -0.861 -0.807 1.00 75.40 H new ATOM 0 HD12 LEU A 60 10.981 -2.173 -0.110 1.00 75.40 H new ATOM 0 HD13 LEU A 60 10.555 -1.492 -1.698 1.00 75.40 H new ATOM 0 HD21 LEU A 60 11.082 1.412 -0.952 1.00 2.52 H new ATOM 0 HD22 LEU A 60 9.691 0.798 -1.876 1.00 2.52 H new ATOM 0 HD23 LEU A 60 9.425 1.774 -0.412 1.00 2.52 H new ATOM 903 N LEU A 61 7.619 2.037 1.944 1.00 64.31 N ATOM 904 CA LEU A 61 7.392 3.464 1.932 1.00 50.42 C ATOM 905 C LEU A 61 8.735 4.160 1.760 1.00 43.54 C ATOM 906 O LEU A 61 9.656 3.958 2.562 1.00 13.32 O ATOM 907 CB LEU A 61 6.696 3.851 3.282 1.00 12.23 C ATOM 908 CG LEU A 61 6.259 5.323 3.565 1.00 12.21 C ATOM 909 CD1 LEU A 61 7.426 6.297 3.713 1.00 33.04 C ATOM 910 CD2 LEU A 61 5.295 5.803 2.510 1.00 34.24 C ATOM 0 H LEU A 61 7.968 1.687 2.836 1.00 64.31 H new ATOM 0 HA LEU A 61 6.746 3.772 1.110 1.00 50.42 H new ATOM 0 HB2 LEU A 61 5.805 3.230 3.372 1.00 12.23 H new ATOM 0 HB3 LEU A 61 7.371 3.558 4.086 1.00 12.23 H new ATOM 0 HG LEU A 61 5.759 5.306 4.534 1.00 12.21 H new ATOM 0 HD11 LEU A 61 7.042 7.298 3.908 1.00 33.04 H new ATOM 0 HD12 LEU A 61 8.059 5.983 4.543 1.00 33.04 H new ATOM 0 HD13 LEU A 61 8.012 6.306 2.794 1.00 33.04 H new ATOM 0 HD21 LEU A 61 5.002 6.831 2.725 1.00 34.24 H new ATOM 0 HD22 LEU A 61 5.774 5.759 1.532 1.00 34.24 H new ATOM 0 HD23 LEU A 61 4.410 5.166 2.509 1.00 34.24 H new ATOM 922 N ALA A 62 8.868 4.932 0.719 1.00 2.02 N ATOM 923 CA ALA A 62 10.079 5.672 0.478 1.00 15.14 C ATOM 924 C ALA A 62 9.765 7.143 0.269 1.00 32.50 C ATOM 925 O ALA A 62 8.997 7.499 -0.632 1.00 1.21 O ATOM 926 CB ALA A 62 10.822 5.106 -0.718 1.00 51.33 C ATOM 0 H ALA A 62 8.144 5.068 0.014 1.00 2.02 H new ATOM 0 HA ALA A 62 10.723 5.578 1.352 1.00 15.14 H new ATOM 0 HB1 ALA A 62 11.734 5.679 -0.884 1.00 51.33 H new ATOM 0 HB2 ALA A 62 11.078 4.064 -0.528 1.00 51.33 H new ATOM 0 HB3 ALA A 62 10.188 5.168 -1.603 1.00 51.33 H new ATOM 932 N ASP A 63 10.341 7.974 1.106 1.00 40.21 N ATOM 933 CA ASP A 63 10.157 9.423 1.042 1.00 43.40 C ATOM 934 C ASP A 63 11.190 10.001 0.104 1.00 0.53 C ATOM 935 O ASP A 63 12.393 9.769 0.280 1.00 32.10 O ATOM 936 CB ASP A 63 10.300 10.036 2.443 1.00 23.33 C ATOM 937 CG ASP A 63 10.209 11.553 2.460 1.00 63.21 C ATOM 938 OD1 ASP A 63 9.176 12.097 2.039 1.00 30.21 O ATOM 939 OD2 ASP A 63 11.138 12.211 2.982 1.00 52.24 O ATOM 0 H ASP A 63 10.957 7.671 1.860 1.00 40.21 H new ATOM 0 HA ASP A 63 9.158 9.654 0.672 1.00 43.40 H new ATOM 0 HB2 ASP A 63 9.523 9.627 3.089 1.00 23.33 H new ATOM 0 HB3 ASP A 63 11.258 9.734 2.866 1.00 23.33 H new ATOM 944 N LEU A 64 10.750 10.719 -0.888 1.00 41.12 N ATOM 945 CA LEU A 64 11.644 11.230 -1.887 1.00 71.42 C ATOM 946 C LEU A 64 11.558 12.763 -1.853 1.00 34.10 C ATOM 947 O LEU A 64 10.942 13.401 -2.717 1.00 21.35 O ATOM 948 CB LEU A 64 11.180 10.687 -3.264 1.00 73.25 C ATOM 949 CG LEU A 64 12.202 10.543 -4.418 1.00 13.22 C ATOM 950 CD1 LEU A 64 12.950 11.831 -4.731 1.00 23.00 C ATOM 951 CD2 LEU A 64 13.160 9.394 -4.162 1.00 12.45 C ATOM 0 H LEU A 64 9.770 10.966 -1.027 1.00 41.12 H new ATOM 0 HA LEU A 64 12.674 10.922 -1.709 1.00 71.42 H new ATOM 0 HB2 LEU A 64 10.740 9.704 -3.095 1.00 73.25 H new ATOM 0 HB3 LEU A 64 10.380 11.338 -3.617 1.00 73.25 H new ATOM 0 HG LEU A 64 11.619 10.313 -5.310 1.00 13.22 H new ATOM 0 HD11 LEU A 64 13.649 11.656 -5.549 1.00 23.00 H new ATOM 0 HD12 LEU A 64 12.238 12.604 -5.021 1.00 23.00 H new ATOM 0 HD13 LEU A 64 13.500 12.156 -3.848 1.00 23.00 H new ATOM 0 HD21 LEU A 64 13.866 9.317 -4.989 1.00 12.45 H new ATOM 0 HD22 LEU A 64 13.705 9.574 -3.235 1.00 12.45 H new ATOM 0 HD23 LEU A 64 12.598 8.464 -4.077 1.00 12.45 H new ATOM 963 N ASN A 65 12.185 13.326 -0.862 1.00 63.23 N ATOM 964 CA ASN A 65 12.249 14.759 -0.639 1.00 71.41 C ATOM 965 C ASN A 65 12.992 14.935 0.659 1.00 24.53 C ATOM 966 O ASN A 65 13.050 14.005 1.454 1.00 51.03 O ATOM 967 CB ASN A 65 10.839 15.390 -0.502 1.00 41.15 C ATOM 968 CG ASN A 65 10.881 16.906 -0.498 1.00 4.32 C ATOM 969 OD1 ASN A 65 11.059 17.534 0.533 1.00 44.13 O ATOM 970 ND2 ASN A 65 10.696 17.506 -1.634 1.00 53.22 N ATOM 0 H ASN A 65 12.687 12.789 -0.155 1.00 63.23 H new ATOM 0 HA ASN A 65 12.736 15.249 -1.482 1.00 71.41 H new ATOM 0 HB2 ASN A 65 10.210 15.049 -1.324 1.00 41.15 H new ATOM 0 HB3 ASN A 65 10.375 15.040 0.420 1.00 41.15 H new ATOM 0 HD21 ASN A 65 10.697 18.525 -1.679 1.00 53.22 H new ATOM 0 HD22 ASN A 65 10.549 16.958 -2.482 1.00 53.22 H new ATOM 977 N SER A 66 13.646 16.035 0.843 1.00 73.13 N ATOM 978 CA SER A 66 14.321 16.264 2.082 1.00 24.10 C ATOM 979 C SER A 66 13.659 17.375 2.945 1.00 71.42 C ATOM 980 O SER A 66 13.264 17.124 4.089 1.00 42.03 O ATOM 981 CB SER A 66 15.810 16.499 1.834 1.00 63.02 C ATOM 982 OG SER A 66 16.384 15.359 1.163 1.00 53.20 O ATOM 0 H SER A 66 13.728 16.786 0.157 1.00 73.13 H new ATOM 0 HA SER A 66 14.223 15.362 2.686 1.00 24.10 H new ATOM 0 HB2 SER A 66 15.949 17.395 1.230 1.00 63.02 H new ATOM 0 HB3 SER A 66 16.322 16.670 2.781 1.00 63.02 H new ATOM 0 HG SER A 66 17.338 15.518 1.006 1.00 53.20 H new ATOM 988 N THR A 67 13.456 18.563 2.364 1.00 24.12 N ATOM 989 CA THR A 67 12.992 19.731 3.129 1.00 73.14 C ATOM 990 C THR A 67 11.517 19.611 3.554 1.00 61.51 C ATOM 991 O THR A 67 11.154 19.957 4.673 1.00 41.54 O ATOM 992 CB THR A 67 13.235 21.086 2.345 1.00 75.22 C ATOM 993 OG1 THR A 67 13.001 22.230 3.196 1.00 43.15 O ATOM 994 CG2 THR A 67 12.334 21.209 1.106 1.00 14.13 C ATOM 0 H THR A 67 13.604 18.743 1.371 1.00 24.12 H new ATOM 0 HA THR A 67 13.594 19.751 4.038 1.00 73.14 H new ATOM 0 HB THR A 67 14.277 21.067 2.024 1.00 75.22 H new ATOM 0 HG1 THR A 67 13.159 23.053 2.688 1.00 43.15 H new ATOM 0 HG21 THR A 67 12.536 22.154 0.601 1.00 14.13 H new ATOM 0 HG22 THR A 67 12.537 20.383 0.425 1.00 14.13 H new ATOM 0 HG23 THR A 67 11.288 21.178 1.412 1.00 14.13 H new ATOM 1002 N ASN A 68 10.704 19.077 2.690 1.00 32.32 N ATOM 1003 CA ASN A 68 9.273 19.002 2.896 1.00 62.10 C ATOM 1004 C ASN A 68 8.902 17.533 2.956 1.00 33.23 C ATOM 1005 O ASN A 68 7.750 17.133 2.735 1.00 11.44 O ATOM 1006 CB ASN A 68 8.580 19.706 1.711 1.00 10.33 C ATOM 1007 CG ASN A 68 7.079 19.861 1.875 1.00 21.43 C ATOM 1008 OD1 ASN A 68 6.566 19.994 2.981 1.00 75.43 O ATOM 1009 ND2 ASN A 68 6.373 19.875 0.779 1.00 12.25 N ATOM 0 H ASN A 68 11.014 18.673 1.806 1.00 32.32 H new ATOM 0 HA ASN A 68 8.961 19.490 3.819 1.00 62.10 H new ATOM 0 HB2 ASN A 68 9.024 20.693 1.578 1.00 10.33 H new ATOM 0 HB3 ASN A 68 8.779 19.142 0.800 1.00 10.33 H new ATOM 0 HD21 ASN A 68 5.362 19.999 0.825 1.00 12.25 H new ATOM 0 HD22 ASN A 68 6.832 19.762 -0.125 1.00 12.25 H new ATOM 1016 N GLY A 69 9.907 16.752 3.308 1.00 12.40 N ATOM 1017 CA GLY A 69 9.806 15.321 3.353 1.00 40.21 C ATOM 1018 C GLY A 69 8.768 14.813 4.321 1.00 40.15 C ATOM 1019 O GLY A 69 8.305 15.533 5.219 1.00 52.04 O ATOM 0 H GLY A 69 10.826 17.108 3.573 1.00 12.40 H new ATOM 0 HA2 GLY A 69 9.570 14.951 2.355 1.00 40.21 H new ATOM 0 HA3 GLY A 69 10.777 14.906 3.625 1.00 40.21 H new ATOM 1023 N THR A 70 8.428 13.600 4.146 1.00 24.12 N ATOM 1024 CA THR A 70 7.404 12.953 4.880 1.00 53.24 C ATOM 1025 C THR A 70 7.924 12.391 6.222 1.00 70.00 C ATOM 1026 O THR A 70 9.077 11.948 6.339 1.00 22.10 O ATOM 1027 CB THR A 70 6.860 11.818 4.015 1.00 52.22 C ATOM 1028 OG1 THR A 70 6.614 12.325 2.689 1.00 63.20 O ATOM 1029 CG2 THR A 70 5.580 11.274 4.579 1.00 73.22 C ATOM 0 H THR A 70 8.873 12.996 3.455 1.00 24.12 H new ATOM 0 HA THR A 70 6.623 13.675 5.120 1.00 53.24 H new ATOM 0 HB THR A 70 7.594 11.012 3.991 1.00 52.22 H new ATOM 0 HG1 THR A 70 7.416 12.204 2.139 1.00 63.20 H new ATOM 0 HG21 THR A 70 5.216 10.467 3.943 1.00 73.22 H new ATOM 0 HG22 THR A 70 5.759 10.891 5.584 1.00 73.22 H new ATOM 0 HG23 THR A 70 4.834 12.068 4.621 1.00 73.22 H new ATOM 1037 N THR A 71 7.087 12.458 7.222 1.00 3.14 N ATOM 1038 CA THR A 71 7.368 11.896 8.501 1.00 42.14 C ATOM 1039 C THR A 71 6.456 10.722 8.769 1.00 63.21 C ATOM 1040 O THR A 71 5.280 10.751 8.407 1.00 63.00 O ATOM 1041 CB THR A 71 7.191 12.937 9.611 1.00 31.25 C ATOM 1042 OG1 THR A 71 6.010 13.727 9.376 1.00 24.33 O ATOM 1043 CG2 THR A 71 8.399 13.818 9.718 1.00 53.03 C ATOM 0 H THR A 71 6.177 12.914 7.162 1.00 3.14 H new ATOM 0 HA THR A 71 8.405 11.560 8.496 1.00 42.14 H new ATOM 0 HB THR A 71 7.074 12.408 10.557 1.00 31.25 H new ATOM 0 HG1 THR A 71 5.909 14.386 10.094 1.00 24.33 H new ATOM 0 HG21 THR A 71 8.248 14.548 10.513 1.00 53.03 H new ATOM 0 HG22 THR A 71 9.274 13.209 9.946 1.00 53.03 H new ATOM 0 HG23 THR A 71 8.555 14.338 8.773 1.00 53.03 H new ATOM 1051 N VAL A 72 6.991 9.702 9.375 1.00 40.33 N ATOM 1052 CA VAL A 72 6.222 8.548 9.761 1.00 45.13 C ATOM 1053 C VAL A 72 6.220 8.509 11.276 1.00 50.31 C ATOM 1054 O VAL A 72 7.274 8.579 11.911 1.00 51.41 O ATOM 1055 CB VAL A 72 6.773 7.224 9.148 1.00 54.43 C ATOM 1056 CG1 VAL A 72 6.743 7.305 7.627 1.00 2.31 C ATOM 1057 CG2 VAL A 72 8.187 6.955 9.623 1.00 32.42 C ATOM 0 H VAL A 72 7.980 9.644 9.618 1.00 40.33 H new ATOM 0 HA VAL A 72 5.207 8.632 9.373 1.00 45.13 H new ATOM 0 HB VAL A 72 6.138 6.402 9.479 1.00 54.43 H new ATOM 0 HG11 VAL A 72 7.129 6.377 7.206 1.00 2.31 H new ATOM 0 HG12 VAL A 72 5.717 7.457 7.291 1.00 2.31 H new ATOM 0 HG13 VAL A 72 7.361 8.139 7.295 1.00 2.31 H new ATOM 0 HG21 VAL A 72 8.549 6.026 9.182 1.00 32.42 H new ATOM 0 HG22 VAL A 72 8.835 7.777 9.320 1.00 32.42 H new ATOM 0 HG23 VAL A 72 8.195 6.868 10.709 1.00 32.42 H new ATOM 1067 N ASN A 73 5.042 8.557 11.837 1.00 43.42 N ATOM 1068 CA ASN A 73 4.820 8.622 13.284 1.00 51.33 C ATOM 1069 C ASN A 73 5.437 9.898 13.845 1.00 23.45 C ATOM 1070 O ASN A 73 5.733 9.997 15.030 1.00 52.01 O ATOM 1071 CB ASN A 73 5.388 7.391 13.991 1.00 62.54 C ATOM 1072 CG ASN A 73 4.335 6.651 14.774 1.00 63.23 C ATOM 1073 OD1 ASN A 73 3.673 5.743 14.122 1.00 14.41 O flip ATOM 1074 ND2 ASN A 73 4.110 6.909 15.963 1.00 70.35 N flip ATOM 0 H ASN A 73 4.176 8.553 11.298 1.00 43.42 H new ATOM 0 HA ASN A 73 3.745 8.636 13.466 1.00 51.33 H new ATOM 0 HB2 ASN A 73 5.828 6.721 13.253 1.00 62.54 H new ATOM 0 HB3 ASN A 73 6.190 7.697 14.662 1.00 62.54 H new ATOM 0 HD21 ASN A 73 4.652 7.630 16.440 1.00 70.35 H new ATOM 0 HD22 ASN A 73 3.383 6.401 16.466 1.00 70.35 H new ATOM 1081 N ASN A 74 5.570 10.895 12.945 1.00 1.31 N ATOM 1082 CA ASN A 74 6.176 12.208 13.208 1.00 42.45 C ATOM 1083 C ASN A 74 7.694 12.163 13.185 1.00 44.44 C ATOM 1084 O ASN A 74 8.347 13.166 13.437 1.00 25.14 O ATOM 1085 CB ASN A 74 5.651 12.911 14.487 1.00 13.45 C ATOM 1086 CG ASN A 74 4.212 13.383 14.367 1.00 21.00 C ATOM 1087 OD1 ASN A 74 3.948 14.491 13.899 1.00 4.42 O ATOM 1088 ND2 ASN A 74 3.285 12.580 14.811 1.00 33.42 N ATOM 0 H ASN A 74 5.245 10.800 11.983 1.00 1.31 H new ATOM 0 HA ASN A 74 5.847 12.829 12.375 1.00 42.45 H new ATOM 0 HB2 ASN A 74 5.731 12.224 15.330 1.00 13.45 H new ATOM 0 HB3 ASN A 74 6.289 13.766 14.711 1.00 13.45 H new ATOM 0 HD21 ASN A 74 2.306 12.863 14.777 1.00 33.42 H new ATOM 0 HD22 ASN A 74 3.539 11.669 15.192 1.00 33.42 H new ATOM 1095 N ALA A 75 8.251 11.025 12.836 1.00 21.31 N ATOM 1096 CA ALA A 75 9.686 10.880 12.739 1.00 54.34 C ATOM 1097 C ALA A 75 10.119 10.939 11.272 1.00 13.31 C ATOM 1098 O ALA A 75 9.544 10.245 10.420 1.00 62.32 O ATOM 1099 CB ALA A 75 10.134 9.571 13.372 1.00 31.10 C ATOM 0 H ALA A 75 7.726 10.179 12.613 1.00 21.31 H new ATOM 0 HA ALA A 75 10.158 11.700 13.279 1.00 54.34 H new ATOM 0 HB1 ALA A 75 11.217 9.479 13.290 1.00 31.10 H new ATOM 0 HB2 ALA A 75 9.848 9.559 14.424 1.00 31.10 H new ATOM 0 HB3 ALA A 75 9.659 8.736 12.857 1.00 31.10 H new ATOM 1105 N PRO A 76 11.084 11.805 10.936 1.00 51.22 N ATOM 1106 CA PRO A 76 11.601 11.912 9.570 1.00 54.23 C ATOM 1107 C PRO A 76 12.426 10.683 9.178 1.00 20.50 C ATOM 1108 O PRO A 76 13.334 10.262 9.910 1.00 22.31 O ATOM 1109 CB PRO A 76 12.480 13.168 9.605 1.00 12.52 C ATOM 1110 CG PRO A 76 12.853 13.347 11.040 1.00 22.13 C ATOM 1111 CD PRO A 76 11.732 12.766 11.854 1.00 1.03 C ATOM 0 HA PRO A 76 10.801 11.972 8.832 1.00 54.23 H new ATOM 0 HB2 PRO A 76 13.365 13.046 8.981 1.00 12.52 H new ATOM 0 HB3 PRO A 76 11.940 14.037 9.227 1.00 12.52 H new ATOM 0 HG2 PRO A 76 13.793 12.842 11.261 1.00 22.13 H new ATOM 0 HG3 PRO A 76 12.995 14.402 11.274 1.00 22.13 H new ATOM 0 HD2 PRO A 76 12.105 12.272 12.751 1.00 1.03 H new ATOM 0 HD3 PRO A 76 11.035 13.537 12.181 1.00 1.03 H new ATOM 1119 N VAL A 77 12.093 10.092 8.058 1.00 53.04 N ATOM 1120 CA VAL A 77 12.783 8.916 7.555 1.00 44.40 C ATOM 1121 C VAL A 77 12.870 9.011 6.057 1.00 55.21 C ATOM 1122 O VAL A 77 12.210 9.851 5.454 1.00 64.42 O ATOM 1123 CB VAL A 77 12.042 7.582 7.903 1.00 43.11 C ATOM 1124 CG1 VAL A 77 11.971 7.331 9.409 1.00 35.25 C ATOM 1125 CG2 VAL A 77 10.651 7.569 7.287 1.00 1.41 C ATOM 0 H VAL A 77 11.330 10.411 7.460 1.00 53.04 H new ATOM 0 HA VAL A 77 13.765 8.894 8.027 1.00 44.40 H new ATOM 0 HB VAL A 77 12.626 6.768 7.474 1.00 43.11 H new ATOM 0 HG11 VAL A 77 11.448 6.394 9.597 1.00 35.25 H new ATOM 0 HG12 VAL A 77 12.980 7.271 9.816 1.00 35.25 H new ATOM 0 HG13 VAL A 77 11.434 8.149 9.889 1.00 35.25 H new ATOM 0 HG21 VAL A 77 10.150 6.634 7.539 1.00 1.41 H new ATOM 0 HG22 VAL A 77 10.073 8.407 7.676 1.00 1.41 H new ATOM 0 HG23 VAL A 77 10.732 7.656 6.204 1.00 1.41 H new ATOM 1135 N GLN A 78 13.679 8.187 5.468 1.00 30.10 N ATOM 1136 CA GLN A 78 13.762 8.110 4.025 1.00 12.33 C ATOM 1137 C GLN A 78 13.077 6.833 3.585 1.00 41.20 C ATOM 1138 O GLN A 78 12.489 6.741 2.501 1.00 50.14 O ATOM 1139 CB GLN A 78 15.217 8.030 3.602 1.00 20.24 C ATOM 1140 CG GLN A 78 16.091 9.142 4.131 1.00 1.34 C ATOM 1141 CD GLN A 78 17.554 8.934 3.810 1.00 51.31 C ATOM 1142 OE1 GLN A 78 18.297 9.895 3.645 1.00 12.30 O ATOM 1143 NE2 GLN A 78 17.997 7.687 3.747 1.00 65.42 N ATOM 0 H GLN A 78 14.302 7.548 5.962 1.00 30.10 H new ATOM 0 HA GLN A 78 13.294 8.988 3.580 1.00 12.33 H new ATOM 0 HB2 GLN A 78 15.626 7.076 3.935 1.00 20.24 H new ATOM 0 HB3 GLN A 78 15.265 8.035 2.513 1.00 20.24 H new ATOM 0 HG2 GLN A 78 15.761 10.091 3.708 1.00 1.34 H new ATOM 0 HG3 GLN A 78 15.967 9.214 5.211 1.00 1.34 H new ATOM 0 HE21 GLN A 78 17.353 6.909 3.889 1.00 65.42 H new ATOM 0 HE22 GLN A 78 18.982 7.505 3.557 1.00 65.42 H new ATOM 1152 N GLU A 79 13.174 5.857 4.443 1.00 1.35 N ATOM 1153 CA GLU A 79 12.718 4.530 4.209 1.00 40.55 C ATOM 1154 C GLU A 79 11.944 4.008 5.430 1.00 2.52 C ATOM 1155 O GLU A 79 12.397 4.131 6.581 1.00 33.31 O ATOM 1156 CB GLU A 79 13.933 3.618 3.851 1.00 45.02 C ATOM 1157 CG GLU A 79 15.088 3.550 4.897 1.00 25.43 C ATOM 1158 CD GLU A 79 15.787 4.883 5.188 1.00 63.32 C ATOM 1159 OE1 GLU A 79 15.319 5.630 6.095 1.00 41.34 O ATOM 1160 OE2 GLU A 79 16.787 5.216 4.523 1.00 52.43 O ATOM 0 H GLU A 79 13.594 5.978 5.365 1.00 1.35 H new ATOM 0 HA GLU A 79 12.029 4.520 3.365 1.00 40.55 H new ATOM 0 HB2 GLU A 79 13.563 2.606 3.686 1.00 45.02 H new ATOM 0 HB3 GLU A 79 14.350 3.962 2.905 1.00 45.02 H new ATOM 0 HG2 GLU A 79 14.687 3.157 5.831 1.00 25.43 H new ATOM 0 HG3 GLU A 79 15.833 2.837 4.545 1.00 25.43 H new ATOM 1167 N TRP A 80 10.776 3.481 5.180 1.00 40.52 N ATOM 1168 CA TRP A 80 9.897 2.963 6.208 1.00 40.42 C ATOM 1169 C TRP A 80 9.013 1.900 5.594 1.00 63.01 C ATOM 1170 O TRP A 80 8.836 1.876 4.390 1.00 75.14 O ATOM 1171 CB TRP A 80 9.052 4.116 6.821 1.00 4.42 C ATOM 1172 CG TRP A 80 8.113 3.717 7.899 1.00 34.52 C ATOM 1173 CD1 TRP A 80 6.773 3.489 7.779 1.00 51.44 C ATOM 1174 CD2 TRP A 80 8.435 3.527 9.265 1.00 51.00 C ATOM 1175 NE1 TRP A 80 6.252 3.157 8.993 1.00 0.43 N ATOM 1176 CE2 TRP A 80 7.251 3.173 9.921 1.00 54.33 C ATOM 1177 CE3 TRP A 80 9.618 3.620 10.000 1.00 51.10 C ATOM 1178 CZ2 TRP A 80 7.209 2.916 11.268 1.00 5.53 C ATOM 1179 CZ3 TRP A 80 9.571 3.362 11.347 1.00 64.54 C ATOM 1180 CH2 TRP A 80 8.375 3.014 11.967 1.00 2.40 C ATOM 0 H TRP A 80 10.395 3.395 4.238 1.00 40.52 H new ATOM 0 HA TRP A 80 10.480 2.520 7.015 1.00 40.42 H new ATOM 0 HB2 TRP A 80 9.732 4.871 7.216 1.00 4.42 H new ATOM 0 HB3 TRP A 80 8.481 4.589 6.022 1.00 4.42 H new ATOM 0 HD1 TRP A 80 6.210 3.561 6.860 1.00 51.44 H new ATOM 0 HE1 TRP A 80 5.274 2.933 9.178 1.00 0.43 H new ATOM 0 HE3 TRP A 80 10.548 3.888 9.520 1.00 51.10 H new ATOM 0 HZ2 TRP A 80 6.285 2.646 11.757 1.00 5.53 H new ATOM 0 HZ3 TRP A 80 10.475 3.430 11.934 1.00 64.54 H new ATOM 0 HH2 TRP A 80 8.370 2.817 13.029 1.00 2.40 H new ATOM 1191 N GLN A 81 8.559 0.971 6.363 1.00 55.13 N ATOM 1192 CA GLN A 81 7.620 0.014 5.857 1.00 5.21 C ATOM 1193 C GLN A 81 6.302 0.211 6.586 1.00 40.14 C ATOM 1194 O GLN A 81 6.274 0.279 7.811 1.00 74.22 O ATOM 1195 CB GLN A 81 8.194 -1.425 5.878 1.00 2.30 C ATOM 1196 CG GLN A 81 8.550 -1.997 7.240 1.00 25.03 C ATOM 1197 CD GLN A 81 7.380 -2.663 7.921 1.00 42.44 C ATOM 1198 OE1 GLN A 81 6.496 -3.205 7.264 1.00 65.44 O ATOM 1199 NE2 GLN A 81 7.368 -2.642 9.221 1.00 53.25 N ATOM 0 H GLN A 81 8.818 0.849 7.342 1.00 55.13 H new ATOM 0 HA GLN A 81 7.422 0.178 4.798 1.00 5.21 H new ATOM 0 HB2 GLN A 81 7.467 -2.088 5.410 1.00 2.30 H new ATOM 0 HB3 GLN A 81 9.089 -1.444 5.256 1.00 2.30 H new ATOM 0 HG2 GLN A 81 9.357 -2.721 7.125 1.00 25.03 H new ATOM 0 HG3 GLN A 81 8.928 -1.197 7.877 1.00 25.03 H new ATOM 0 HE21 GLN A 81 8.122 -2.181 9.731 1.00 53.25 H new ATOM 0 HE22 GLN A 81 6.605 -3.087 9.731 1.00 53.25 H new ATOM 1208 N LEU A 82 5.241 0.388 5.817 1.00 32.45 N ATOM 1209 CA LEU A 82 3.925 0.766 6.351 1.00 4.32 C ATOM 1210 C LEU A 82 3.386 -0.188 7.392 1.00 11.10 C ATOM 1211 O LEU A 82 3.604 -1.393 7.331 1.00 75.34 O ATOM 1212 CB LEU A 82 2.887 0.902 5.243 1.00 43.30 C ATOM 1213 CG LEU A 82 3.188 1.916 4.150 1.00 65.31 C ATOM 1214 CD1 LEU A 82 1.989 2.092 3.232 1.00 25.40 C ATOM 1215 CD2 LEU A 82 3.580 3.224 4.757 1.00 72.13 C ATOM 0 H LEU A 82 5.258 0.276 4.803 1.00 32.45 H new ATOM 0 HA LEU A 82 4.096 1.728 6.834 1.00 4.32 H new ATOM 0 HB2 LEU A 82 2.757 -0.074 4.776 1.00 43.30 H new ATOM 0 HB3 LEU A 82 1.933 1.166 5.700 1.00 43.30 H new ATOM 0 HG LEU A 82 4.020 1.543 3.552 1.00 65.31 H new ATOM 0 HD11 LEU A 82 2.227 2.822 2.458 1.00 25.40 H new ATOM 0 HD12 LEU A 82 1.743 1.137 2.767 1.00 25.40 H new ATOM 0 HD13 LEU A 82 1.135 2.444 3.812 1.00 25.40 H new ATOM 0 HD21 LEU A 82 3.793 3.943 3.966 1.00 72.13 H new ATOM 0 HD22 LEU A 82 2.764 3.597 5.376 1.00 72.13 H new ATOM 0 HD23 LEU A 82 4.469 3.088 5.373 1.00 72.13 H new ATOM 1227 N ALA A 83 2.655 0.362 8.315 1.00 32.52 N ATOM 1228 CA ALA A 83 2.030 -0.377 9.360 1.00 1.21 C ATOM 1229 C ALA A 83 0.665 0.215 9.597 1.00 64.33 C ATOM 1230 O ALA A 83 0.469 1.426 9.395 1.00 74.44 O ATOM 1231 CB ALA A 83 2.863 -0.305 10.623 1.00 30.42 C ATOM 0 H ALA A 83 2.475 1.365 8.359 1.00 32.52 H new ATOM 0 HA ALA A 83 1.940 -1.426 9.078 1.00 1.21 H new ATOM 0 HB1 ALA A 83 2.374 -0.874 11.414 1.00 30.42 H new ATOM 0 HB2 ALA A 83 3.851 -0.724 10.432 1.00 30.42 H new ATOM 0 HB3 ALA A 83 2.964 0.735 10.933 1.00 30.42 H new ATOM 1237 N ASP A 84 -0.275 -0.612 9.985 1.00 22.40 N ATOM 1238 CA ASP A 84 -1.634 -0.165 10.247 1.00 54.12 C ATOM 1239 C ASP A 84 -1.673 0.773 11.430 1.00 44.41 C ATOM 1240 O ASP A 84 -1.155 0.459 12.508 1.00 31.42 O ATOM 1241 CB ASP A 84 -2.579 -1.347 10.480 1.00 34.33 C ATOM 1242 CG ASP A 84 -4.000 -0.914 10.802 1.00 4.52 C ATOM 1243 OD1 ASP A 84 -4.753 -0.520 9.887 1.00 22.32 O ATOM 1244 OD2 ASP A 84 -4.398 -0.974 11.979 1.00 71.03 O ATOM 0 H ASP A 84 -0.127 -1.611 10.129 1.00 22.40 H new ATOM 0 HA ASP A 84 -1.975 0.372 9.362 1.00 54.12 H new ATOM 0 HB2 ASP A 84 -2.589 -1.978 9.591 1.00 34.33 H new ATOM 0 HB3 ASP A 84 -2.196 -1.956 11.299 1.00 34.33 H new ATOM 1249 N GLY A 85 -2.220 1.929 11.202 1.00 15.44 N ATOM 1250 CA GLY A 85 -2.378 2.913 12.221 1.00 35.22 C ATOM 1251 C GLY A 85 -1.194 3.845 12.330 1.00 24.11 C ATOM 1252 O GLY A 85 -1.093 4.611 13.297 1.00 70.05 O ATOM 0 H GLY A 85 -2.573 2.216 10.289 1.00 15.44 H new ATOM 0 HA2 GLY A 85 -3.276 3.497 12.018 1.00 35.22 H new ATOM 0 HA3 GLY A 85 -2.531 2.415 13.179 1.00 35.22 H new ATOM 1256 N ASP A 86 -0.285 3.794 11.363 1.00 12.31 N ATOM 1257 CA ASP A 86 0.872 4.681 11.417 1.00 10.35 C ATOM 1258 C ASP A 86 0.476 6.036 10.846 1.00 45.40 C ATOM 1259 O ASP A 86 -0.482 6.125 10.049 1.00 3.52 O ATOM 1260 CB ASP A 86 2.094 4.118 10.670 1.00 64.25 C ATOM 1261 CG ASP A 86 3.387 4.570 11.321 1.00 50.14 C ATOM 1262 OD1 ASP A 86 3.681 5.774 11.320 1.00 51.54 O ATOM 1263 OD2 ASP A 86 4.094 3.720 11.901 1.00 4.53 O ATOM 0 H ASP A 86 -0.321 3.170 10.557 1.00 12.31 H new ATOM 0 HA ASP A 86 1.173 4.779 12.460 1.00 10.35 H new ATOM 0 HB2 ASP A 86 2.049 3.029 10.661 1.00 64.25 H new ATOM 0 HB3 ASP A 86 2.072 4.446 9.631 1.00 64.25 H new ATOM 1268 N VAL A 87 1.189 7.063 11.221 1.00 11.11 N ATOM 1269 CA VAL A 87 0.836 8.415 10.848 1.00 72.14 C ATOM 1270 C VAL A 87 1.871 8.957 9.895 1.00 12.31 C ATOM 1271 O VAL A 87 3.007 9.188 10.270 1.00 72.25 O ATOM 1272 CB VAL A 87 0.756 9.344 12.092 1.00 74.41 C ATOM 1273 CG1 VAL A 87 0.315 10.751 11.706 1.00 31.04 C ATOM 1274 CG2 VAL A 87 -0.180 8.764 13.136 1.00 21.42 C ATOM 0 H VAL A 87 2.031 6.992 11.793 1.00 11.11 H new ATOM 0 HA VAL A 87 -0.145 8.390 10.373 1.00 72.14 H new ATOM 0 HB VAL A 87 1.756 9.410 12.520 1.00 74.41 H new ATOM 0 HG11 VAL A 87 0.269 11.376 12.598 1.00 31.04 H new ATOM 0 HG12 VAL A 87 1.030 11.176 11.002 1.00 31.04 H new ATOM 0 HG13 VAL A 87 -0.670 10.709 11.241 1.00 31.04 H new ATOM 0 HG21 VAL A 87 -0.221 9.430 13.998 1.00 21.42 H new ATOM 0 HG22 VAL A 87 -1.178 8.658 12.711 1.00 21.42 H new ATOM 0 HG23 VAL A 87 0.186 7.786 13.450 1.00 21.42 H new ATOM 1284 N ILE A 88 1.475 9.182 8.695 1.00 13.11 N ATOM 1285 CA ILE A 88 2.365 9.645 7.682 1.00 51.21 C ATOM 1286 C ILE A 88 2.019 11.090 7.336 1.00 70.32 C ATOM 1287 O ILE A 88 0.903 11.383 6.916 1.00 55.55 O ATOM 1288 CB ILE A 88 2.252 8.721 6.450 1.00 42.41 C ATOM 1289 CG1 ILE A 88 2.713 7.314 6.835 1.00 20.02 C ATOM 1290 CG2 ILE A 88 3.035 9.247 5.264 1.00 71.30 C ATOM 1291 CD1 ILE A 88 2.678 6.323 5.710 1.00 63.11 C ATOM 0 H ILE A 88 0.514 9.050 8.380 1.00 13.11 H new ATOM 0 HA ILE A 88 3.397 9.618 8.033 1.00 51.21 H new ATOM 0 HB ILE A 88 1.208 8.691 6.137 1.00 42.41 H new ATOM 0 HG12 ILE A 88 3.730 7.371 7.222 1.00 20.02 H new ATOM 0 HG13 ILE A 88 2.084 6.948 7.646 1.00 20.02 H new ATOM 0 HG21 ILE A 88 2.924 8.563 4.423 1.00 71.30 H new ATOM 0 HG22 ILE A 88 2.656 10.230 4.985 1.00 71.30 H new ATOM 0 HG23 ILE A 88 4.089 9.327 5.530 1.00 71.30 H new ATOM 0 HD11 ILE A 88 3.020 5.352 6.069 1.00 63.11 H new ATOM 0 HD12 ILE A 88 1.658 6.233 5.336 1.00 63.11 H new ATOM 0 HD13 ILE A 88 3.330 6.663 4.906 1.00 63.11 H new ATOM 1303 N ARG A 89 2.940 11.997 7.561 1.00 2.00 N ATOM 1304 CA ARG A 89 2.672 13.389 7.304 1.00 2.20 C ATOM 1305 C ARG A 89 3.628 13.949 6.298 1.00 55.32 C ATOM 1306 O ARG A 89 4.840 13.883 6.476 1.00 21.13 O ATOM 1307 CB ARG A 89 2.723 14.220 8.576 1.00 45.42 C ATOM 1308 CG ARG A 89 1.775 13.753 9.649 1.00 51.23 C ATOM 1309 CD ARG A 89 1.727 14.732 10.804 1.00 31.15 C ATOM 1310 NE ARG A 89 1.094 15.996 10.407 1.00 24.30 N ATOM 1311 CZ ARG A 89 1.624 17.216 10.485 1.00 22.32 C ATOM 1312 NH1 ARG A 89 2.863 17.401 10.949 1.00 45.21 N ATOM 1313 NH2 ARG A 89 0.898 18.249 10.085 1.00 54.42 N ATOM 0 H ARG A 89 3.874 11.797 7.919 1.00 2.00 H new ATOM 0 HA ARG A 89 1.661 13.442 6.900 1.00 2.20 H new ATOM 0 HB2 ARG A 89 3.739 14.202 8.970 1.00 45.42 H new ATOM 0 HB3 ARG A 89 2.495 15.257 8.330 1.00 45.42 H new ATOM 0 HG2 ARG A 89 0.776 13.634 9.229 1.00 51.23 H new ATOM 0 HG3 ARG A 89 2.087 12.774 10.012 1.00 51.23 H new ATOM 0 HD2 ARG A 89 1.175 14.291 11.634 1.00 31.15 H new ATOM 0 HD3 ARG A 89 2.738 14.926 11.161 1.00 31.15 H new ATOM 0 HE ARG A 89 0.148 15.933 10.031 1.00 24.30 H new ATOM 0 HH11 ARG A 89 3.419 16.601 11.251 1.00 45.21 H new ATOM 0 HH12 ARG A 89 3.253 18.342 11.002 1.00 45.21 H new ATOM 0 HH21 ARG A 89 -0.045 18.101 9.727 1.00 54.42 H new ATOM 0 HH22 ARG A 89 1.282 19.192 10.135 1.00 54.42 H new ATOM 1327 N LEU A 90 3.084 14.480 5.261 1.00 24.13 N ATOM 1328 CA LEU A 90 3.835 15.119 4.216 1.00 63.12 C ATOM 1329 C LEU A 90 3.298 16.514 4.009 1.00 54.35 C ATOM 1330 O LEU A 90 2.223 16.833 4.522 1.00 72.13 O ATOM 1331 CB LEU A 90 3.917 14.300 2.888 1.00 41.13 C ATOM 1332 CG LEU A 90 2.620 13.748 2.253 1.00 12.41 C ATOM 1333 CD1 LEU A 90 2.903 13.315 0.831 1.00 22.34 C ATOM 1334 CD2 LEU A 90 2.111 12.535 3.022 1.00 1.54 C ATOM 0 H LEU A 90 2.076 14.487 5.103 1.00 24.13 H new ATOM 0 HA LEU A 90 4.873 15.175 4.543 1.00 63.12 H new ATOM 0 HB2 LEU A 90 4.402 14.932 2.144 1.00 41.13 H new ATOM 0 HB3 LEU A 90 4.579 13.453 3.067 1.00 41.13 H new ATOM 0 HG LEU A 90 1.868 14.536 2.279 1.00 12.41 H new ATOM 0 HD11 LEU A 90 1.990 12.925 0.381 1.00 22.34 H new ATOM 0 HD12 LEU A 90 3.256 14.170 0.254 1.00 22.34 H new ATOM 0 HD13 LEU A 90 3.667 12.538 0.833 1.00 22.34 H new ATOM 0 HD21 LEU A 90 1.198 12.165 2.556 1.00 1.54 H new ATOM 0 HD22 LEU A 90 2.868 11.751 3.008 1.00 1.54 H new ATOM 0 HD23 LEU A 90 1.902 12.819 4.053 1.00 1.54 H new ATOM 1346 N GLY A 91 4.075 17.349 3.337 1.00 64.22 N ATOM 1347 CA GLY A 91 3.743 18.756 3.117 1.00 55.34 C ATOM 1348 C GLY A 91 2.290 19.041 2.755 1.00 34.52 C ATOM 1349 O GLY A 91 1.848 18.771 1.630 1.00 13.35 O ATOM 0 H GLY A 91 4.964 17.070 2.923 1.00 64.22 H new ATOM 0 HA2 GLY A 91 3.990 19.315 4.020 1.00 55.34 H new ATOM 0 HA3 GLY A 91 4.379 19.141 2.320 1.00 55.34 H new ATOM 1353 N HIS A 92 1.557 19.549 3.757 1.00 40.12 N ATOM 1354 CA HIS A 92 0.151 19.986 3.657 1.00 73.22 C ATOM 1355 C HIS A 92 -0.834 18.832 3.456 1.00 70.42 C ATOM 1356 O HIS A 92 -2.012 19.056 3.163 1.00 15.43 O ATOM 1357 CB HIS A 92 -0.045 21.077 2.580 1.00 4.01 C ATOM 1358 CG HIS A 92 0.760 22.324 2.823 1.00 54.33 C ATOM 1359 ND1 HIS A 92 1.278 23.116 1.823 1.00 0.02 N ATOM 1360 CD2 HIS A 92 1.133 22.907 3.986 1.00 25.14 C ATOM 1361 CE1 HIS A 92 1.940 24.123 2.394 1.00 20.44 C ATOM 1362 NE2 HIS A 92 1.882 24.045 3.710 1.00 12.31 N ATOM 0 H HIS A 92 1.939 19.672 4.695 1.00 40.12 H new ATOM 0 HA HIS A 92 -0.082 20.425 4.627 1.00 73.22 H new ATOM 0 HB2 HIS A 92 0.225 20.666 1.607 1.00 4.01 H new ATOM 0 HB3 HIS A 92 -1.101 21.342 2.533 1.00 4.01 H new ATOM 0 HD1 HIS A 92 1.174 22.960 0.820 1.00 0.02 H new ATOM 0 HD2 HIS A 92 0.887 22.545 4.973 1.00 25.14 H new ATOM 0 HE1 HIS A 92 2.456 24.901 1.851 1.00 20.44 H new ATOM 1370 N SER A 93 -0.384 17.614 3.637 1.00 3.22 N ATOM 1371 CA SER A 93 -1.245 16.462 3.497 1.00 64.40 C ATOM 1372 C SER A 93 -0.805 15.335 4.419 1.00 13.51 C ATOM 1373 O SER A 93 0.294 14.803 4.297 1.00 23.54 O ATOM 1374 CB SER A 93 -1.273 15.988 2.048 1.00 41.30 C ATOM 1375 OG SER A 93 -1.740 17.026 1.188 1.00 20.10 O ATOM 0 H SER A 93 0.581 17.393 3.883 1.00 3.22 H new ATOM 0 HA SER A 93 -2.254 16.758 3.785 1.00 64.40 H new ATOM 0 HB2 SER A 93 -0.274 15.677 1.742 1.00 41.30 H new ATOM 0 HB3 SER A 93 -1.920 15.115 1.958 1.00 41.30 H new ATOM 0 HG SER A 93 -1.750 16.704 0.262 1.00 20.10 H new ATOM 1381 N GLU A 94 -1.632 15.003 5.350 1.00 45.11 N ATOM 1382 CA GLU A 94 -1.346 13.925 6.252 1.00 24.33 C ATOM 1383 C GLU A 94 -2.283 12.753 6.023 1.00 5.13 C ATOM 1384 O GLU A 94 -3.464 12.931 5.685 1.00 1.14 O ATOM 1385 CB GLU A 94 -1.277 14.402 7.701 1.00 54.42 C ATOM 1386 CG GLU A 94 -2.435 15.249 8.161 1.00 65.25 C ATOM 1387 CD GLU A 94 -2.144 15.868 9.495 1.00 63.30 C ATOM 1388 OE1 GLU A 94 -1.418 16.880 9.543 1.00 22.22 O ATOM 1389 OE2 GLU A 94 -2.594 15.339 10.526 1.00 2.34 O ATOM 0 H GLU A 94 -2.526 15.466 5.513 1.00 45.11 H new ATOM 0 HA GLU A 94 -0.347 13.547 6.033 1.00 24.33 H new ATOM 0 HB2 GLU A 94 -1.208 13.529 8.350 1.00 54.42 H new ATOM 0 HB3 GLU A 94 -0.357 14.972 7.834 1.00 54.42 H new ATOM 0 HG2 GLU A 94 -2.634 16.031 7.428 1.00 65.25 H new ATOM 0 HG3 GLU A 94 -3.335 14.638 8.227 1.00 65.25 H new ATOM 1396 N ILE A 95 -1.743 11.573 6.166 1.00 44.12 N ATOM 1397 CA ILE A 95 -2.417 10.350 5.822 1.00 14.42 C ATOM 1398 C ILE A 95 -2.174 9.255 6.884 1.00 43.33 C ATOM 1399 O ILE A 95 -1.091 9.166 7.474 1.00 73.45 O ATOM 1400 CB ILE A 95 -1.988 9.930 4.337 1.00 23.34 C ATOM 1401 CG1 ILE A 95 -2.443 8.515 3.881 1.00 42.25 C ATOM 1402 CG2 ILE A 95 -0.498 10.120 4.095 1.00 52.45 C ATOM 1403 CD1 ILE A 95 -1.598 7.349 4.392 1.00 13.33 C ATOM 0 H ILE A 95 -0.802 11.432 6.533 1.00 44.12 H new ATOM 0 HA ILE A 95 -3.497 10.496 5.822 1.00 14.42 H new ATOM 0 HB ILE A 95 -2.544 10.624 3.707 1.00 23.34 H new ATOM 0 HG12 ILE A 95 -3.472 8.363 4.205 1.00 42.25 H new ATOM 0 HG13 ILE A 95 -2.445 8.488 2.791 1.00 42.25 H new ATOM 0 HG21 ILE A 95 -0.254 9.822 3.075 1.00 52.45 H new ATOM 0 HG22 ILE A 95 -0.237 11.168 4.239 1.00 52.45 H new ATOM 0 HG23 ILE A 95 0.066 9.506 4.797 1.00 52.45 H new ATOM 0 HD11 ILE A 95 -2.005 6.411 4.013 1.00 13.33 H new ATOM 0 HD12 ILE A 95 -0.571 7.465 4.046 1.00 13.33 H new ATOM 0 HD13 ILE A 95 -1.615 7.338 5.482 1.00 13.33 H new ATOM 1415 N ILE A 96 -3.203 8.466 7.143 1.00 23.40 N ATOM 1416 CA ILE A 96 -3.154 7.363 8.083 1.00 12.21 C ATOM 1417 C ILE A 96 -3.259 6.067 7.293 1.00 3.42 C ATOM 1418 O ILE A 96 -4.105 5.936 6.400 1.00 42.21 O ATOM 1419 CB ILE A 96 -4.329 7.431 9.106 1.00 0.20 C ATOM 1420 CG1 ILE A 96 -4.327 8.771 9.857 1.00 51.13 C ATOM 1421 CG2 ILE A 96 -4.282 6.260 10.099 1.00 74.34 C ATOM 1422 CD1 ILE A 96 -3.089 9.038 10.688 1.00 11.33 C ATOM 0 H ILE A 96 -4.113 8.578 6.696 1.00 23.40 H new ATOM 0 HA ILE A 96 -2.219 7.415 8.641 1.00 12.21 H new ATOM 0 HB ILE A 96 -5.257 7.353 8.540 1.00 0.20 H new ATOM 0 HG12 ILE A 96 -4.440 9.577 9.132 1.00 51.13 H new ATOM 0 HG13 ILE A 96 -5.199 8.805 10.510 1.00 51.13 H new ATOM 0 HG21 ILE A 96 -5.116 6.341 10.796 1.00 74.34 H new ATOM 0 HG22 ILE A 96 -4.354 5.318 9.555 1.00 74.34 H new ATOM 0 HG23 ILE A 96 -3.343 6.289 10.652 1.00 74.34 H new ATOM 0 HD11 ILE A 96 -3.182 10.007 11.179 1.00 11.33 H new ATOM 0 HD12 ILE A 96 -2.982 8.258 11.442 1.00 11.33 H new ATOM 0 HD13 ILE A 96 -2.211 9.042 10.042 1.00 11.33 H new ATOM 1434 N VAL A 97 -2.405 5.138 7.591 1.00 62.05 N ATOM 1435 CA VAL A 97 -2.390 3.871 6.890 1.00 4.15 C ATOM 1436 C VAL A 97 -3.280 2.851 7.570 1.00 50.54 C ATOM 1437 O VAL A 97 -3.173 2.625 8.760 1.00 1.23 O ATOM 1438 CB VAL A 97 -0.949 3.318 6.744 1.00 33.45 C ATOM 1439 CG1 VAL A 97 -0.954 1.880 6.255 1.00 12.00 C ATOM 1440 CG2 VAL A 97 -0.190 4.167 5.765 1.00 12.10 C ATOM 0 H VAL A 97 -1.698 5.225 8.321 1.00 62.05 H new ATOM 0 HA VAL A 97 -2.785 4.056 5.891 1.00 4.15 H new ATOM 0 HB VAL A 97 -0.473 3.346 7.724 1.00 33.45 H new ATOM 0 HG11 VAL A 97 0.072 1.523 6.164 1.00 12.00 H new ATOM 0 HG12 VAL A 97 -1.493 1.255 6.967 1.00 12.00 H new ATOM 0 HG13 VAL A 97 -1.444 1.828 5.283 1.00 12.00 H new ATOM 0 HG21 VAL A 97 0.824 3.782 5.659 1.00 12.10 H new ATOM 0 HG22 VAL A 97 -0.691 4.142 4.797 1.00 12.10 H new ATOM 0 HG23 VAL A 97 -0.152 5.194 6.127 1.00 12.10 H new ATOM 1450 N ARG A 98 -4.165 2.276 6.817 1.00 63.32 N ATOM 1451 CA ARG A 98 -5.025 1.233 7.296 1.00 40.45 C ATOM 1452 C ARG A 98 -4.735 -0.025 6.525 1.00 22.43 C ATOM 1453 O ARG A 98 -4.742 -0.024 5.300 1.00 53.23 O ATOM 1454 CB ARG A 98 -6.478 1.632 7.121 1.00 14.41 C ATOM 1455 CG ARG A 98 -6.917 2.799 7.986 1.00 31.22 C ATOM 1456 CD ARG A 98 -7.299 2.386 9.413 1.00 22.42 C ATOM 1457 NE ARG A 98 -6.226 1.825 10.258 1.00 60.23 N ATOM 1458 CZ ARG A 98 -5.984 2.265 11.505 1.00 10.41 C ATOM 1459 NH1 ARG A 98 -6.397 3.474 11.883 1.00 12.53 N ATOM 1460 NH2 ARG A 98 -5.289 1.527 12.351 1.00 22.02 N ATOM 0 H ARG A 98 -4.315 2.520 5.838 1.00 63.32 H new ATOM 0 HA ARG A 98 -4.843 1.064 8.357 1.00 40.45 H new ATOM 0 HB2 ARG A 98 -6.649 1.887 6.075 1.00 14.41 H new ATOM 0 HB3 ARG A 98 -7.108 0.771 7.346 1.00 14.41 H new ATOM 0 HG2 ARG A 98 -6.112 3.532 8.031 1.00 31.22 H new ATOM 0 HG3 ARG A 98 -7.770 3.290 7.517 1.00 31.22 H new ATOM 0 HD2 ARG A 98 -7.708 3.260 9.920 1.00 22.42 H new ATOM 0 HD3 ARG A 98 -8.100 1.650 9.350 1.00 22.42 H new ATOM 0 HE ARG A 98 -5.646 1.075 9.881 1.00 60.23 H new ATOM 0 HH11 ARG A 98 -6.899 4.070 11.225 1.00 12.53 H new ATOM 0 HH12 ARG A 98 -6.211 3.803 12.830 1.00 12.53 H new ATOM 0 HH21 ARG A 98 -4.932 0.617 12.060 1.00 22.02 H new ATOM 0 HH22 ARG A 98 -5.109 1.867 13.296 1.00 22.02 H new ATOM 1474 N MET A 99 -4.455 -1.071 7.219 1.00 42.43 N ATOM 1475 CA MET A 99 -4.151 -2.330 6.591 1.00 22.11 C ATOM 1476 C MET A 99 -5.218 -3.306 6.931 1.00 14.04 C ATOM 1477 O MET A 99 -5.447 -3.619 8.105 1.00 2.54 O ATOM 1478 CB MET A 99 -2.780 -2.867 7.001 1.00 3.02 C ATOM 1479 CG MET A 99 -1.630 -1.967 6.602 1.00 30.44 C ATOM 1480 SD MET A 99 -0.018 -2.547 7.192 1.00 75.44 S ATOM 1481 CE MET A 99 0.089 -4.166 6.423 1.00 42.20 C ATOM 0 H MET A 99 -4.427 -1.089 8.238 1.00 42.43 H new ATOM 0 HA MET A 99 -4.113 -2.176 5.513 1.00 22.11 H new ATOM 0 HB2 MET A 99 -2.763 -3.006 8.082 1.00 3.02 H new ATOM 0 HB3 MET A 99 -2.635 -3.849 6.551 1.00 3.02 H new ATOM 0 HG2 MET A 99 -1.603 -1.886 5.515 1.00 30.44 H new ATOM 0 HG3 MET A 99 -1.811 -0.965 6.991 1.00 30.44 H new ATOM 0 HE1 MET A 99 1.117 -4.525 6.472 1.00 42.20 H new ATOM 0 HE2 MET A 99 -0.564 -4.862 6.949 1.00 42.20 H new ATOM 0 HE3 MET A 99 -0.221 -4.095 5.380 1.00 42.20 H new ATOM 1491 N HIS A 100 -5.904 -3.739 5.941 1.00 35.24 N ATOM 1492 CA HIS A 100 -6.977 -4.667 6.122 1.00 1.15 C ATOM 1493 C HIS A 100 -6.515 -6.002 5.593 1.00 42.35 C ATOM 1494 O HIS A 100 -5.841 -6.731 6.332 1.00 35.21 O ATOM 1495 CB HIS A 100 -8.240 -4.209 5.368 1.00 24.01 C ATOM 1496 CG HIS A 100 -8.587 -2.757 5.536 1.00 52.12 C ATOM 1497 ND1 HIS A 100 -9.237 -2.224 6.623 1.00 52.13 N ATOM 1498 CD2 HIS A 100 -8.331 -1.722 4.716 1.00 64.33 C ATOM 1499 CE1 HIS A 100 -9.354 -0.913 6.436 1.00 22.13 C ATOM 1500 NE2 HIS A 100 -8.814 -0.549 5.280 1.00 75.14 N ATOM 1501 OXT HIS A 100 -6.788 -6.315 4.420 1.00 36.83 O ATOM 0 H HIS A 100 -5.743 -3.463 4.972 1.00 35.24 H new ATOM 0 HA HIS A 100 -7.236 -4.734 7.179 1.00 1.15 H new ATOM 0 HB2 HIS A 100 -8.106 -4.415 4.306 1.00 24.01 H new ATOM 0 HB3 HIS A 100 -9.084 -4.810 5.705 1.00 24.01 H new ATOM 0 HD2 HIS A 100 -7.826 -1.793 3.764 1.00 64.33 H new ATOM 0 HE1 HIS A 100 -9.826 -0.235 7.132 1.00 22.13 H new ATOM 0 HE2 HIS A 100 -8.764 0.392 4.889 1.00 75.14 H new