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 92 HIS : no HE2:sc= -2.79! C(o=-2.2!,f=-9!) USER MOD Set 1.2: A 93 SER OG : rot -69:sc= 0.632 USER MOD Set 2.1: A 10 THR OG1 : rot 146:sc= 2.18 USER MOD Set 2.2: A 22 GLN : amide:sc= 1.05 K(o=4.2,f=1.9) USER MOD Set 2.3: A 100 HIS : no HE2:sc= 0.99 K(o=4.2,f=0.33) USER MOD Single : A 7 THR OG1 : rot 41:sc= 0.0835 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0.343 K(o=0.34,f=-3.9!) USER MOD Single : A 17 SER OG : rot 84:sc= 1.26 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -1.81 K(o=-1.8,f=-1) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 37 GLN : amide:sc= 0.208 X(o=0.21,f=-0.019) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -2.16 K(o=-2.2,f=-3.1) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 65 ASN : amide:sc= 1.42 K(o=1.4,f=-9.4!) 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 K(o=0,f=-0.58) USER MOD Single : A 70 THR OG1 : rot 98:sc= 1.28 USER MOD Single : A 71 THR OG1 : rot 162:sc= -0.74 USER MOD Single : A 73 ASN : amide:sc= 1.95 K(o=2,f=-7.3!) USER MOD Single : A 74 ASN : amide:sc= -0.0956 K(o=-0.096,f=-0.96) USER MOD Single : A 78 GLN : amide:sc=-0.000532 K(o=-0.00053,f=-0.83) USER MOD Single : A 81 GLN : amide:sc= -0.766 K(o=-0.77,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.595 -9.069 2.565 1.00 75.12 N ATOM 63 CA THR A 7 -3.575 -7.814 3.208 1.00 53.13 C ATOM 64 C THR A 7 -3.886 -6.733 2.181 1.00 45.34 C ATOM 65 O THR A 7 -3.159 -6.555 1.209 1.00 53.12 O ATOM 66 CB THR A 7 -2.191 -7.571 3.854 1.00 2.25 C ATOM 67 OG1 THR A 7 -1.929 -8.616 4.821 1.00 3.21 O ATOM 68 CG2 THR A 7 -2.135 -6.211 4.543 1.00 31.02 C ATOM 0 HA THR A 7 -4.325 -7.788 3.998 1.00 53.13 H new ATOM 0 HB THR A 7 -1.434 -7.585 3.070 1.00 2.25 H new ATOM 0 HG1 THR A 7 -2.225 -9.478 4.460 1.00 3.21 H new ATOM 0 HG21 THR A 7 -1.150 -6.069 4.988 1.00 31.02 H new ATOM 0 HG22 THR A 7 -2.320 -5.425 3.811 1.00 31.02 H new ATOM 0 HG23 THR A 7 -2.895 -6.167 5.323 1.00 31.02 H new ATOM 76 N SER A 8 -4.978 -6.062 2.366 1.00 1.23 N ATOM 77 CA SER A 8 -5.326 -4.975 1.506 1.00 64.23 C ATOM 78 C SER A 8 -5.032 -3.696 2.272 1.00 22.33 C ATOM 79 O SER A 8 -5.552 -3.500 3.365 1.00 11.44 O ATOM 80 CB SER A 8 -6.804 -5.081 1.127 1.00 70.23 C ATOM 81 OG SER A 8 -7.111 -6.407 0.679 1.00 11.03 O ATOM 0 H SER A 8 -5.649 -6.249 3.111 1.00 1.23 H new ATOM 0 HA SER A 8 -4.754 -4.988 0.578 1.00 64.23 H new ATOM 0 HB2 SER A 8 -7.425 -4.828 1.986 1.00 70.23 H new ATOM 0 HB3 SER A 8 -7.037 -4.362 0.342 1.00 70.23 H new ATOM 0 HG SER A 8 -8.060 -6.460 0.442 1.00 11.03 H new ATOM 87 N VAL A 9 -4.164 -2.873 1.754 1.00 11.50 N ATOM 88 CA VAL A 9 -3.775 -1.677 2.452 1.00 62.13 C ATOM 89 C VAL A 9 -4.369 -0.433 1.793 1.00 70.41 C ATOM 90 O VAL A 9 -4.190 -0.186 0.593 1.00 74.43 O ATOM 91 CB VAL A 9 -2.224 -1.596 2.629 1.00 75.42 C ATOM 92 CG1 VAL A 9 -1.501 -1.782 1.313 1.00 51.10 C ATOM 93 CG2 VAL A 9 -1.806 -0.295 3.295 1.00 3.25 C ATOM 0 H VAL A 9 -3.711 -3.007 0.850 1.00 11.50 H new ATOM 0 HA VAL A 9 -4.192 -1.720 3.458 1.00 62.13 H new ATOM 0 HB VAL A 9 -1.936 -2.417 3.286 1.00 75.42 H new ATOM 0 HG11 VAL A 9 -0.425 -1.719 1.477 1.00 51.10 H new ATOM 0 HG12 VAL A 9 -1.748 -2.759 0.897 1.00 51.10 H new ATOM 0 HG13 VAL A 9 -1.808 -1.002 0.616 1.00 51.10 H new ATOM 0 HG21 VAL A 9 -0.721 -0.273 3.402 1.00 3.25 H new ATOM 0 HG22 VAL A 9 -2.127 0.547 2.682 1.00 3.25 H new ATOM 0 HG23 VAL A 9 -2.269 -0.225 4.279 1.00 3.25 H new ATOM 103 N THR A 10 -5.073 0.317 2.582 1.00 2.32 N ATOM 104 CA THR A 10 -5.783 1.468 2.146 1.00 45.41 C ATOM 105 C THR A 10 -5.321 2.640 2.992 1.00 24.14 C ATOM 106 O THR A 10 -5.159 2.509 4.203 1.00 63.43 O ATOM 107 CB THR A 10 -7.308 1.242 2.326 1.00 71.43 C ATOM 108 OG1 THR A 10 -7.682 -0.027 1.734 1.00 30.51 O ATOM 109 CG2 THR A 10 -8.115 2.356 1.664 1.00 50.34 C ATOM 0 H THR A 10 -5.169 0.134 3.581 1.00 2.32 H new ATOM 0 HA THR A 10 -5.591 1.665 1.091 1.00 45.41 H new ATOM 0 HB THR A 10 -7.526 1.242 3.394 1.00 71.43 H new ATOM 0 HG1 THR A 10 -8.408 -0.430 2.255 1.00 30.51 H new ATOM 0 HG21 THR A 10 -9.179 2.169 1.808 1.00 50.34 H new ATOM 0 HG22 THR A 10 -7.851 3.313 2.114 1.00 50.34 H new ATOM 0 HG23 THR A 10 -7.892 2.382 0.597 1.00 50.34 H new ATOM 117 N LEU A 11 -5.060 3.739 2.377 1.00 1.21 N ATOM 118 CA LEU A 11 -4.592 4.873 3.092 1.00 65.44 C ATOM 119 C LEU A 11 -5.716 5.857 3.335 1.00 14.23 C ATOM 120 O LEU A 11 -6.632 5.982 2.510 1.00 23.11 O ATOM 121 CB LEU A 11 -3.364 5.504 2.377 1.00 11.21 C ATOM 122 CG LEU A 11 -3.511 6.042 0.930 1.00 52.12 C ATOM 123 CD1 LEU A 11 -4.222 7.387 0.887 1.00 43.30 C ATOM 124 CD2 LEU A 11 -2.152 6.140 0.262 1.00 1.50 C ATOM 0 H LEU A 11 -5.164 3.877 1.372 1.00 1.21 H new ATOM 0 HA LEU A 11 -4.246 4.558 4.076 1.00 65.44 H new ATOM 0 HB2 LEU A 11 -3.014 6.329 2.997 1.00 11.21 H new ATOM 0 HB3 LEU A 11 -2.572 4.755 2.367 1.00 11.21 H new ATOM 0 HG LEU A 11 -4.129 5.332 0.381 1.00 52.12 H new ATOM 0 HD11 LEU A 11 -4.302 7.724 -0.147 1.00 43.30 H new ATOM 0 HD12 LEU A 11 -5.220 7.285 1.313 1.00 43.30 H new ATOM 0 HD13 LEU A 11 -3.654 8.117 1.464 1.00 43.30 H new ATOM 0 HD21 LEU A 11 -2.272 6.519 -0.753 1.00 1.50 H new ATOM 0 HD22 LEU A 11 -1.515 6.819 0.830 1.00 1.50 H new ATOM 0 HD23 LEU A 11 -1.691 5.153 0.228 1.00 1.50 H new ATOM 136 N GLN A 12 -5.690 6.488 4.476 1.00 33.11 N ATOM 137 CA GLN A 12 -6.618 7.531 4.802 1.00 12.43 C ATOM 138 C GLN A 12 -5.870 8.816 4.839 1.00 65.13 C ATOM 139 O GLN A 12 -4.885 8.919 5.546 1.00 70.14 O ATOM 140 CB GLN A 12 -7.257 7.311 6.150 1.00 41.42 C ATOM 141 CG GLN A 12 -8.255 6.196 6.213 1.00 70.22 C ATOM 142 CD GLN A 12 -8.956 6.185 7.532 1.00 12.21 C ATOM 143 OE1 GLN A 12 -8.544 5.508 8.469 1.00 11.42 O ATOM 144 NE2 GLN A 12 -9.961 7.006 7.644 1.00 45.51 N ATOM 0 H GLN A 12 -5.015 6.289 5.214 1.00 33.11 H new ATOM 0 HA GLN A 12 -7.408 7.541 4.051 1.00 12.43 H new ATOM 0 HB2 GLN A 12 -6.470 7.114 6.878 1.00 41.42 H new ATOM 0 HB3 GLN A 12 -7.749 8.234 6.455 1.00 41.42 H new ATOM 0 HG2 GLN A 12 -8.983 6.308 5.410 1.00 70.22 H new ATOM 0 HG3 GLN A 12 -7.752 5.242 6.056 1.00 70.22 H new ATOM 0 HE21 GLN A 12 -10.269 7.549 6.837 1.00 45.51 H new ATOM 0 HE22 GLN A 12 -10.440 7.106 8.539 1.00 45.51 H new ATOM 153 N LEU A 13 -6.330 9.788 4.129 1.00 52.24 N ATOM 154 CA LEU A 13 -5.597 11.026 4.030 1.00 73.25 C ATOM 155 C LEU A 13 -6.467 12.194 4.421 1.00 22.02 C ATOM 156 O LEU A 13 -7.691 12.218 4.159 1.00 62.11 O ATOM 157 CB LEU A 13 -4.999 11.209 2.615 1.00 23.40 C ATOM 158 CG LEU A 13 -5.988 11.505 1.484 1.00 2.51 C ATOM 159 CD1 LEU A 13 -6.094 13.002 1.204 1.00 54.22 C ATOM 160 CD2 LEU A 13 -5.662 10.722 0.230 1.00 33.44 C ATOM 0 H LEU A 13 -7.205 9.761 3.606 1.00 52.24 H new ATOM 0 HA LEU A 13 -4.763 10.985 4.730 1.00 73.25 H new ATOM 0 HB2 LEU A 13 -4.274 12.022 2.654 1.00 23.40 H new ATOM 0 HB3 LEU A 13 -4.449 10.304 2.358 1.00 23.40 H new ATOM 0 HG LEU A 13 -6.969 11.170 1.822 1.00 2.51 H new ATOM 0 HD11 LEU A 13 -6.805 13.171 0.395 1.00 54.22 H new ATOM 0 HD12 LEU A 13 -6.436 13.517 2.102 1.00 54.22 H new ATOM 0 HD13 LEU A 13 -5.117 13.388 0.914 1.00 54.22 H new ATOM 0 HD21 LEU A 13 -6.388 10.961 -0.547 1.00 33.44 H new ATOM 0 HD22 LEU A 13 -4.662 10.986 -0.114 1.00 33.44 H new ATOM 0 HD23 LEU A 13 -5.702 9.655 0.447 1.00 33.44 H new ATOM 172 N ASP A 14 -5.853 13.156 5.017 1.00 55.11 N ATOM 173 CA ASP A 14 -6.538 14.322 5.480 1.00 24.25 C ATOM 174 C ASP A 14 -6.469 15.408 4.449 1.00 54.34 C ATOM 175 O ASP A 14 -5.445 16.067 4.268 1.00 60.13 O ATOM 176 CB ASP A 14 -6.003 14.823 6.813 1.00 54.33 C ATOM 177 CG ASP A 14 -6.734 16.060 7.279 1.00 30.31 C ATOM 178 OD1 ASP A 14 -7.863 15.945 7.798 1.00 41.43 O ATOM 179 OD2 ASP A 14 -6.206 17.171 7.132 1.00 11.11 O ATOM 0 H ASP A 14 -4.850 13.160 5.201 1.00 55.11 H new ATOM 0 HA ASP A 14 -7.578 14.040 5.641 1.00 24.25 H new ATOM 0 HB2 ASP A 14 -6.101 14.038 7.563 1.00 54.33 H new ATOM 0 HB3 ASP A 14 -4.939 15.043 6.719 1.00 54.33 H new ATOM 184 N ASP A 15 -7.534 15.552 3.755 1.00 74.15 N ATOM 185 CA ASP A 15 -7.656 16.545 2.711 1.00 40.02 C ATOM 186 C ASP A 15 -8.437 17.729 3.227 1.00 31.22 C ATOM 187 O ASP A 15 -8.180 18.883 2.890 1.00 14.14 O ATOM 188 CB ASP A 15 -8.393 15.928 1.516 1.00 13.25 C ATOM 189 CG ASP A 15 -8.934 16.954 0.537 1.00 32.13 C ATOM 190 OD1 ASP A 15 -8.205 17.375 -0.384 1.00 23.01 O ATOM 191 OD2 ASP A 15 -10.128 17.335 0.673 1.00 21.43 O ATOM 0 H ASP A 15 -8.370 14.983 3.884 1.00 74.15 H new ATOM 0 HA ASP A 15 -6.664 16.876 2.402 1.00 40.02 H new ATOM 0 HB2 ASP A 15 -7.714 15.258 0.988 1.00 13.25 H new ATOM 0 HB3 ASP A 15 -9.219 15.320 1.885 1.00 13.25 H new ATOM 196 N GLY A 16 -9.344 17.420 4.098 1.00 31.34 N ATOM 197 CA GLY A 16 -10.300 18.357 4.565 1.00 64.32 C ATOM 198 C GLY A 16 -11.660 17.789 4.304 1.00 24.02 C ATOM 199 O GLY A 16 -12.596 17.962 5.091 1.00 71.01 O ATOM 0 H GLY A 16 -9.438 16.491 4.509 1.00 31.34 H new ATOM 0 HA2 GLY A 16 -10.162 18.545 5.630 1.00 64.32 H new ATOM 0 HA3 GLY A 16 -10.180 19.312 4.054 1.00 64.32 H new ATOM 203 N SER A 17 -11.764 17.068 3.204 1.00 15.14 N ATOM 204 CA SER A 17 -12.993 16.397 2.861 1.00 4.54 C ATOM 205 C SER A 17 -12.977 15.019 3.524 1.00 74.25 C ATOM 206 O SER A 17 -13.960 14.572 4.121 1.00 20.24 O ATOM 207 CB SER A 17 -13.086 16.249 1.336 1.00 63.42 C ATOM 208 OG SER A 17 -12.760 17.481 0.684 1.00 1.22 O ATOM 0 H SER A 17 -11.007 16.935 2.534 1.00 15.14 H new ATOM 0 HA SER A 17 -13.855 16.968 3.207 1.00 4.54 H new ATOM 0 HB2 SER A 17 -12.408 15.464 1.000 1.00 63.42 H new ATOM 0 HB3 SER A 17 -14.093 15.940 1.057 1.00 63.42 H new ATOM 0 HG SER A 17 -11.787 17.557 0.596 1.00 1.22 H new ATOM 214 N GLY A 18 -11.815 14.391 3.468 1.00 64.01 N ATOM 215 CA GLY A 18 -11.654 13.064 3.993 1.00 42.34 C ATOM 216 C GLY A 18 -11.586 12.082 2.865 1.00 73.10 C ATOM 217 O GLY A 18 -12.612 11.662 2.338 1.00 31.44 O ATOM 0 H GLY A 18 -10.970 14.790 3.060 1.00 64.01 H new ATOM 0 HA2 GLY A 18 -10.746 13.007 4.593 1.00 42.34 H new ATOM 0 HA3 GLY A 18 -12.487 12.819 4.652 1.00 42.34 H new ATOM 221 N ARG A 19 -10.396 11.760 2.440 1.00 42.45 N ATOM 222 CA ARG A 19 -10.231 10.848 1.327 1.00 31.44 C ATOM 223 C ARG A 19 -9.458 9.622 1.689 1.00 3.21 C ATOM 224 O ARG A 19 -8.662 9.619 2.633 1.00 63.43 O ATOM 225 CB ARG A 19 -9.628 11.523 0.100 1.00 4.12 C ATOM 226 CG ARG A 19 -10.588 12.445 -0.635 1.00 71.01 C ATOM 227 CD ARG A 19 -11.764 11.660 -1.199 1.00 25.43 C ATOM 228 NE ARG A 19 -12.812 12.521 -1.725 1.00 31.14 N ATOM 229 CZ ARG A 19 -14.119 12.235 -1.663 1.00 2.45 C ATOM 230 NH1 ARG A 19 -14.527 11.067 -1.138 1.00 74.13 N ATOM 231 NH2 ARG A 19 -15.010 13.097 -2.133 1.00 1.24 N ATOM 0 H ARG A 19 -9.526 12.110 2.841 1.00 42.45 H new ATOM 0 HA ARG A 19 -11.241 10.530 1.067 1.00 31.44 H new ATOM 0 HB2 ARG A 19 -8.753 12.097 0.407 1.00 4.12 H new ATOM 0 HB3 ARG A 19 -9.279 10.754 -0.590 1.00 4.12 H new ATOM 0 HG2 ARG A 19 -10.952 13.216 0.045 1.00 71.01 H new ATOM 0 HG3 ARG A 19 -10.063 12.954 -1.443 1.00 71.01 H new ATOM 0 HD2 ARG A 19 -11.409 11.001 -1.991 1.00 25.43 H new ATOM 0 HD3 ARG A 19 -12.180 11.024 -0.417 1.00 25.43 H new ATOM 0 HE ARG A 19 -12.534 13.397 -2.168 1.00 31.14 H new ATOM 0 HH11 ARG A 19 -13.841 10.398 -0.787 1.00 74.13 H new ATOM 0 HH12 ARG A 19 -15.522 10.849 -1.091 1.00 74.13 H new ATOM 0 HH21 ARG A 19 -14.700 13.979 -2.542 1.00 1.24 H new ATOM 0 HH22 ARG A 19 -16.005 12.879 -2.086 1.00 1.24 H new ATOM 245 N THR A 20 -9.709 8.590 0.942 1.00 63.15 N ATOM 246 CA THR A 20 -9.088 7.323 1.107 1.00 63.11 C ATOM 247 C THR A 20 -8.640 6.831 -0.265 1.00 42.41 C ATOM 248 O THR A 20 -9.198 7.253 -1.288 1.00 71.33 O ATOM 249 CB THR A 20 -10.086 6.325 1.750 1.00 33.22 C ATOM 250 OG1 THR A 20 -11.321 6.312 0.999 1.00 61.41 O ATOM 251 CG2 THR A 20 -10.399 6.733 3.175 1.00 33.23 C ATOM 0 H THR A 20 -10.379 8.615 0.173 1.00 63.15 H new ATOM 0 HA THR A 20 -8.224 7.405 1.767 1.00 63.11 H new ATOM 0 HB THR A 20 -9.629 5.336 1.743 1.00 33.22 H new ATOM 0 HG1 THR A 20 -11.946 5.679 1.409 1.00 61.41 H new ATOM 0 HG21 THR A 20 -11.101 6.022 3.611 1.00 33.23 H new ATOM 0 HG22 THR A 20 -9.480 6.742 3.761 1.00 33.23 H new ATOM 0 HG23 THR A 20 -10.842 7.729 3.179 1.00 33.23 H new ATOM 259 N TYR A 21 -7.624 6.013 -0.303 1.00 54.14 N ATOM 260 CA TYR A 21 -7.109 5.483 -1.551 1.00 71.41 C ATOM 261 C TYR A 21 -6.449 4.157 -1.255 1.00 73.44 C ATOM 262 O TYR A 21 -5.681 4.058 -0.297 1.00 41.34 O ATOM 263 CB TYR A 21 -6.083 6.473 -2.141 1.00 64.33 C ATOM 264 CG TYR A 21 -5.563 6.144 -3.528 1.00 72.25 C ATOM 265 CD1 TYR A 21 -6.238 6.585 -4.653 1.00 23.21 C ATOM 266 CD2 TYR A 21 -4.387 5.423 -3.711 1.00 74.42 C ATOM 267 CE1 TYR A 21 -5.767 6.317 -5.919 1.00 41.30 C ATOM 268 CE2 TYR A 21 -3.905 5.156 -4.982 1.00 45.13 C ATOM 269 CZ TYR A 21 -4.605 5.605 -6.081 1.00 4.41 C ATOM 270 OH TYR A 21 -4.127 5.369 -7.349 1.00 41.13 O ATOM 0 H TYR A 21 -7.125 5.691 0.526 1.00 54.14 H new ATOM 0 HA TYR A 21 -7.912 5.344 -2.275 1.00 71.41 H new ATOM 0 HB2 TYR A 21 -6.538 7.463 -2.171 1.00 64.33 H new ATOM 0 HB3 TYR A 21 -5.233 6.533 -1.461 1.00 64.33 H new ATOM 0 HD1 TYR A 21 -7.151 7.150 -4.536 1.00 23.21 H new ATOM 0 HD2 TYR A 21 -3.842 5.066 -2.849 1.00 74.42 H new ATOM 0 HE1 TYR A 21 -6.312 6.667 -6.784 1.00 41.30 H new ATOM 0 HE2 TYR A 21 -2.988 4.600 -5.111 1.00 45.13 H new ATOM 0 HH TYR A 21 -3.296 4.853 -7.294 1.00 41.13 H new ATOM 280 N GLN A 22 -6.755 3.138 -2.013 1.00 3.32 N ATOM 281 CA GLN A 22 -6.142 1.858 -1.758 1.00 60.12 C ATOM 282 C GLN A 22 -4.901 1.680 -2.611 1.00 24.01 C ATOM 283 O GLN A 22 -4.861 2.105 -3.767 1.00 74.44 O ATOM 284 CB GLN A 22 -7.132 0.695 -1.920 1.00 22.02 C ATOM 285 CG GLN A 22 -6.550 -0.652 -1.508 1.00 44.44 C ATOM 286 CD GLN A 22 -7.568 -1.752 -1.464 1.00 72.43 C ATOM 287 OE1 GLN A 22 -7.803 -2.452 -2.456 1.00 2.14 O ATOM 288 NE2 GLN A 22 -8.175 -1.921 -0.323 1.00 52.22 N ATOM 0 H GLN A 22 -7.409 3.164 -2.795 1.00 3.32 H new ATOM 0 HA GLN A 22 -5.831 1.842 -0.713 1.00 60.12 H new ATOM 0 HB2 GLN A 22 -8.021 0.897 -1.322 1.00 22.02 H new ATOM 0 HB3 GLN A 22 -7.453 0.642 -2.960 1.00 22.02 H new ATOM 0 HG2 GLN A 22 -5.759 -0.927 -2.206 1.00 44.44 H new ATOM 0 HG3 GLN A 22 -6.088 -0.555 -0.525 1.00 44.44 H new ATOM 0 HE21 GLN A 22 -7.949 -1.319 0.469 1.00 52.22 H new ATOM 0 HE22 GLN A 22 -8.876 -2.655 -0.222 1.00 52.22 H new ATOM 297 N LEU A 23 -3.888 1.085 -2.034 1.00 31.34 N ATOM 298 CA LEU A 23 -2.637 0.879 -2.712 1.00 23.34 C ATOM 299 C LEU A 23 -2.737 -0.285 -3.659 1.00 71.03 C ATOM 300 O LEU A 23 -3.140 -1.382 -3.265 1.00 63.42 O ATOM 301 CB LEU A 23 -1.522 0.631 -1.703 1.00 23.24 C ATOM 302 CG LEU A 23 -1.185 1.789 -0.761 1.00 53.23 C ATOM 303 CD1 LEU A 23 -0.088 1.381 0.198 1.00 53.22 C ATOM 304 CD2 LEU A 23 -0.767 3.023 -1.546 1.00 75.34 C ATOM 0 H LEU A 23 -3.909 0.729 -1.078 1.00 31.34 H new ATOM 0 HA LEU A 23 -2.405 1.778 -3.283 1.00 23.34 H new ATOM 0 HB2 LEU A 23 -1.796 -0.233 -1.097 1.00 23.24 H new ATOM 0 HB3 LEU A 23 -0.619 0.363 -2.251 1.00 23.24 H new ATOM 0 HG LEU A 23 -2.080 2.036 -0.190 1.00 53.23 H new ATOM 0 HD11 LEU A 23 0.142 2.214 0.863 1.00 53.22 H new ATOM 0 HD12 LEU A 23 -0.420 0.527 0.788 1.00 53.22 H new ATOM 0 HD13 LEU A 23 0.805 1.108 -0.365 1.00 53.22 H new ATOM 0 HD21 LEU A 23 -0.533 3.832 -0.854 1.00 75.34 H new ATOM 0 HD22 LEU A 23 0.113 2.792 -2.146 1.00 75.34 H new ATOM 0 HD23 LEU A 23 -1.582 3.331 -2.201 1.00 75.34 H new ATOM 316 N ARG A 24 -2.392 -0.048 -4.901 1.00 14.21 N ATOM 317 CA ARG A 24 -2.408 -1.093 -5.899 1.00 41.41 C ATOM 318 C ARG A 24 -1.120 -1.854 -5.770 1.00 1.12 C ATOM 319 O ARG A 24 -0.112 -1.283 -5.320 1.00 21.32 O ATOM 320 CB ARG A 24 -2.463 -0.518 -7.318 1.00 14.21 C ATOM 321 CG ARG A 24 -3.454 0.605 -7.530 1.00 2.44 C ATOM 322 CD ARG A 24 -4.870 0.238 -7.135 1.00 11.22 C ATOM 323 NE ARG A 24 -5.747 1.382 -7.337 1.00 0.52 N ATOM 324 CZ ARG A 24 -6.745 1.756 -6.539 1.00 51.04 C ATOM 325 NH1 ARG A 24 -7.121 0.994 -5.505 1.00 24.40 N ATOM 326 NH2 ARG A 24 -7.392 2.887 -6.800 1.00 65.12 N ATOM 0 H ARG A 24 -2.095 0.864 -5.248 1.00 14.21 H new ATOM 0 HA ARG A 24 -3.287 -1.718 -5.741 1.00 41.41 H new ATOM 0 HB2 ARG A 24 -1.469 -0.157 -7.583 1.00 14.21 H new ATOM 0 HB3 ARG A 24 -2.703 -1.326 -8.009 1.00 14.21 H new ATOM 0 HG2 ARG A 24 -3.137 1.474 -6.953 1.00 2.44 H new ATOM 0 HG3 ARG A 24 -3.441 0.898 -8.580 1.00 2.44 H new ATOM 0 HD2 ARG A 24 -5.216 -0.607 -7.729 1.00 11.22 H new ATOM 0 HD3 ARG A 24 -4.898 -0.074 -6.091 1.00 11.22 H new ATOM 0 HE ARG A 24 -5.582 1.950 -8.168 1.00 0.52 H new ATOM 0 HH11 ARG A 24 -6.641 0.113 -5.319 1.00 24.40 H new ATOM 0 HH12 ARG A 24 -7.887 1.294 -4.903 1.00 24.40 H new ATOM 0 HH21 ARG A 24 -7.122 3.455 -7.603 1.00 65.12 H new ATOM 0 HH22 ARG A 24 -8.159 3.187 -6.198 1.00 65.12 H new ATOM 340 N GLU A 25 -1.122 -3.104 -6.146 1.00 74.33 N ATOM 341 CA GLU A 25 0.094 -3.860 -6.107 1.00 71.30 C ATOM 342 C GLU A 25 0.972 -3.473 -7.271 1.00 21.23 C ATOM 343 O GLU A 25 0.573 -3.541 -8.451 1.00 53.45 O ATOM 344 CB GLU A 25 -0.133 -5.366 -5.959 1.00 55.32 C ATOM 345 CG GLU A 25 -1.013 -5.997 -7.000 1.00 1.14 C ATOM 346 CD GLU A 25 -1.248 -7.444 -6.706 1.00 72.12 C ATOM 347 OE1 GLU A 25 -0.357 -8.262 -6.953 1.00 63.22 O ATOM 348 OE2 GLU A 25 -2.345 -7.800 -6.239 1.00 62.33 O ATOM 0 H GLU A 25 -1.941 -3.613 -6.478 1.00 74.33 H new ATOM 0 HA GLU A 25 0.633 -3.601 -5.196 1.00 71.30 H new ATOM 0 HB2 GLU A 25 0.836 -5.865 -5.978 1.00 55.32 H new ATOM 0 HB3 GLU A 25 -0.569 -5.555 -4.978 1.00 55.32 H new ATOM 0 HG2 GLU A 25 -1.967 -5.472 -7.040 1.00 1.14 H new ATOM 0 HG3 GLU A 25 -0.551 -5.893 -7.982 1.00 1.14 H new ATOM 355 N GLY A 26 2.114 -3.013 -6.910 1.00 24.10 N ATOM 356 CA GLY A 26 3.051 -2.418 -7.779 1.00 14.01 C ATOM 357 C GLY A 26 3.551 -1.209 -7.061 1.00 40.01 C ATOM 358 O GLY A 26 3.299 -1.068 -5.855 1.00 34.03 O ATOM 0 H GLY A 26 2.434 -3.046 -5.942 1.00 24.10 H new ATOM 0 HA2 GLY A 26 3.867 -3.105 -8.006 1.00 14.01 H new ATOM 0 HA3 GLY A 26 2.589 -2.147 -8.728 1.00 14.01 H new ATOM 362 N SER A 27 4.235 -0.355 -7.706 1.00 24.15 N ATOM 363 CA SER A 27 4.658 0.821 -7.040 1.00 71.33 C ATOM 364 C SER A 27 3.854 2.031 -7.517 1.00 72.24 C ATOM 365 O SER A 27 3.465 2.125 -8.697 1.00 20.13 O ATOM 366 CB SER A 27 6.154 1.010 -7.189 1.00 72.42 C ATOM 367 OG SER A 27 6.543 0.885 -8.549 1.00 33.25 O ATOM 0 H SER A 27 4.516 -0.438 -8.683 1.00 24.15 H new ATOM 0 HA SER A 27 4.461 0.717 -5.973 1.00 71.33 H new ATOM 0 HB2 SER A 27 6.441 1.992 -6.812 1.00 72.42 H new ATOM 0 HB3 SER A 27 6.681 0.271 -6.586 1.00 72.42 H new ATOM 0 HG SER A 27 7.512 1.012 -8.625 1.00 33.25 H new ATOM 373 N ASN A 28 3.574 2.912 -6.612 1.00 64.21 N ATOM 374 CA ASN A 28 2.825 4.110 -6.890 1.00 23.25 C ATOM 375 C ASN A 28 3.622 5.292 -6.431 1.00 54.11 C ATOM 376 O ASN A 28 4.354 5.202 -5.454 1.00 53.23 O ATOM 377 CB ASN A 28 1.439 4.087 -6.215 1.00 53.22 C ATOM 378 CG ASN A 28 1.489 3.916 -4.703 1.00 3.33 C ATOM 379 OD1 ASN A 28 1.539 4.883 -3.958 1.00 61.22 O ATOM 380 ND2 ASN A 28 1.473 2.681 -4.246 1.00 73.15 N ATOM 0 H ASN A 28 3.862 2.824 -5.637 1.00 64.21 H new ATOM 0 HA ASN A 28 2.649 4.176 -7.964 1.00 23.25 H new ATOM 0 HB2 ASN A 28 0.917 5.015 -6.448 1.00 53.22 H new ATOM 0 HB3 ASN A 28 0.851 3.275 -6.643 1.00 53.22 H new ATOM 0 HD21 ASN A 28 1.503 2.509 -3.241 1.00 73.15 H new ATOM 0 HD22 ASN A 28 1.431 1.897 -4.897 1.00 73.15 H new ATOM 387 N ILE A 29 3.518 6.377 -7.147 1.00 1.44 N ATOM 388 CA ILE A 29 4.278 7.563 -6.839 1.00 64.32 C ATOM 389 C ILE A 29 3.331 8.727 -6.596 1.00 11.32 C ATOM 390 O ILE A 29 2.390 8.948 -7.379 1.00 51.21 O ATOM 391 CB ILE A 29 5.278 7.900 -7.989 1.00 13.12 C ATOM 392 CG1 ILE A 29 6.225 6.701 -8.229 1.00 14.22 C ATOM 393 CG2 ILE A 29 6.082 9.160 -7.662 1.00 34.14 C ATOM 394 CD1 ILE A 29 7.196 6.880 -9.374 1.00 3.43 C ATOM 0 H ILE A 29 2.907 6.467 -7.959 1.00 1.44 H new ATOM 0 HA ILE A 29 4.860 7.381 -5.936 1.00 64.32 H new ATOM 0 HB ILE A 29 4.709 8.092 -8.899 1.00 13.12 H new ATOM 0 HG12 ILE A 29 6.791 6.515 -7.316 1.00 14.22 H new ATOM 0 HG13 ILE A 29 5.623 5.812 -8.417 1.00 14.22 H new ATOM 0 HG21 ILE A 29 6.772 9.374 -8.479 1.00 34.14 H new ATOM 0 HG22 ILE A 29 5.402 10.002 -7.532 1.00 34.14 H new ATOM 0 HG23 ILE A 29 6.646 9.003 -6.743 1.00 34.14 H new ATOM 0 HD11 ILE A 29 7.818 5.990 -9.466 1.00 3.43 H new ATOM 0 HD12 ILE A 29 6.642 7.033 -10.300 1.00 3.43 H new ATOM 0 HD13 ILE A 29 7.829 7.747 -9.182 1.00 3.43 H new ATOM 406 N ILE A 30 3.567 9.427 -5.519 1.00 12.20 N ATOM 407 CA ILE A 30 2.783 10.558 -5.096 1.00 60.31 C ATOM 408 C ILE A 30 3.579 11.852 -5.313 1.00 54.23 C ATOM 409 O ILE A 30 4.777 11.933 -4.973 1.00 15.42 O ATOM 410 CB ILE A 30 2.371 10.415 -3.586 1.00 24.24 C ATOM 411 CG1 ILE A 30 1.453 9.190 -3.381 1.00 43.12 C ATOM 412 CG2 ILE A 30 1.744 11.692 -3.037 1.00 25.14 C ATOM 413 CD1 ILE A 30 1.067 8.923 -1.940 1.00 41.30 C ATOM 0 H ILE A 30 4.340 9.218 -4.887 1.00 12.20 H new ATOM 0 HA ILE A 30 1.872 10.596 -5.694 1.00 60.31 H new ATOM 0 HB ILE A 30 3.283 10.249 -3.012 1.00 24.24 H new ATOM 0 HG12 ILE A 30 0.544 9.332 -3.966 1.00 43.12 H new ATOM 0 HG13 ILE A 30 1.954 8.307 -3.779 1.00 43.12 H new ATOM 0 HG21 ILE A 30 1.476 11.545 -1.991 1.00 25.14 H new ATOM 0 HG22 ILE A 30 2.458 12.511 -3.117 1.00 25.14 H new ATOM 0 HG23 ILE A 30 0.849 11.934 -3.610 1.00 25.14 H new ATOM 0 HD11 ILE A 30 0.422 8.045 -1.893 1.00 41.30 H new ATOM 0 HD12 ILE A 30 1.966 8.745 -1.349 1.00 41.30 H new ATOM 0 HD13 ILE A 30 0.535 9.786 -1.540 1.00 41.30 H new ATOM 425 N GLY A 31 2.936 12.818 -5.921 1.00 50.41 N ATOM 426 CA GLY A 31 3.525 14.104 -6.144 1.00 1.32 C ATOM 427 C GLY A 31 2.975 14.708 -7.384 1.00 73.34 C ATOM 428 O GLY A 31 1.880 14.351 -7.802 1.00 51.32 O ATOM 0 H GLY A 31 1.984 12.728 -6.275 1.00 50.41 H new ATOM 0 HA2 GLY A 31 3.327 14.756 -5.293 1.00 1.32 H new ATOM 0 HA3 GLY A 31 4.608 14.008 -6.226 1.00 1.32 H new ATOM 432 N ARG A 32 3.681 15.630 -7.967 1.00 72.14 N ATOM 433 CA ARG A 32 3.260 16.175 -9.231 1.00 62.11 C ATOM 434 C ARG A 32 4.403 16.164 -10.200 1.00 21.33 C ATOM 435 O ARG A 32 5.337 16.977 -10.103 1.00 64.45 O ATOM 436 CB ARG A 32 2.660 17.581 -9.106 1.00 23.34 C ATOM 437 CG ARG A 32 1.364 17.611 -8.327 1.00 5.33 C ATOM 438 CD ARG A 32 0.606 18.910 -8.539 1.00 72.31 C ATOM 439 NE ARG A 32 1.235 20.073 -7.900 1.00 23.20 N ATOM 440 CZ ARG A 32 1.547 21.223 -8.527 1.00 31.22 C ATOM 441 NH1 ARG A 32 1.544 21.292 -9.856 1.00 55.32 N ATOM 442 NH2 ARG A 32 1.899 22.282 -7.819 1.00 51.22 N ATOM 0 H ARG A 32 4.546 16.021 -7.594 1.00 72.14 H new ATOM 0 HA ARG A 32 2.461 15.536 -9.608 1.00 62.11 H new ATOM 0 HB2 ARG A 32 3.383 18.235 -8.620 1.00 23.34 H new ATOM 0 HB3 ARG A 32 2.486 17.984 -10.104 1.00 23.34 H new ATOM 0 HG2 ARG A 32 0.738 16.772 -8.631 1.00 5.33 H new ATOM 0 HG3 ARG A 32 1.575 17.483 -7.265 1.00 5.33 H new ATOM 0 HD2 ARG A 32 0.518 19.098 -9.609 1.00 72.31 H new ATOM 0 HD3 ARG A 32 -0.406 18.797 -8.151 1.00 72.31 H new ATOM 0 HE ARG A 32 1.452 20.004 -6.906 1.00 23.20 H new ATOM 0 HH11 ARG A 32 1.304 20.469 -10.409 1.00 55.32 H new ATOM 0 HH12 ARG A 32 1.782 22.168 -10.322 1.00 55.32 H new ATOM 0 HH21 ARG A 32 1.934 22.226 -6.801 1.00 51.22 H new ATOM 0 HH22 ARG A 32 2.136 23.155 -8.290 1.00 51.22 H new ATOM 456 N GLY A 33 4.317 15.265 -11.133 1.00 33.40 N ATOM 457 CA GLY A 33 5.321 15.080 -12.118 1.00 0.31 C ATOM 458 C GLY A 33 4.875 14.061 -13.119 1.00 71.22 C ATOM 459 O GLY A 33 3.693 13.709 -13.153 1.00 21.34 O ATOM 0 H GLY A 33 3.526 14.628 -11.227 1.00 33.40 H new ATOM 0 HA2 GLY A 33 5.530 16.026 -12.618 1.00 0.31 H new ATOM 0 HA3 GLY A 33 6.249 14.757 -11.647 1.00 0.31 H new ATOM 463 N GLN A 34 5.797 13.568 -13.890 1.00 14.34 N ATOM 464 CA GLN A 34 5.511 12.601 -14.936 1.00 24.22 C ATOM 465 C GLN A 34 5.386 11.202 -14.347 1.00 61.41 C ATOM 466 O GLN A 34 4.522 10.426 -14.736 1.00 65.54 O ATOM 467 CB GLN A 34 6.623 12.641 -15.978 1.00 12.21 C ATOM 468 CG GLN A 34 6.813 14.013 -16.606 1.00 14.24 C ATOM 469 CD GLN A 34 8.032 14.098 -17.490 1.00 41.15 C ATOM 470 OE1 GLN A 34 8.451 13.121 -18.093 1.00 42.23 O ATOM 471 NE2 GLN A 34 8.607 15.263 -17.575 1.00 1.34 N ATOM 0 H GLN A 34 6.783 13.821 -13.819 1.00 14.34 H new ATOM 0 HA GLN A 34 4.563 12.855 -15.411 1.00 24.22 H new ATOM 0 HB2 GLN A 34 7.558 12.330 -15.513 1.00 12.21 H new ATOM 0 HB3 GLN A 34 6.402 11.918 -16.763 1.00 12.21 H new ATOM 0 HG2 GLN A 34 5.929 14.263 -17.192 1.00 14.24 H new ATOM 0 HG3 GLN A 34 6.893 14.759 -15.816 1.00 14.24 H new ATOM 0 HE21 GLN A 34 8.230 16.057 -17.058 1.00 1.34 H new ATOM 0 HE22 GLN A 34 9.435 15.382 -18.159 1.00 1.34 H new ATOM 480 N ASP A 35 6.243 10.900 -13.384 1.00 72.23 N ATOM 481 CA ASP A 35 6.228 9.592 -12.729 1.00 34.25 C ATOM 482 C ASP A 35 5.133 9.541 -11.682 1.00 70.43 C ATOM 483 O ASP A 35 4.665 8.467 -11.297 1.00 34.25 O ATOM 484 CB ASP A 35 7.583 9.255 -12.070 1.00 4.52 C ATOM 485 CG ASP A 35 8.724 9.068 -13.047 1.00 10.05 C ATOM 486 OD1 ASP A 35 8.675 8.129 -13.876 1.00 53.45 O ATOM 487 OD2 ASP A 35 9.697 9.859 -13.009 1.00 30.24 O ATOM 0 H ASP A 35 6.958 11.539 -13.036 1.00 72.23 H new ATOM 0 HA ASP A 35 6.037 8.849 -13.504 1.00 34.25 H new ATOM 0 HB2 ASP A 35 7.843 10.053 -11.374 1.00 4.52 H new ATOM 0 HB3 ASP A 35 7.471 8.344 -11.482 1.00 4.52 H new ATOM 492 N ALA A 36 4.711 10.703 -11.240 1.00 52.23 N ATOM 493 CA ALA A 36 3.692 10.820 -10.218 1.00 53.12 C ATOM 494 C ALA A 36 2.344 10.367 -10.741 1.00 32.20 C ATOM 495 O ALA A 36 1.859 10.858 -11.756 1.00 54.34 O ATOM 496 CB ALA A 36 3.605 12.234 -9.720 1.00 52.05 C ATOM 0 H ALA A 36 5.065 11.598 -11.579 1.00 52.23 H new ATOM 0 HA ALA A 36 3.973 10.172 -9.388 1.00 53.12 H new ATOM 0 HB1 ALA A 36 2.834 12.303 -8.953 1.00 52.05 H new ATOM 0 HB2 ALA A 36 4.565 12.531 -9.297 1.00 52.05 H new ATOM 0 HB3 ALA A 36 3.353 12.896 -10.548 1.00 52.05 H new ATOM 502 N GLN A 37 1.758 9.428 -10.051 1.00 30.11 N ATOM 503 CA GLN A 37 0.492 8.866 -10.422 1.00 4.34 C ATOM 504 C GLN A 37 -0.595 9.520 -9.592 1.00 33.41 C ATOM 505 O GLN A 37 -1.649 9.916 -10.094 1.00 65.24 O ATOM 506 CB GLN A 37 0.510 7.366 -10.154 1.00 63.02 C ATOM 507 CG GLN A 37 1.617 6.596 -10.873 1.00 33.55 C ATOM 508 CD GLN A 37 1.545 6.722 -12.383 1.00 11.32 C ATOM 509 OE1 GLN A 37 0.868 5.940 -13.040 1.00 21.14 O ATOM 510 NE2 GLN A 37 2.272 7.655 -12.944 1.00 30.33 N ATOM 0 H GLN A 37 2.154 9.026 -9.201 1.00 30.11 H new ATOM 0 HA GLN A 37 0.300 9.040 -11.481 1.00 4.34 H new ATOM 0 HB2 GLN A 37 0.614 7.205 -9.081 1.00 63.02 H new ATOM 0 HB3 GLN A 37 -0.453 6.948 -10.448 1.00 63.02 H new ATOM 0 HG2 GLN A 37 2.586 6.959 -10.530 1.00 33.55 H new ATOM 0 HG3 GLN A 37 1.556 5.543 -10.599 1.00 33.55 H new ATOM 0 HE21 GLN A 37 2.823 8.289 -12.365 1.00 30.33 H new ATOM 0 HE22 GLN A 37 2.287 7.748 -13.960 1.00 30.33 H new ATOM 519 N PHE A 38 -0.324 9.638 -8.326 1.00 74.14 N ATOM 520 CA PHE A 38 -1.218 10.267 -7.411 1.00 45.54 C ATOM 521 C PHE A 38 -0.702 11.662 -7.191 1.00 75.11 C ATOM 522 O PHE A 38 0.449 11.854 -6.792 1.00 70.15 O ATOM 523 CB PHE A 38 -1.271 9.469 -6.108 1.00 12.20 C ATOM 524 CG PHE A 38 -2.177 10.028 -5.040 1.00 64.42 C ATOM 525 CD1 PHE A 38 -1.701 10.951 -4.134 1.00 71.21 C ATOM 526 CD2 PHE A 38 -3.489 9.609 -4.927 1.00 52.23 C ATOM 527 CE1 PHE A 38 -2.490 11.452 -3.143 1.00 1.22 C ATOM 528 CE2 PHE A 38 -4.302 10.105 -3.924 1.00 70.30 C ATOM 529 CZ PHE A 38 -3.798 11.030 -3.027 1.00 25.21 C ATOM 0 H PHE A 38 0.536 9.295 -7.898 1.00 74.14 H new ATOM 0 HA PHE A 38 -2.236 10.306 -7.799 1.00 45.54 H new ATOM 0 HB2 PHE A 38 -1.593 8.453 -6.337 1.00 12.20 H new ATOM 0 HB3 PHE A 38 -0.261 9.400 -5.703 1.00 12.20 H new ATOM 0 HD1 PHE A 38 -0.677 11.285 -4.212 1.00 71.21 H new ATOM 0 HD2 PHE A 38 -3.883 8.888 -5.628 1.00 52.23 H new ATOM 0 HE1 PHE A 38 -2.092 12.178 -2.450 1.00 1.22 H new ATOM 0 HE2 PHE A 38 -5.326 9.772 -3.841 1.00 70.30 H new ATOM 0 HZ PHE A 38 -4.426 11.420 -2.240 1.00 25.21 H new ATOM 539 N ARG A 39 -1.517 12.613 -7.464 1.00 22.20 N ATOM 540 CA ARG A 39 -1.110 13.978 -7.413 1.00 30.34 C ATOM 541 C ARG A 39 -1.493 14.648 -6.133 1.00 5.54 C ATOM 542 O ARG A 39 -2.611 14.480 -5.627 1.00 62.20 O ATOM 543 CB ARG A 39 -1.676 14.754 -8.596 1.00 31.55 C ATOM 544 CG ARG A 39 -1.023 14.423 -9.922 1.00 15.22 C ATOM 545 CD ARG A 39 -1.753 15.072 -11.088 1.00 64.23 C ATOM 546 NE ARG A 39 -1.916 16.537 -10.956 1.00 0.22 N ATOM 547 CZ ARG A 39 -1.792 17.407 -11.974 1.00 41.04 C ATOM 548 NH1 ARG A 39 -1.388 16.991 -13.169 1.00 24.15 N ATOM 549 NH2 ARG A 39 -2.066 18.694 -11.795 1.00 31.12 N ATOM 0 H ARG A 39 -2.491 12.472 -7.731 1.00 22.20 H new ATOM 0 HA ARG A 39 -0.021 13.978 -7.466 1.00 30.34 H new ATOM 0 HB2 ARG A 39 -2.745 14.554 -8.670 1.00 31.55 H new ATOM 0 HB3 ARG A 39 -1.564 15.821 -8.404 1.00 31.55 H new ATOM 0 HG2 ARG A 39 0.014 14.758 -9.910 1.00 15.22 H new ATOM 0 HG3 ARG A 39 -1.007 13.342 -10.060 1.00 15.22 H new ATOM 0 HD2 ARG A 39 -1.209 14.859 -12.008 1.00 64.23 H new ATOM 0 HD3 ARG A 39 -2.737 14.615 -11.187 1.00 64.23 H new ATOM 0 HE ARG A 39 -2.137 16.911 -10.033 1.00 0.22 H new ATOM 0 HH11 ARG A 39 -1.170 16.006 -13.319 1.00 24.15 H new ATOM 0 HH12 ARG A 39 -1.296 17.657 -13.937 1.00 24.15 H new ATOM 0 HH21 ARG A 39 -2.373 19.028 -10.881 1.00 31.12 H new ATOM 0 HH22 ARG A 39 -1.970 19.349 -12.571 1.00 31.12 H new ATOM 563 N LEU A 40 -0.555 15.373 -5.589 1.00 22.44 N ATOM 564 CA LEU A 40 -0.833 16.232 -4.493 1.00 22.14 C ATOM 565 C LEU A 40 -1.032 17.612 -5.042 1.00 71.45 C ATOM 566 O LEU A 40 -0.091 18.197 -5.568 1.00 24.33 O ATOM 567 CB LEU A 40 0.275 16.267 -3.466 1.00 43.42 C ATOM 568 CG LEU A 40 0.496 15.007 -2.659 1.00 12.02 C ATOM 569 CD1 LEU A 40 1.513 15.290 -1.605 1.00 12.53 C ATOM 570 CD2 LEU A 40 -0.801 14.527 -2.016 1.00 71.12 C ATOM 0 H LEU A 40 0.417 15.379 -5.898 1.00 22.44 H new ATOM 0 HA LEU A 40 -1.719 15.855 -3.983 1.00 22.14 H new ATOM 0 HB2 LEU A 40 1.206 16.510 -3.978 1.00 43.42 H new ATOM 0 HB3 LEU A 40 0.070 17.083 -2.773 1.00 43.42 H new ATOM 0 HG LEU A 40 0.847 14.217 -3.323 1.00 12.02 H new ATOM 0 HD11 LEU A 40 1.684 14.391 -1.014 1.00 12.53 H new ATOM 0 HD12 LEU A 40 2.447 15.599 -2.074 1.00 12.53 H new ATOM 0 HD13 LEU A 40 1.152 16.088 -0.956 1.00 12.53 H new ATOM 0 HD21 LEU A 40 -0.609 13.620 -1.443 1.00 71.12 H new ATOM 0 HD22 LEU A 40 -1.186 15.301 -1.352 1.00 71.12 H new ATOM 0 HD23 LEU A 40 -1.536 14.317 -2.793 1.00 71.12 H new ATOM 582 N PRO A 41 -2.232 18.161 -4.942 1.00 23.00 N ATOM 583 CA PRO A 41 -2.582 19.488 -5.511 1.00 14.30 C ATOM 584 C PRO A 41 -1.917 20.680 -4.779 1.00 72.14 C ATOM 585 O PRO A 41 -2.350 21.828 -4.916 1.00 74.30 O ATOM 586 CB PRO A 41 -4.116 19.554 -5.336 1.00 24.23 C ATOM 587 CG PRO A 41 -4.540 18.159 -5.002 1.00 40.52 C ATOM 588 CD PRO A 41 -3.389 17.548 -4.272 1.00 42.14 C ATOM 0 HA PRO A 41 -2.234 19.574 -6.540 1.00 14.30 H new ATOM 0 HB2 PRO A 41 -4.391 20.249 -4.542 1.00 24.23 H new ATOM 0 HB3 PRO A 41 -4.600 19.904 -6.248 1.00 24.23 H new ATOM 0 HG2 PRO A 41 -5.438 18.161 -4.385 1.00 40.52 H new ATOM 0 HG3 PRO A 41 -4.775 17.595 -5.905 1.00 40.52 H new ATOM 0 HD2 PRO A 41 -3.413 17.781 -3.207 1.00 42.14 H new ATOM 0 HD3 PRO A 41 -3.382 16.462 -4.361 1.00 42.14 H new ATOM 596 N ASP A 42 -0.851 20.418 -4.056 1.00 62.32 N ATOM 597 CA ASP A 42 -0.203 21.446 -3.280 1.00 65.54 C ATOM 598 C ASP A 42 0.991 21.997 -4.057 1.00 34.43 C ATOM 599 O ASP A 42 1.304 21.510 -5.161 1.00 52.32 O ATOM 600 CB ASP A 42 0.250 20.902 -1.932 1.00 22.43 C ATOM 601 CG ASP A 42 0.156 21.946 -0.843 1.00 51.33 C ATOM 602 OD1 ASP A 42 1.025 22.834 -0.755 1.00 53.35 O ATOM 603 OD2 ASP A 42 -0.821 21.909 -0.071 1.00 1.52 O ATOM 0 H ASP A 42 -0.415 19.498 -3.991 1.00 62.32 H new ATOM 0 HA ASP A 42 -0.916 22.250 -3.097 1.00 65.54 H new ATOM 0 HB2 ASP A 42 -0.362 20.041 -1.664 1.00 22.43 H new ATOM 0 HB3 ASP A 42 1.279 20.550 -2.010 1.00 22.43 H new ATOM 608 N THR A 43 1.664 22.962 -3.503 1.00 53.25 N ATOM 609 CA THR A 43 2.755 23.592 -4.160 1.00 52.31 C ATOM 610 C THR A 43 4.043 23.321 -3.380 1.00 60.42 C ATOM 611 O THR A 43 4.067 23.415 -2.149 1.00 24.43 O ATOM 612 CB THR A 43 2.487 25.103 -4.282 1.00 71.31 C ATOM 613 OG1 THR A 43 1.199 25.300 -4.902 1.00 22.32 O ATOM 614 CG2 THR A 43 3.543 25.763 -5.138 1.00 31.42 C ATOM 0 H THR A 43 1.464 23.332 -2.574 1.00 53.25 H new ATOM 0 HA THR A 43 2.868 23.186 -5.165 1.00 52.31 H new ATOM 0 HB THR A 43 2.508 25.546 -3.286 1.00 71.31 H new ATOM 0 HG1 THR A 43 1.018 26.260 -4.983 1.00 22.32 H new ATOM 0 HG21 THR A 43 3.336 26.831 -5.212 1.00 31.42 H new ATOM 0 HG22 THR A 43 4.523 25.614 -4.686 1.00 31.42 H new ATOM 0 HG23 THR A 43 3.532 25.321 -6.134 1.00 31.42 H new ATOM 622 N GLY A 44 5.078 22.935 -4.082 1.00 23.23 N ATOM 623 CA GLY A 44 6.331 22.624 -3.448 1.00 31.40 C ATOM 624 C GLY A 44 6.566 21.142 -3.451 1.00 42.00 C ATOM 625 O GLY A 44 7.619 20.658 -3.022 1.00 15.34 O ATOM 0 H GLY A 44 5.076 22.829 -5.096 1.00 23.23 H new ATOM 0 HA2 GLY A 44 7.145 23.129 -3.969 1.00 31.40 H new ATOM 0 HA3 GLY A 44 6.330 22.996 -2.424 1.00 31.40 H new ATOM 629 N VAL A 45 5.587 20.428 -3.961 1.00 11.43 N ATOM 630 CA VAL A 45 5.625 18.993 -4.039 1.00 3.43 C ATOM 631 C VAL A 45 6.531 18.611 -5.195 1.00 63.42 C ATOM 632 O VAL A 45 6.514 19.256 -6.255 1.00 31.14 O ATOM 633 CB VAL A 45 4.201 18.406 -4.268 1.00 32.30 C ATOM 634 CG1 VAL A 45 4.205 16.898 -4.190 1.00 73.22 C ATOM 635 CG2 VAL A 45 3.200 18.986 -3.284 1.00 51.31 C ATOM 0 H VAL A 45 4.732 20.838 -4.337 1.00 11.43 H new ATOM 0 HA VAL A 45 6.003 18.587 -3.101 1.00 3.43 H new ATOM 0 HB VAL A 45 3.894 18.691 -5.274 1.00 32.30 H new ATOM 0 HG11 VAL A 45 3.195 16.522 -4.354 1.00 73.22 H new ATOM 0 HG12 VAL A 45 4.871 16.496 -4.954 1.00 73.22 H new ATOM 0 HG13 VAL A 45 4.552 16.586 -3.205 1.00 73.22 H new ATOM 0 HG21 VAL A 45 2.216 18.556 -3.470 1.00 51.31 H new ATOM 0 HG22 VAL A 45 3.512 18.751 -2.266 1.00 51.31 H new ATOM 0 HG23 VAL A 45 3.153 20.068 -3.408 1.00 51.31 H new ATOM 645 N SER A 46 7.326 17.617 -5.002 1.00 2.24 N ATOM 646 CA SER A 46 8.257 17.208 -6.004 1.00 60.33 C ATOM 647 C SER A 46 7.591 16.275 -7.034 1.00 52.02 C ATOM 648 O SER A 46 6.449 15.817 -6.827 1.00 62.34 O ATOM 649 CB SER A 46 9.450 16.595 -5.305 1.00 64.40 C ATOM 650 OG SER A 46 9.901 17.515 -4.304 1.00 22.14 O ATOM 0 H SER A 46 7.352 17.062 -4.146 1.00 2.24 H new ATOM 0 HA SER A 46 8.605 18.060 -6.587 1.00 60.33 H new ATOM 0 HB2 SER A 46 9.177 15.642 -4.851 1.00 64.40 H new ATOM 0 HB3 SER A 46 10.247 16.390 -6.020 1.00 64.40 H new ATOM 0 HG SER A 46 10.674 17.136 -3.836 1.00 22.14 H new ATOM 656 N ARG A 47 8.270 16.052 -8.163 1.00 53.11 N ATOM 657 CA ARG A 47 7.753 15.192 -9.240 1.00 3.11 C ATOM 658 C ARG A 47 7.596 13.767 -8.734 1.00 12.34 C ATOM 659 O ARG A 47 6.671 13.054 -9.094 1.00 30.13 O ATOM 660 CB ARG A 47 8.659 15.251 -10.480 1.00 70.24 C ATOM 661 CG ARG A 47 10.086 14.785 -10.250 1.00 21.12 C ATOM 662 CD ARG A 47 10.925 14.870 -11.499 1.00 74.35 C ATOM 663 NE ARG A 47 12.245 14.268 -11.307 1.00 50.11 N ATOM 664 CZ ARG A 47 13.286 14.432 -12.131 1.00 61.05 C ATOM 665 NH1 ARG A 47 13.199 15.262 -13.165 1.00 12.33 N ATOM 666 NH2 ARG A 47 14.414 13.768 -11.919 1.00 35.35 N ATOM 0 H ARG A 47 9.186 16.457 -8.359 1.00 53.11 H new ATOM 0 HA ARG A 47 6.773 15.560 -9.542 1.00 3.11 H new ATOM 0 HB2 ARG A 47 8.215 14.641 -11.266 1.00 70.24 H new ATOM 0 HB3 ARG A 47 8.682 16.277 -10.847 1.00 70.24 H new ATOM 0 HG2 ARG A 47 10.542 15.391 -9.467 1.00 21.12 H new ATOM 0 HG3 ARG A 47 10.076 13.756 -9.891 1.00 21.12 H new ATOM 0 HD2 ARG A 47 10.411 14.366 -12.318 1.00 74.35 H new ATOM 0 HD3 ARG A 47 11.040 15.914 -11.790 1.00 74.35 H new ATOM 0 HE ARG A 47 12.381 13.680 -10.485 1.00 50.11 H new ATOM 0 HH11 ARG A 47 12.335 15.778 -13.334 1.00 12.33 H new ATOM 0 HH12 ARG A 47 13.996 15.383 -13.790 1.00 12.33 H new ATOM 0 HH21 ARG A 47 14.489 13.131 -11.126 1.00 35.35 H new ATOM 0 HH22 ARG A 47 15.206 13.895 -12.549 1.00 35.35 H new ATOM 680 N ARG A 48 8.519 13.394 -7.909 1.00 41.04 N ATOM 681 CA ARG A 48 8.498 12.192 -7.167 1.00 70.40 C ATOM 682 C ARG A 48 8.765 12.662 -5.784 1.00 33.41 C ATOM 683 O ARG A 48 9.859 13.062 -5.487 1.00 73.10 O ATOM 684 CB ARG A 48 9.589 11.211 -7.640 1.00 50.51 C ATOM 685 CG ARG A 48 9.405 10.739 -9.077 1.00 35.44 C ATOM 686 CD ARG A 48 10.550 9.859 -9.554 1.00 22.35 C ATOM 687 NE ARG A 48 10.711 8.622 -8.777 1.00 70.51 N ATOM 688 CZ ARG A 48 11.506 7.603 -9.118 1.00 35.11 C ATOM 689 NH1 ARG A 48 12.252 7.656 -10.225 1.00 60.04 N ATOM 690 NH2 ARG A 48 11.558 6.544 -8.347 1.00 45.22 N ATOM 0 H ARG A 48 9.351 13.957 -7.730 1.00 41.04 H new ATOM 0 HA ARG A 48 7.563 11.642 -7.270 1.00 70.40 H new ATOM 0 HB2 ARG A 48 10.563 11.691 -7.546 1.00 50.51 H new ATOM 0 HB3 ARG A 48 9.597 10.344 -6.980 1.00 50.51 H new ATOM 0 HG2 ARG A 48 8.469 10.186 -9.157 1.00 35.44 H new ATOM 0 HG3 ARG A 48 9.320 11.606 -9.732 1.00 35.44 H new ATOM 0 HD2 ARG A 48 10.386 9.601 -10.600 1.00 22.35 H new ATOM 0 HD3 ARG A 48 11.478 10.429 -9.508 1.00 22.35 H new ATOM 0 HE ARG A 48 10.176 8.535 -7.913 1.00 70.51 H new ATOM 0 HH11 ARG A 48 12.220 8.482 -10.823 1.00 60.04 H new ATOM 0 HH12 ARG A 48 12.854 6.871 -10.472 1.00 60.04 H new ATOM 0 HH21 ARG A 48 10.995 6.504 -7.497 1.00 45.22 H new ATOM 0 HH22 ARG A 48 12.161 5.760 -8.597 1.00 45.22 H new ATOM 704 N HIS A 49 7.729 12.764 -5.014 1.00 43.45 N ATOM 705 CA HIS A 49 7.806 13.313 -3.670 1.00 62.12 C ATOM 706 C HIS A 49 7.860 12.185 -2.673 1.00 63.04 C ATOM 707 O HIS A 49 8.550 12.258 -1.660 1.00 22.25 O ATOM 708 CB HIS A 49 6.591 14.267 -3.425 1.00 72.13 C ATOM 709 CG HIS A 49 6.399 14.777 -2.009 1.00 44.42 C ATOM 710 ND1 HIS A 49 6.509 16.113 -1.697 1.00 23.54 N ATOM 711 CD2 HIS A 49 6.030 14.098 -0.897 1.00 71.31 C ATOM 712 CE1 HIS A 49 6.199 16.194 -0.407 1.00 24.42 C ATOM 713 NE2 HIS A 49 5.911 15.005 0.108 1.00 23.22 N ATOM 0 H HIS A 49 6.792 12.470 -5.289 1.00 43.45 H new ATOM 0 HA HIS A 49 8.714 13.904 -3.549 1.00 62.12 H new ATOM 0 HB2 HIS A 49 6.696 15.128 -4.085 1.00 72.13 H new ATOM 0 HB3 HIS A 49 5.682 13.744 -3.724 1.00 72.13 H new ATOM 0 HD1 HIS A 49 6.772 16.876 -2.321 1.00 23.54 H new ATOM 0 HD2 HIS A 49 5.862 13.034 -0.823 1.00 71.31 H new ATOM 0 HE1 HIS A 49 6.183 17.116 0.155 1.00 24.42 H new ATOM 721 N LEU A 50 7.133 11.162 -2.966 1.00 32.02 N ATOM 722 CA LEU A 50 7.073 9.998 -2.158 1.00 11.13 C ATOM 723 C LEU A 50 6.532 8.903 -3.010 1.00 43.43 C ATOM 724 O LEU A 50 5.749 9.163 -3.911 1.00 74.01 O ATOM 725 CB LEU A 50 6.209 10.265 -0.897 1.00 62.31 C ATOM 726 CG LEU A 50 5.928 9.089 0.049 1.00 12.54 C ATOM 727 CD1 LEU A 50 5.686 9.616 1.444 1.00 4.34 C ATOM 728 CD2 LEU A 50 4.680 8.328 -0.397 1.00 41.34 C ATOM 0 H LEU A 50 6.547 11.113 -3.800 1.00 32.02 H new ATOM 0 HA LEU A 50 8.057 9.709 -1.789 1.00 11.13 H new ATOM 0 HB2 LEU A 50 6.697 11.049 -0.318 1.00 62.31 H new ATOM 0 HB3 LEU A 50 5.250 10.663 -1.228 1.00 62.31 H new ATOM 0 HG LEU A 50 6.789 8.420 0.032 1.00 12.54 H new ATOM 0 HD11 LEU A 50 5.486 8.783 2.118 1.00 4.34 H new ATOM 0 HD12 LEU A 50 6.568 10.157 1.787 1.00 4.34 H new ATOM 0 HD13 LEU A 50 4.829 10.289 1.435 1.00 4.34 H new ATOM 0 HD21 LEU A 50 4.497 7.498 0.285 1.00 41.34 H new ATOM 0 HD22 LEU A 50 3.822 9.000 -0.390 1.00 41.34 H new ATOM 0 HD23 LEU A 50 4.830 7.942 -1.405 1.00 41.34 H new ATOM 740 N GLU A 51 6.964 7.719 -2.772 1.00 4.23 N ATOM 741 CA GLU A 51 6.541 6.593 -3.542 1.00 73.35 C ATOM 742 C GLU A 51 6.423 5.363 -2.679 1.00 61.32 C ATOM 743 O GLU A 51 7.196 5.164 -1.733 1.00 4.41 O ATOM 744 CB GLU A 51 7.467 6.400 -4.740 1.00 15.32 C ATOM 745 CG GLU A 51 8.942 6.518 -4.416 1.00 55.23 C ATOM 746 CD GLU A 51 9.791 6.471 -5.656 1.00 54.15 C ATOM 747 OE1 GLU A 51 9.844 7.461 -6.399 1.00 35.32 O ATOM 748 OE2 GLU A 51 10.435 5.425 -5.916 1.00 25.41 O ATOM 0 H GLU A 51 7.628 7.495 -2.031 1.00 4.23 H new ATOM 0 HA GLU A 51 5.543 6.780 -3.938 1.00 73.35 H new ATOM 0 HB2 GLU A 51 7.280 5.418 -5.174 1.00 15.32 H new ATOM 0 HB3 GLU A 51 7.215 7.138 -5.502 1.00 15.32 H new ATOM 0 HG2 GLU A 51 9.124 7.453 -3.886 1.00 55.23 H new ATOM 0 HG3 GLU A 51 9.233 5.709 -3.745 1.00 55.23 H new ATOM 755 N ILE A 52 5.433 4.576 -2.969 1.00 24.35 N ATOM 756 CA ILE A 52 5.139 3.398 -2.216 1.00 4.35 C ATOM 757 C ILE A 52 5.232 2.188 -3.115 1.00 23.30 C ATOM 758 O ILE A 52 4.633 2.152 -4.185 1.00 5.01 O ATOM 759 CB ILE A 52 3.713 3.463 -1.607 1.00 41.41 C ATOM 760 CG1 ILE A 52 3.581 4.675 -0.671 1.00 0.43 C ATOM 761 CG2 ILE A 52 3.393 2.167 -0.869 1.00 10.00 C ATOM 762 CD1 ILE A 52 2.191 4.880 -0.097 1.00 5.13 C ATOM 0 H ILE A 52 4.796 4.738 -3.749 1.00 24.35 H new ATOM 0 HA ILE A 52 5.863 3.325 -1.405 1.00 4.35 H new ATOM 0 HB ILE A 52 2.993 3.582 -2.416 1.00 41.41 H new ATOM 0 HG12 ILE A 52 4.287 4.561 0.152 1.00 0.43 H new ATOM 0 HG13 ILE A 52 3.871 5.573 -1.217 1.00 0.43 H new ATOM 0 HG21 ILE A 52 2.390 2.227 -0.447 1.00 10.00 H new ATOM 0 HG22 ILE A 52 3.445 1.330 -1.565 1.00 10.00 H new ATOM 0 HG23 ILE A 52 4.116 2.017 -0.067 1.00 10.00 H new ATOM 0 HD11 ILE A 52 2.191 5.756 0.551 1.00 5.13 H new ATOM 0 HD12 ILE A 52 1.480 5.029 -0.910 1.00 5.13 H new ATOM 0 HD13 ILE A 52 1.903 4.002 0.481 1.00 5.13 H new ATOM 774 N ARG A 53 5.976 1.221 -2.696 1.00 54.22 N ATOM 775 CA ARG A 53 6.104 0.002 -3.422 1.00 32.43 C ATOM 776 C ARG A 53 5.343 -1.054 -2.657 1.00 42.51 C ATOM 777 O ARG A 53 5.715 -1.400 -1.530 1.00 42.12 O ATOM 778 CB ARG A 53 7.571 -0.380 -3.558 1.00 45.52 C ATOM 779 CG ARG A 53 7.836 -1.552 -4.482 1.00 43.23 C ATOM 780 CD ARG A 53 9.313 -1.879 -4.506 1.00 54.42 C ATOM 781 NE ARG A 53 9.647 -2.875 -5.527 1.00 41.33 N ATOM 782 CZ ARG A 53 10.457 -3.929 -5.363 1.00 53.41 C ATOM 783 NH1 ARG A 53 11.005 -4.180 -4.182 1.00 63.25 N ATOM 784 NH2 ARG A 53 10.724 -4.721 -6.396 1.00 33.13 N ATOM 0 H ARG A 53 6.518 1.254 -1.832 1.00 54.22 H new ATOM 0 HA ARG A 53 5.702 0.105 -4.430 1.00 32.43 H new ATOM 0 HB2 ARG A 53 8.126 0.485 -3.922 1.00 45.52 H new ATOM 0 HB3 ARG A 53 7.964 -0.618 -2.569 1.00 45.52 H new ATOM 0 HG2 ARG A 53 7.270 -2.422 -4.149 1.00 43.23 H new ATOM 0 HG3 ARG A 53 7.493 -1.315 -5.489 1.00 43.23 H new ATOM 0 HD2 ARG A 53 9.881 -0.968 -4.692 1.00 54.42 H new ATOM 0 HD3 ARG A 53 9.616 -2.250 -3.527 1.00 54.42 H new ATOM 0 HE ARG A 53 9.224 -2.755 -6.447 1.00 41.33 H new ATOM 0 HH11 ARG A 53 10.811 -3.568 -3.389 1.00 63.25 H new ATOM 0 HH12 ARG A 53 11.621 -4.985 -4.066 1.00 63.25 H new ATOM 0 HH21 ARG A 53 10.313 -4.525 -7.309 1.00 33.13 H new ATOM 0 HH22 ARG A 53 11.340 -5.525 -6.276 1.00 33.13 H new ATOM 798 N TRP A 54 4.267 -1.512 -3.220 1.00 2.01 N ATOM 799 CA TRP A 54 3.452 -2.492 -2.572 1.00 64.12 C ATOM 800 C TRP A 54 3.450 -3.791 -3.342 1.00 40.31 C ATOM 801 O TRP A 54 3.262 -3.813 -4.564 1.00 74.35 O ATOM 802 CB TRP A 54 1.999 -1.976 -2.370 1.00 44.32 C ATOM 803 CG TRP A 54 1.031 -3.057 -1.889 1.00 41.25 C ATOM 804 CD1 TRP A 54 -0.037 -3.575 -2.564 1.00 43.32 C ATOM 805 CD2 TRP A 54 1.091 -3.777 -0.649 1.00 22.24 C ATOM 806 NE1 TRP A 54 -0.627 -4.575 -1.821 1.00 1.02 N ATOM 807 CE2 TRP A 54 0.040 -4.708 -0.645 1.00 31.35 C ATOM 808 CE3 TRP A 54 1.928 -3.721 0.448 1.00 53.22 C ATOM 809 CZ2 TRP A 54 -0.187 -5.575 0.418 1.00 4.04 C ATOM 810 CZ3 TRP A 54 1.708 -4.576 1.504 1.00 14.42 C ATOM 811 CH2 TRP A 54 0.658 -5.495 1.485 1.00 61.03 C ATOM 0 H TRP A 54 3.931 -1.218 -4.137 1.00 2.01 H new ATOM 0 HA TRP A 54 3.884 -2.677 -1.588 1.00 64.12 H new ATOM 0 HB2 TRP A 54 2.009 -1.160 -1.647 1.00 44.32 H new ATOM 0 HB3 TRP A 54 1.634 -1.564 -3.311 1.00 44.32 H new ATOM 0 HD1 TRP A 54 -0.371 -3.249 -3.538 1.00 43.32 H new ATOM 0 HE1 TRP A 54 -1.435 -5.127 -2.108 1.00 1.02 H new ATOM 0 HE3 TRP A 54 2.745 -3.015 0.477 1.00 53.22 H new ATOM 0 HZ2 TRP A 54 -1.001 -6.284 0.399 1.00 4.04 H new ATOM 0 HZ3 TRP A 54 2.360 -4.535 2.364 1.00 14.42 H new ATOM 0 HH2 TRP A 54 0.512 -6.153 2.329 1.00 61.03 H new ATOM 822 N ASP A 55 3.681 -4.847 -2.639 1.00 42.34 N ATOM 823 CA ASP A 55 3.582 -6.168 -3.173 1.00 70.12 C ATOM 824 C ASP A 55 3.155 -7.066 -2.036 1.00 33.04 C ATOM 825 O ASP A 55 2.893 -6.569 -0.946 1.00 23.10 O ATOM 826 CB ASP A 55 4.883 -6.650 -3.854 1.00 23.50 C ATOM 827 CG ASP A 55 6.048 -6.939 -2.930 1.00 11.41 C ATOM 828 OD1 ASP A 55 6.044 -7.989 -2.283 1.00 31.41 O ATOM 829 OD2 ASP A 55 7.018 -6.156 -2.905 1.00 74.01 O ATOM 0 H ASP A 55 3.950 -4.818 -1.656 1.00 42.34 H new ATOM 0 HA ASP A 55 2.846 -6.190 -3.977 1.00 70.12 H new ATOM 0 HB2 ASP A 55 4.660 -7.555 -4.419 1.00 23.50 H new ATOM 0 HB3 ASP A 55 5.195 -5.893 -4.574 1.00 23.50 H new ATOM 834 N GLY A 56 3.108 -8.361 -2.246 1.00 24.12 N ATOM 835 CA GLY A 56 2.574 -9.242 -1.224 1.00 35.15 C ATOM 836 C GLY A 56 3.520 -9.516 -0.062 1.00 32.23 C ATOM 837 O GLY A 56 3.197 -10.312 0.837 1.00 15.55 O ATOM 0 H GLY A 56 3.426 -8.825 -3.097 1.00 24.12 H new ATOM 0 HA2 GLY A 56 1.655 -8.806 -0.832 1.00 35.15 H new ATOM 0 HA3 GLY A 56 2.304 -10.191 -1.687 1.00 35.15 H new ATOM 841 N GLN A 57 4.673 -8.902 -0.074 1.00 22.41 N ATOM 842 CA GLN A 57 5.622 -9.052 0.992 1.00 32.11 C ATOM 843 C GLN A 57 5.457 -7.942 2.040 1.00 2.23 C ATOM 844 O GLN A 57 4.883 -8.168 3.115 1.00 51.14 O ATOM 845 CB GLN A 57 7.036 -9.067 0.431 1.00 33.10 C ATOM 846 CG GLN A 57 8.125 -9.282 1.470 1.00 21.33 C ATOM 847 CD GLN A 57 9.526 -9.214 0.899 1.00 41.43 C ATOM 848 OE1 GLN A 57 9.791 -8.517 -0.084 1.00 75.10 O ATOM 849 NE2 GLN A 57 10.436 -9.902 1.524 1.00 2.01 N ATOM 0 H GLN A 57 4.979 -8.283 -0.825 1.00 22.41 H new ATOM 0 HA GLN A 57 5.435 -10.003 1.491 1.00 32.11 H new ATOM 0 HB2 GLN A 57 7.107 -9.854 -0.319 1.00 33.10 H new ATOM 0 HB3 GLN A 57 7.221 -8.122 -0.080 1.00 33.10 H new ATOM 0 HG2 GLN A 57 8.023 -8.530 2.253 1.00 21.33 H new ATOM 0 HG3 GLN A 57 7.980 -10.254 1.941 1.00 21.33 H new ATOM 0 HE21 GLN A 57 10.181 -10.468 2.334 1.00 2.01 H new ATOM 0 HE22 GLN A 57 11.404 -9.876 1.205 1.00 2.01 H new ATOM 858 N VAL A 58 5.909 -6.751 1.717 1.00 42.12 N ATOM 859 CA VAL A 58 5.889 -5.629 2.643 1.00 64.44 C ATOM 860 C VAL A 58 5.409 -4.382 1.953 1.00 52.05 C ATOM 861 O VAL A 58 5.436 -4.292 0.723 1.00 35.24 O ATOM 862 CB VAL A 58 7.293 -5.330 3.275 1.00 34.32 C ATOM 863 CG1 VAL A 58 7.721 -6.419 4.244 1.00 32.21 C ATOM 864 CG2 VAL A 58 8.359 -5.135 2.193 1.00 44.35 C ATOM 0 H VAL A 58 6.303 -6.527 0.803 1.00 42.12 H new ATOM 0 HA VAL A 58 5.207 -5.916 3.443 1.00 64.44 H new ATOM 0 HB VAL A 58 7.195 -4.401 3.837 1.00 34.32 H new ATOM 0 HG11 VAL A 58 8.698 -6.173 4.659 1.00 32.21 H new ATOM 0 HG12 VAL A 58 6.992 -6.495 5.051 1.00 32.21 H new ATOM 0 HG13 VAL A 58 7.780 -7.372 3.718 1.00 32.21 H new ATOM 0 HG21 VAL A 58 9.321 -4.929 2.663 1.00 44.35 H new ATOM 0 HG22 VAL A 58 8.436 -6.040 1.590 1.00 44.35 H new ATOM 0 HG23 VAL A 58 8.080 -4.297 1.555 1.00 44.35 H new ATOM 874 N ALA A 59 4.953 -3.440 2.733 1.00 32.53 N ATOM 875 CA ALA A 59 4.554 -2.165 2.215 1.00 52.42 C ATOM 876 C ALA A 59 5.711 -1.217 2.377 1.00 61.11 C ATOM 877 O ALA A 59 5.995 -0.730 3.479 1.00 44.23 O ATOM 878 CB ALA A 59 3.323 -1.661 2.934 1.00 74.02 C ATOM 0 H ALA A 59 4.849 -3.537 3.743 1.00 32.53 H new ATOM 0 HA ALA A 59 4.293 -2.247 1.160 1.00 52.42 H new ATOM 0 HB1 ALA A 59 3.035 -0.692 2.527 1.00 74.02 H new ATOM 0 HB2 ALA A 59 2.506 -2.369 2.797 1.00 74.02 H new ATOM 0 HB3 ALA A 59 3.539 -1.558 3.997 1.00 74.02 H new ATOM 884 N LEU A 60 6.390 -0.985 1.304 1.00 22.33 N ATOM 885 CA LEU A 60 7.581 -0.203 1.315 1.00 73.44 C ATOM 886 C LEU A 60 7.281 1.259 0.997 1.00 64.41 C ATOM 887 O LEU A 60 6.863 1.598 -0.107 1.00 73.25 O ATOM 888 CB LEU A 60 8.555 -0.812 0.318 1.00 21.01 C ATOM 889 CG LEU A 60 9.926 -0.181 0.194 1.00 13.35 C ATOM 890 CD1 LEU A 60 10.656 -0.218 1.529 1.00 12.31 C ATOM 891 CD2 LEU A 60 10.711 -0.921 -0.870 1.00 54.53 C ATOM 0 H LEU A 60 6.130 -1.338 0.383 1.00 22.33 H new ATOM 0 HA LEU A 60 8.028 -0.213 2.309 1.00 73.44 H new ATOM 0 HB2 LEU A 60 8.692 -1.861 0.581 1.00 21.01 H new ATOM 0 HB3 LEU A 60 8.086 -0.789 -0.665 1.00 21.01 H new ATOM 0 HG LEU A 60 9.822 0.865 -0.095 1.00 13.35 H new ATOM 0 HD11 LEU A 60 11.639 0.240 1.419 1.00 12.31 H new ATOM 0 HD12 LEU A 60 10.081 0.332 2.274 1.00 12.31 H new ATOM 0 HD13 LEU A 60 10.772 -1.253 1.852 1.00 12.31 H new ATOM 0 HD21 LEU A 60 11.701 -0.475 -0.968 1.00 54.53 H new ATOM 0 HD22 LEU A 60 10.812 -1.968 -0.586 1.00 54.53 H new ATOM 0 HD23 LEU A 60 10.186 -0.853 -1.823 1.00 54.53 H new ATOM 903 N LEU A 61 7.485 2.093 1.974 1.00 43.34 N ATOM 904 CA LEU A 61 7.249 3.513 1.885 1.00 14.01 C ATOM 905 C LEU A 61 8.586 4.203 1.715 1.00 45.40 C ATOM 906 O LEU A 61 9.519 3.932 2.468 1.00 54.05 O ATOM 907 CB LEU A 61 6.542 3.952 3.202 1.00 21.40 C ATOM 908 CG LEU A 61 6.116 5.439 3.435 1.00 22.53 C ATOM 909 CD1 LEU A 61 7.288 6.404 3.600 1.00 3.01 C ATOM 910 CD2 LEU A 61 5.179 5.905 2.345 1.00 55.12 C ATOM 0 H LEU A 61 7.832 1.798 2.887 1.00 43.34 H new ATOM 0 HA LEU A 61 6.617 3.777 1.037 1.00 14.01 H new ATOM 0 HB2 LEU A 61 5.642 3.344 3.298 1.00 21.40 H new ATOM 0 HB3 LEU A 61 7.202 3.677 4.025 1.00 21.40 H new ATOM 0 HG LEU A 61 5.590 5.452 4.390 1.00 22.53 H new ATOM 0 HD11 LEU A 61 6.909 7.414 3.757 1.00 3.01 H new ATOM 0 HD12 LEU A 61 7.888 6.104 4.459 1.00 3.01 H new ATOM 0 HD13 LEU A 61 7.905 6.384 2.702 1.00 3.01 H new ATOM 0 HD21 LEU A 61 4.896 6.942 2.527 1.00 55.12 H new ATOM 0 HD22 LEU A 61 5.678 5.830 1.379 1.00 55.12 H new ATOM 0 HD23 LEU A 61 4.286 5.280 2.341 1.00 55.12 H new ATOM 922 N ALA A 62 8.690 5.063 0.730 1.00 55.11 N ATOM 923 CA ALA A 62 9.897 5.819 0.519 1.00 41.12 C ATOM 924 C ALA A 62 9.581 7.285 0.261 1.00 71.13 C ATOM 925 O ALA A 62 8.777 7.615 -0.617 1.00 13.33 O ATOM 926 CB ALA A 62 10.696 5.239 -0.636 1.00 52.52 C ATOM 0 H ALA A 62 7.947 5.256 0.059 1.00 55.11 H new ATOM 0 HA ALA A 62 10.499 5.753 1.425 1.00 41.12 H new ATOM 0 HB1 ALA A 62 11.604 5.824 -0.780 1.00 52.52 H new ATOM 0 HB2 ALA A 62 10.961 4.206 -0.412 1.00 52.52 H new ATOM 0 HB3 ALA A 62 10.096 5.271 -1.546 1.00 52.52 H new ATOM 932 N ASP A 63 10.190 8.139 1.042 1.00 1.14 N ATOM 933 CA ASP A 63 10.081 9.583 0.892 1.00 44.10 C ATOM 934 C ASP A 63 11.146 10.022 -0.077 1.00 51.53 C ATOM 935 O ASP A 63 12.320 9.653 0.075 1.00 34.03 O ATOM 936 CB ASP A 63 10.271 10.284 2.244 1.00 61.32 C ATOM 937 CG ASP A 63 10.368 11.798 2.131 1.00 35.44 C ATOM 938 OD1 ASP A 63 9.314 12.476 2.054 1.00 63.30 O ATOM 939 OD2 ASP A 63 11.503 12.325 2.154 1.00 72.12 O ATOM 0 H ASP A 63 10.789 7.854 1.817 1.00 1.14 H new ATOM 0 HA ASP A 63 9.091 9.849 0.520 1.00 44.10 H new ATOM 0 HB2 ASP A 63 9.437 10.029 2.898 1.00 61.32 H new ATOM 0 HB3 ASP A 63 11.176 9.904 2.718 1.00 61.32 H new ATOM 944 N LEU A 64 10.766 10.765 -1.069 1.00 63.41 N ATOM 945 CA LEU A 64 11.683 11.136 -2.114 1.00 14.23 C ATOM 946 C LEU A 64 11.711 12.667 -2.232 1.00 42.45 C ATOM 947 O LEU A 64 11.054 13.217 -3.090 1.00 20.30 O ATOM 948 CB LEU A 64 11.155 10.501 -3.438 1.00 65.43 C ATOM 949 CG LEU A 64 12.109 10.286 -4.643 1.00 24.10 C ATOM 950 CD1 LEU A 64 12.795 11.558 -5.119 1.00 22.42 C ATOM 951 CD2 LEU A 64 13.111 9.185 -4.361 1.00 52.33 C ATOM 0 H LEU A 64 9.821 11.132 -1.182 1.00 63.41 H new ATOM 0 HA LEU A 64 12.693 10.785 -1.904 1.00 14.23 H new ATOM 0 HB2 LEU A 64 10.734 9.528 -3.183 1.00 65.43 H new ATOM 0 HB3 LEU A 64 10.331 11.123 -3.787 1.00 65.43 H new ATOM 0 HG LEU A 64 11.475 9.970 -5.471 1.00 24.10 H new ATOM 0 HD11 LEU A 64 13.445 11.327 -5.963 1.00 22.42 H new ATOM 0 HD12 LEU A 64 12.042 12.283 -5.428 1.00 22.42 H new ATOM 0 HD13 LEU A 64 13.390 11.976 -4.307 1.00 22.42 H new ATOM 0 HD21 LEU A 64 13.765 9.058 -5.224 1.00 52.33 H new ATOM 0 HD22 LEU A 64 13.708 9.451 -3.489 1.00 52.33 H new ATOM 0 HD23 LEU A 64 12.582 8.252 -4.167 1.00 52.33 H new ATOM 963 N ASN A 65 12.420 13.349 -1.335 1.00 34.32 N ATOM 964 CA ASN A 65 12.562 14.822 -1.401 1.00 73.51 C ATOM 965 C ASN A 65 13.327 15.324 -0.194 1.00 14.33 C ATOM 966 O ASN A 65 13.497 14.608 0.778 1.00 72.21 O ATOM 967 CB ASN A 65 11.189 15.557 -1.475 1.00 42.50 C ATOM 968 CG ASN A 65 10.412 15.487 -0.198 1.00 53.24 C ATOM 969 OD1 ASN A 65 10.516 16.379 0.619 1.00 25.54 O ATOM 970 ND2 ASN A 65 9.637 14.454 -0.024 1.00 12.23 N ATOM 0 H ASN A 65 12.908 12.916 -0.551 1.00 34.32 H new ATOM 0 HA ASN A 65 13.107 15.043 -2.319 1.00 73.51 H new ATOM 0 HB2 ASN A 65 11.358 16.603 -1.733 1.00 42.50 H new ATOM 0 HB3 ASN A 65 10.595 15.122 -2.279 1.00 42.50 H new ATOM 0 HD21 ASN A 65 9.084 14.369 0.829 1.00 12.23 H new ATOM 0 HD22 ASN A 65 9.584 13.730 -0.740 1.00 12.23 H new ATOM 977 N SER A 66 13.844 16.523 -0.284 1.00 61.04 N ATOM 978 CA SER A 66 14.526 17.134 0.840 1.00 74.14 C ATOM 979 C SER A 66 13.694 18.296 1.442 1.00 54.32 C ATOM 980 O SER A 66 13.985 18.794 2.541 1.00 24.33 O ATOM 981 CB SER A 66 15.912 17.600 0.403 1.00 32.45 C ATOM 982 OG SER A 66 16.652 16.512 -0.159 1.00 75.25 O ATOM 0 H SER A 66 13.808 17.101 -1.124 1.00 61.04 H new ATOM 0 HA SER A 66 14.642 16.392 1.630 1.00 74.14 H new ATOM 0 HB2 SER A 66 15.818 18.401 -0.330 1.00 32.45 H new ATOM 0 HB3 SER A 66 16.450 18.011 1.257 1.00 32.45 H new ATOM 0 HG SER A 66 17.538 16.827 -0.436 1.00 75.25 H new ATOM 988 N THR A 67 12.668 18.698 0.720 1.00 25.43 N ATOM 989 CA THR A 67 11.861 19.870 1.045 1.00 72.04 C ATOM 990 C THR A 67 10.816 19.609 2.168 1.00 51.22 C ATOM 991 O THR A 67 10.797 20.280 3.197 1.00 75.42 O ATOM 992 CB THR A 67 11.102 20.286 -0.232 1.00 53.54 C ATOM 993 OG1 THR A 67 12.026 20.344 -1.334 1.00 34.31 O ATOM 994 CG2 THR A 67 10.434 21.639 -0.069 1.00 10.35 C ATOM 0 H THR A 67 12.361 18.215 -0.125 1.00 25.43 H new ATOM 0 HA THR A 67 12.536 20.645 1.408 1.00 72.04 H new ATOM 0 HB THR A 67 10.325 19.545 -0.422 1.00 53.54 H new ATOM 0 HG1 THR A 67 11.548 20.606 -2.148 1.00 34.31 H new ATOM 0 HG21 THR A 67 9.909 21.899 -0.988 1.00 10.35 H new ATOM 0 HG22 THR A 67 9.722 21.596 0.755 1.00 10.35 H new ATOM 0 HG23 THR A 67 11.190 22.395 0.143 1.00 10.35 H new ATOM 1002 N ASN A 68 10.001 18.620 1.945 1.00 63.20 N ATOM 1003 CA ASN A 68 8.809 18.330 2.735 1.00 40.13 C ATOM 1004 C ASN A 68 8.891 16.940 3.303 1.00 34.04 C ATOM 1005 O ASN A 68 7.852 16.303 3.499 1.00 11.12 O ATOM 1006 CB ASN A 68 7.555 18.433 1.857 1.00 35.23 C ATOM 1007 CG ASN A 68 7.241 19.830 1.365 1.00 41.44 C ATOM 1008 OD1 ASN A 68 7.546 20.821 2.016 1.00 75.13 O ATOM 1009 ND2 ASN A 68 6.623 19.922 0.209 1.00 25.24 N ATOM 0 H ASN A 68 10.142 17.959 1.181 1.00 63.20 H new ATOM 0 HA ASN A 68 8.749 19.056 3.546 1.00 40.13 H new ATOM 0 HB2 ASN A 68 7.677 17.777 0.995 1.00 35.23 H new ATOM 0 HB3 ASN A 68 6.701 18.061 2.422 1.00 35.23 H new ATOM 0 HD21 ASN A 68 6.384 20.838 -0.170 1.00 25.24 H new ATOM 0 HD22 ASN A 68 6.382 19.077 -0.309 1.00 25.24 H new ATOM 1016 N GLY A 69 10.132 16.486 3.560 1.00 73.43 N ATOM 1017 CA GLY A 69 10.421 15.104 3.957 1.00 62.32 C ATOM 1018 C GLY A 69 9.437 14.552 4.951 1.00 40.31 C ATOM 1019 O GLY A 69 9.295 15.061 6.085 1.00 44.42 O ATOM 0 H GLY A 69 10.963 17.074 3.496 1.00 73.43 H new ATOM 0 HA2 GLY A 69 10.424 14.471 3.069 1.00 62.32 H new ATOM 0 HA3 GLY A 69 11.423 15.058 4.384 1.00 62.32 H new ATOM 1023 N THR A 70 8.746 13.554 4.484 1.00 42.35 N ATOM 1024 CA THR A 70 7.642 12.930 5.133 1.00 25.25 C ATOM 1025 C THR A 70 8.009 12.301 6.489 1.00 3.32 C ATOM 1026 O THR A 70 9.076 11.680 6.663 1.00 64.00 O ATOM 1027 CB THR A 70 7.059 11.872 4.181 1.00 45.13 C ATOM 1028 OG1 THR A 70 6.823 12.478 2.892 1.00 63.13 O ATOM 1029 CG2 THR A 70 5.758 11.317 4.707 1.00 1.34 C ATOM 0 H THR A 70 8.957 13.130 3.580 1.00 42.35 H new ATOM 0 HA THR A 70 6.902 13.698 5.359 1.00 25.25 H new ATOM 0 HB THR A 70 7.774 11.054 4.098 1.00 45.13 H new ATOM 0 HG1 THR A 70 7.568 12.269 2.291 1.00 63.13 H new ATOM 0 HG21 THR A 70 5.372 10.572 4.011 1.00 1.34 H new ATOM 0 HG22 THR A 70 5.927 10.853 5.679 1.00 1.34 H new ATOM 0 HG23 THR A 70 5.034 12.125 4.812 1.00 1.34 H new ATOM 1037 N THR A 71 7.123 12.476 7.437 1.00 11.15 N ATOM 1038 CA THR A 71 7.285 11.937 8.739 1.00 53.03 C ATOM 1039 C THR A 71 6.425 10.704 8.925 1.00 34.10 C ATOM 1040 O THR A 71 5.318 10.625 8.404 1.00 62.31 O ATOM 1041 CB THR A 71 6.928 12.981 9.810 1.00 32.41 C ATOM 1042 OG1 THR A 71 5.753 13.703 9.422 1.00 64.33 O ATOM 1043 CG2 THR A 71 8.065 13.933 10.035 1.00 61.54 C ATOM 0 H THR A 71 6.261 13.006 7.311 1.00 11.15 H new ATOM 0 HA THR A 71 8.332 11.656 8.852 1.00 53.03 H new ATOM 0 HB THR A 71 6.734 12.455 10.745 1.00 32.41 H new ATOM 0 HG1 THR A 71 5.368 14.147 10.206 1.00 64.33 H new ATOM 0 HG21 THR A 71 7.785 14.660 10.797 1.00 61.54 H new ATOM 0 HG22 THR A 71 8.943 13.379 10.367 1.00 61.54 H new ATOM 0 HG23 THR A 71 8.294 14.452 9.105 1.00 61.54 H new ATOM 1051 N VAL A 72 6.953 9.744 9.621 1.00 62.10 N ATOM 1052 CA VAL A 72 6.243 8.552 9.959 1.00 30.11 C ATOM 1053 C VAL A 72 6.206 8.458 11.477 1.00 40.22 C ATOM 1054 O VAL A 72 7.250 8.489 12.150 1.00 12.45 O ATOM 1055 CB VAL A 72 6.867 7.275 9.314 1.00 5.13 C ATOM 1056 CG1 VAL A 72 6.816 7.368 7.796 1.00 35.24 C ATOM 1057 CG2 VAL A 72 8.298 7.078 9.766 1.00 44.55 C ATOM 0 H VAL A 72 7.909 9.769 9.976 1.00 62.10 H new ATOM 0 HA VAL A 72 5.232 8.604 9.556 1.00 30.11 H new ATOM 0 HB VAL A 72 6.280 6.417 9.641 1.00 5.13 H new ATOM 0 HG11 VAL A 72 7.255 6.470 7.361 1.00 35.24 H new ATOM 0 HG12 VAL A 72 5.779 7.459 7.472 1.00 35.24 H new ATOM 0 HG13 VAL A 72 7.377 8.242 7.466 1.00 35.24 H new ATOM 0 HG21 VAL A 72 8.706 6.181 9.301 1.00 44.55 H new ATOM 0 HG22 VAL A 72 8.894 7.942 9.473 1.00 44.55 H new ATOM 0 HG23 VAL A 72 8.325 6.969 10.850 1.00 44.55 H new ATOM 1067 N ASN A 73 5.011 8.474 12.007 1.00 2.12 N ATOM 1068 CA ASN A 73 4.749 8.454 13.430 1.00 44.50 C ATOM 1069 C ASN A 73 5.358 9.673 14.115 1.00 61.13 C ATOM 1070 O ASN A 73 5.788 9.622 15.264 1.00 71.05 O ATOM 1071 CB ASN A 73 5.135 7.105 14.065 1.00 4.52 C ATOM 1072 CG ASN A 73 4.195 5.996 13.591 1.00 14.45 C ATOM 1073 OD1 ASN A 73 3.022 6.248 13.302 1.00 63.33 O ATOM 1074 ND2 ASN A 73 4.682 4.783 13.507 1.00 2.42 N ATOM 0 H ASN A 73 4.161 8.502 11.444 1.00 2.12 H new ATOM 0 HA ASN A 73 3.674 8.535 13.588 1.00 44.50 H new ATOM 0 HB2 ASN A 73 6.163 6.854 13.802 1.00 4.52 H new ATOM 0 HB3 ASN A 73 5.094 7.184 15.151 1.00 4.52 H new ATOM 0 HD21 ASN A 73 4.087 4.015 13.196 1.00 2.42 H new ATOM 0 HD22 ASN A 73 5.656 4.606 13.753 1.00 2.42 H new ATOM 1081 N ASN A 74 5.364 10.784 13.342 1.00 1.20 N ATOM 1082 CA ASN A 74 5.786 12.135 13.769 1.00 63.55 C ATOM 1083 C ASN A 74 7.326 12.276 13.810 1.00 33.42 C ATOM 1084 O ASN A 74 7.875 13.219 14.395 1.00 50.35 O ATOM 1085 CB ASN A 74 5.120 12.537 15.114 1.00 31.22 C ATOM 1086 CG ASN A 74 5.156 14.034 15.396 1.00 63.33 C ATOM 1087 OD1 ASN A 74 5.117 14.863 14.480 1.00 44.32 O ATOM 1088 ND2 ASN A 74 5.223 14.396 16.649 1.00 21.53 N ATOM 0 H ASN A 74 5.063 10.761 12.368 1.00 1.20 H new ATOM 0 HA ASN A 74 5.434 12.840 13.015 1.00 63.55 H new ATOM 0 HB2 ASN A 74 4.083 12.203 15.109 1.00 31.22 H new ATOM 0 HB3 ASN A 74 5.620 12.012 15.928 1.00 31.22 H new ATOM 0 HD21 ASN A 74 5.244 15.386 16.893 1.00 21.53 H new ATOM 0 HD22 ASN A 74 5.254 13.689 17.383 1.00 21.53 H new ATOM 1095 N ALA A 75 8.018 11.353 13.163 1.00 13.40 N ATOM 1096 CA ALA A 75 9.471 11.412 13.041 1.00 63.33 C ATOM 1097 C ALA A 75 9.859 11.258 11.568 1.00 44.25 C ATOM 1098 O ALA A 75 9.286 10.422 10.873 1.00 12.00 O ATOM 1099 CB ALA A 75 10.118 10.323 13.885 1.00 53.32 C ATOM 0 H ALA A 75 7.594 10.544 12.708 1.00 13.40 H new ATOM 0 HA ALA A 75 9.828 12.375 13.405 1.00 63.33 H new ATOM 0 HB1 ALA A 75 11.202 10.380 13.784 1.00 53.32 H new ATOM 0 HB2 ALA A 75 9.844 10.462 14.931 1.00 53.32 H new ATOM 0 HB3 ALA A 75 9.773 9.346 13.546 1.00 53.32 H new ATOM 1105 N PRO A 76 10.781 12.086 11.054 1.00 74.40 N ATOM 1106 CA PRO A 76 11.192 12.030 9.642 1.00 60.34 C ATOM 1107 C PRO A 76 12.109 10.840 9.336 1.00 33.33 C ATOM 1108 O PRO A 76 12.962 10.467 10.153 1.00 71.51 O ATOM 1109 CB PRO A 76 11.927 13.358 9.440 1.00 53.11 C ATOM 1110 CG PRO A 76 12.483 13.690 10.784 1.00 53.10 C ATOM 1111 CD PRO A 76 11.502 13.150 11.795 1.00 62.20 C ATOM 0 HA PRO A 76 10.342 11.893 8.974 1.00 60.34 H new ATOM 0 HB2 PRO A 76 12.718 13.264 8.696 1.00 53.11 H new ATOM 0 HB3 PRO A 76 11.250 14.136 9.088 1.00 53.11 H new ATOM 0 HG2 PRO A 76 13.467 13.241 10.919 1.00 53.10 H new ATOM 0 HG3 PRO A 76 12.606 14.767 10.898 1.00 53.10 H new ATOM 0 HD2 PRO A 76 12.011 12.752 12.673 1.00 62.20 H new ATOM 0 HD3 PRO A 76 10.821 13.925 12.145 1.00 62.20 H new ATOM 1119 N VAL A 77 11.902 10.230 8.178 1.00 53.11 N ATOM 1120 CA VAL A 77 12.698 9.087 7.722 1.00 52.34 C ATOM 1121 C VAL A 77 12.873 9.180 6.222 1.00 12.00 C ATOM 1122 O VAL A 77 12.288 10.063 5.581 1.00 74.11 O ATOM 1123 CB VAL A 77 12.019 7.705 8.019 1.00 63.01 C ATOM 1124 CG1 VAL A 77 11.859 7.441 9.507 1.00 43.15 C ATOM 1125 CG2 VAL A 77 10.682 7.584 7.292 1.00 20.20 C ATOM 0 H VAL A 77 11.174 10.511 7.521 1.00 53.11 H new ATOM 0 HA VAL A 77 13.644 9.131 8.262 1.00 52.34 H new ATOM 0 HB VAL A 77 12.690 6.936 7.635 1.00 63.01 H new ATOM 0 HG11 VAL A 77 11.384 6.471 9.655 1.00 43.15 H new ATOM 0 HG12 VAL A 77 12.839 7.442 9.984 1.00 43.15 H new ATOM 0 HG13 VAL A 77 11.239 8.220 9.950 1.00 43.15 H new ATOM 0 HG21 VAL A 77 10.233 6.616 7.515 1.00 20.20 H new ATOM 0 HG22 VAL A 77 10.014 8.379 7.623 1.00 20.20 H new ATOM 0 HG23 VAL A 77 10.843 7.670 6.217 1.00 20.20 H new ATOM 1135 N GLN A 78 13.661 8.286 5.671 1.00 34.13 N ATOM 1136 CA GLN A 78 13.813 8.182 4.235 1.00 60.04 C ATOM 1137 C GLN A 78 12.876 7.099 3.731 1.00 31.11 C ATOM 1138 O GLN A 78 12.140 7.291 2.775 1.00 55.30 O ATOM 1139 CB GLN A 78 15.252 7.833 3.840 1.00 74.34 C ATOM 1140 CG GLN A 78 16.297 8.811 4.336 1.00 33.31 C ATOM 1141 CD GLN A 78 17.677 8.521 3.784 1.00 64.11 C ATOM 1142 OE1 GLN A 78 17.829 8.018 2.663 1.00 12.42 O ATOM 1143 NE2 GLN A 78 18.685 8.801 4.562 1.00 54.13 N ATOM 0 H GLN A 78 14.213 7.612 6.201 1.00 34.13 H new ATOM 0 HA GLN A 78 13.572 9.147 3.789 1.00 60.04 H new ATOM 0 HB2 GLN A 78 15.490 6.841 4.225 1.00 74.34 H new ATOM 0 HB3 GLN A 78 15.313 7.777 2.753 1.00 74.34 H new ATOM 0 HG2 GLN A 78 16.004 9.823 4.056 1.00 33.31 H new ATOM 0 HG3 GLN A 78 16.331 8.778 5.425 1.00 33.31 H new ATOM 0 HE21 GLN A 78 18.521 9.215 5.480 1.00 54.13 H new ATOM 0 HE22 GLN A 78 19.637 8.606 4.253 1.00 54.13 H new ATOM 1152 N GLU A 79 12.895 5.968 4.400 1.00 73.23 N ATOM 1153 CA GLU A 79 12.063 4.848 4.038 1.00 51.40 C ATOM 1154 C GLU A 79 11.552 4.136 5.279 1.00 24.33 C ATOM 1155 O GLU A 79 12.207 4.152 6.328 1.00 61.11 O ATOM 1156 CB GLU A 79 12.784 3.902 3.066 1.00 0.32 C ATOM 1157 CG GLU A 79 14.198 3.532 3.469 1.00 73.33 C ATOM 1158 CD GLU A 79 14.852 2.628 2.465 1.00 64.54 C ATOM 1159 OE1 GLU A 79 14.949 2.998 1.269 1.00 30.25 O ATOM 1160 OE2 GLU A 79 15.267 1.516 2.839 1.00 60.55 O ATOM 0 H GLU A 79 13.490 5.801 5.212 1.00 73.23 H new ATOM 0 HA GLU A 79 11.191 5.225 3.504 1.00 51.40 H new ATOM 0 HB2 GLU A 79 12.198 2.988 2.969 1.00 0.32 H new ATOM 0 HB3 GLU A 79 12.812 4.368 2.081 1.00 0.32 H new ATOM 0 HG2 GLU A 79 14.792 4.439 3.581 1.00 73.33 H new ATOM 0 HG3 GLU A 79 14.181 3.041 4.442 1.00 73.33 H new ATOM 1167 N TRP A 80 10.390 3.537 5.158 1.00 53.04 N ATOM 1168 CA TRP A 80 9.694 2.923 6.270 1.00 51.22 C ATOM 1169 C TRP A 80 8.819 1.789 5.752 1.00 50.12 C ATOM 1170 O TRP A 80 8.403 1.805 4.595 1.00 12.23 O ATOM 1171 CB TRP A 80 8.836 4.024 6.947 1.00 50.54 C ATOM 1172 CG TRP A 80 7.966 3.621 8.101 1.00 22.10 C ATOM 1173 CD1 TRP A 80 6.623 3.355 8.067 1.00 24.33 C ATOM 1174 CD2 TRP A 80 8.362 3.500 9.465 1.00 21.32 C ATOM 1175 NE1 TRP A 80 6.170 3.055 9.322 1.00 24.24 N ATOM 1176 CE2 TRP A 80 7.219 3.141 10.203 1.00 54.54 C ATOM 1177 CE3 TRP A 80 9.580 3.653 10.135 1.00 1.51 C ATOM 1178 CZ2 TRP A 80 7.256 2.937 11.576 1.00 5.01 C ATOM 1179 CZ3 TRP A 80 9.612 3.451 11.497 1.00 22.41 C ATOM 1180 CH2 TRP A 80 8.457 3.097 12.203 1.00 43.51 C ATOM 0 H TRP A 80 9.892 3.460 4.271 1.00 53.04 H new ATOM 0 HA TRP A 80 10.392 2.503 6.994 1.00 51.22 H new ATOM 0 HB2 TRP A 80 9.509 4.808 7.293 1.00 50.54 H new ATOM 0 HB3 TRP A 80 8.196 4.467 6.184 1.00 50.54 H new ATOM 0 HD1 TRP A 80 6.010 3.379 7.178 1.00 24.33 H new ATOM 0 HE1 TRP A 80 5.210 2.808 9.564 1.00 24.24 H new ATOM 0 HE3 TRP A 80 10.476 3.924 9.596 1.00 1.51 H new ATOM 0 HZ2 TRP A 80 6.368 2.662 12.126 1.00 5.01 H new ATOM 0 HZ3 TRP A 80 10.544 3.568 12.029 1.00 22.41 H new ATOM 0 HH2 TRP A 80 8.518 2.947 13.271 1.00 43.51 H new ATOM 1191 N GLN A 81 8.588 0.796 6.568 1.00 61.31 N ATOM 1192 CA GLN A 81 7.665 -0.257 6.209 1.00 24.51 C ATOM 1193 C GLN A 81 6.323 0.031 6.861 1.00 42.02 C ATOM 1194 O GLN A 81 6.214 0.067 8.087 1.00 43.04 O ATOM 1195 CB GLN A 81 8.189 -1.678 6.555 1.00 13.40 C ATOM 1196 CG GLN A 81 8.488 -1.945 8.031 1.00 23.02 C ATOM 1197 CD GLN A 81 8.892 -3.389 8.310 1.00 55.05 C ATOM 1198 OE1 GLN A 81 8.642 -3.922 9.394 1.00 30.04 O ATOM 1199 NE2 GLN A 81 9.522 -4.030 7.361 1.00 71.44 N ATOM 0 H GLN A 81 9.023 0.690 7.485 1.00 61.31 H new ATOM 0 HA GLN A 81 7.553 -0.261 5.125 1.00 24.51 H new ATOM 0 HB2 GLN A 81 7.452 -2.407 6.217 1.00 13.40 H new ATOM 0 HB3 GLN A 81 9.100 -1.856 5.983 1.00 13.40 H new ATOM 0 HG2 GLN A 81 9.288 -1.281 8.359 1.00 23.02 H new ATOM 0 HG3 GLN A 81 7.607 -1.700 8.624 1.00 23.02 H new ATOM 0 HE21 GLN A 81 9.716 -3.566 6.474 1.00 71.44 H new ATOM 0 HE22 GLN A 81 9.819 -4.995 7.508 1.00 71.44 H new ATOM 1208 N LEU A 82 5.337 0.302 6.040 1.00 62.53 N ATOM 1209 CA LEU A 82 4.000 0.667 6.509 1.00 72.10 C ATOM 1210 C LEU A 82 3.366 -0.428 7.346 1.00 71.32 C ATOM 1211 O LEU A 82 3.370 -1.611 6.956 1.00 44.32 O ATOM 1212 CB LEU A 82 3.062 0.936 5.334 1.00 15.02 C ATOM 1213 CG LEU A 82 3.512 1.966 4.315 1.00 23.14 C ATOM 1214 CD1 LEU A 82 2.472 2.138 3.218 1.00 40.13 C ATOM 1215 CD2 LEU A 82 3.761 3.265 5.001 1.00 55.33 C ATOM 0 H LEU A 82 5.428 0.279 5.024 1.00 62.53 H new ATOM 0 HA LEU A 82 4.133 1.563 7.115 1.00 72.10 H new ATOM 0 HB2 LEU A 82 2.894 -0.006 4.812 1.00 15.02 H new ATOM 0 HB3 LEU A 82 2.100 1.254 5.735 1.00 15.02 H new ATOM 0 HG LEU A 82 4.434 1.619 3.849 1.00 23.14 H new ATOM 0 HD11 LEU A 82 2.819 2.882 2.501 1.00 40.13 H new ATOM 0 HD12 LEU A 82 2.319 1.186 2.709 1.00 40.13 H new ATOM 0 HD13 LEU A 82 1.531 2.469 3.657 1.00 40.13 H new ATOM 0 HD21 LEU A 82 4.084 4.006 4.270 1.00 55.33 H new ATOM 0 HD22 LEU A 82 2.843 3.605 5.481 1.00 55.33 H new ATOM 0 HD23 LEU A 82 4.538 3.135 5.755 1.00 55.33 H new ATOM 1227 N ALA A 83 2.839 -0.039 8.476 1.00 33.12 N ATOM 1228 CA ALA A 83 2.063 -0.907 9.304 1.00 22.31 C ATOM 1229 C ALA A 83 0.729 -0.238 9.552 1.00 73.25 C ATOM 1230 O ALA A 83 0.616 1.000 9.465 1.00 74.22 O ATOM 1231 CB ALA A 83 2.771 -1.193 10.621 1.00 22.00 C ATOM 0 H ALA A 83 2.941 0.905 8.848 1.00 33.12 H new ATOM 0 HA ALA A 83 1.922 -1.865 8.804 1.00 22.31 H new ATOM 0 HB1 ALA A 83 2.155 -1.856 11.229 1.00 22.00 H new ATOM 0 HB2 ALA A 83 3.731 -1.670 10.422 1.00 22.00 H new ATOM 0 HB3 ALA A 83 2.935 -0.258 11.157 1.00 22.00 H new ATOM 1237 N ASP A 84 -0.272 -1.031 9.819 1.00 71.05 N ATOM 1238 CA ASP A 84 -1.617 -0.536 10.093 1.00 12.33 C ATOM 1239 C ASP A 84 -1.616 0.323 11.342 1.00 43.02 C ATOM 1240 O ASP A 84 -1.172 -0.115 12.399 1.00 13.42 O ATOM 1241 CB ASP A 84 -2.583 -1.709 10.258 1.00 30.25 C ATOM 1242 CG ASP A 84 -3.974 -1.290 10.688 1.00 52.35 C ATOM 1243 OD1 ASP A 84 -4.785 -0.912 9.838 1.00 51.42 O ATOM 1244 OD2 ASP A 84 -4.284 -1.375 11.891 1.00 65.12 O ATOM 0 H ASP A 84 -0.190 -2.047 9.856 1.00 71.05 H new ATOM 0 HA ASP A 84 -1.945 0.074 9.252 1.00 12.33 H new ATOM 0 HB2 ASP A 84 -2.650 -2.249 9.314 1.00 30.25 H new ATOM 0 HB3 ASP A 84 -2.177 -2.403 10.994 1.00 30.25 H new ATOM 1249 N GLY A 85 -2.065 1.544 11.210 1.00 14.40 N ATOM 1250 CA GLY A 85 -2.103 2.438 12.340 1.00 53.15 C ATOM 1251 C GLY A 85 -0.927 3.397 12.378 1.00 34.10 C ATOM 1252 O GLY A 85 -0.743 4.121 13.363 1.00 40.24 O ATOM 0 H GLY A 85 -2.408 1.942 10.336 1.00 14.40 H new ATOM 0 HA2 GLY A 85 -3.030 3.010 12.312 1.00 53.15 H new ATOM 0 HA3 GLY A 85 -2.117 1.852 13.259 1.00 53.15 H new ATOM 1256 N ASP A 86 -0.101 3.390 11.339 1.00 60.54 N ATOM 1257 CA ASP A 86 1.014 4.341 11.279 1.00 2.14 C ATOM 1258 C ASP A 86 0.553 5.683 10.787 1.00 2.20 C ATOM 1259 O ASP A 86 -0.248 5.770 9.840 1.00 32.20 O ATOM 1260 CB ASP A 86 2.209 3.855 10.442 1.00 11.44 C ATOM 1261 CG ASP A 86 3.047 2.797 11.126 1.00 62.31 C ATOM 1262 OD1 ASP A 86 3.050 2.728 12.396 1.00 54.32 O ATOM 1263 OD2 ASP A 86 3.767 2.052 10.416 1.00 63.00 O ATOM 0 H ASP A 86 -0.173 2.756 10.543 1.00 60.54 H new ATOM 0 HA ASP A 86 1.372 4.428 12.305 1.00 2.14 H new ATOM 0 HB2 ASP A 86 1.840 3.457 9.497 1.00 11.44 H new ATOM 0 HB3 ASP A 86 2.843 4.708 10.203 1.00 11.44 H new ATOM 1268 N VAL A 87 1.043 6.722 11.428 1.00 32.14 N ATOM 1269 CA VAL A 87 0.679 8.085 11.100 1.00 4.00 C ATOM 1270 C VAL A 87 1.765 8.700 10.253 1.00 34.11 C ATOM 1271 O VAL A 87 2.850 8.926 10.709 1.00 21.40 O ATOM 1272 CB VAL A 87 0.492 8.943 12.379 1.00 34.44 C ATOM 1273 CG1 VAL A 87 0.040 10.359 12.039 1.00 70.23 C ATOM 1274 CG2 VAL A 87 -0.482 8.279 13.338 1.00 15.24 C ATOM 0 H VAL A 87 1.709 6.645 12.196 1.00 32.14 H new ATOM 0 HA VAL A 87 -0.266 8.063 10.557 1.00 4.00 H new ATOM 0 HB VAL A 87 1.461 9.016 12.873 1.00 34.44 H new ATOM 0 HG11 VAL A 87 -0.081 10.933 12.958 1.00 70.23 H new ATOM 0 HG12 VAL A 87 0.789 10.838 11.408 1.00 70.23 H new ATOM 0 HG13 VAL A 87 -0.911 10.320 11.508 1.00 70.23 H new ATOM 0 HG21 VAL A 87 -0.597 8.899 14.227 1.00 15.24 H new ATOM 0 HG22 VAL A 87 -1.450 8.161 12.850 1.00 15.24 H new ATOM 0 HG23 VAL A 87 -0.099 7.300 13.626 1.00 15.24 H new ATOM 1284 N ILE A 88 1.465 8.974 9.056 1.00 63.13 N ATOM 1285 CA ILE A 88 2.415 9.509 8.134 1.00 15.44 C ATOM 1286 C ILE A 88 2.009 10.936 7.809 1.00 41.54 C ATOM 1287 O ILE A 88 0.831 11.228 7.736 1.00 61.04 O ATOM 1288 CB ILE A 88 2.431 8.620 6.876 1.00 34.24 C ATOM 1289 CG1 ILE A 88 2.799 7.189 7.274 1.00 63.11 C ATOM 1290 CG2 ILE A 88 3.382 9.146 5.815 1.00 34.23 C ATOM 1291 CD1 ILE A 88 2.757 6.210 6.145 1.00 34.35 C ATOM 0 H ILE A 88 0.534 8.836 8.662 1.00 63.13 H new ATOM 0 HA ILE A 88 3.421 9.522 8.554 1.00 15.44 H new ATOM 0 HB ILE A 88 1.434 8.634 6.436 1.00 34.24 H new ATOM 0 HG12 ILE A 88 3.801 7.189 7.703 1.00 63.11 H new ATOM 0 HG13 ILE A 88 2.117 6.854 8.056 1.00 63.11 H new ATOM 0 HG21 ILE A 88 3.359 8.487 4.947 1.00 34.23 H new ATOM 0 HG22 ILE A 88 3.076 10.149 5.517 1.00 34.23 H new ATOM 0 HG23 ILE A 88 4.394 9.180 6.218 1.00 34.23 H new ATOM 0 HD11 ILE A 88 3.031 5.220 6.511 1.00 34.35 H new ATOM 0 HD12 ILE A 88 1.750 6.177 5.729 1.00 34.35 H new ATOM 0 HD13 ILE A 88 3.460 6.517 5.371 1.00 34.35 H new ATOM 1303 N ARG A 89 2.948 11.830 7.678 1.00 44.03 N ATOM 1304 CA ARG A 89 2.597 13.200 7.422 1.00 51.45 C ATOM 1305 C ARG A 89 3.526 13.871 6.419 1.00 25.45 C ATOM 1306 O ARG A 89 4.755 13.859 6.573 1.00 41.33 O ATOM 1307 CB ARG A 89 2.524 13.981 8.736 1.00 61.22 C ATOM 1308 CG ARG A 89 2.118 15.425 8.576 1.00 75.35 C ATOM 1309 CD ARG A 89 1.938 16.090 9.920 1.00 60.10 C ATOM 1310 NE ARG A 89 1.574 17.493 9.771 1.00 43.33 N ATOM 1311 CZ ARG A 89 0.699 18.153 10.533 1.00 54.23 C ATOM 1312 NH1 ARG A 89 0.041 17.529 11.516 1.00 12.23 N ATOM 1313 NH2 ARG A 89 0.477 19.439 10.299 1.00 32.00 N ATOM 0 H ARG A 89 3.948 11.641 7.743 1.00 44.03 H new ATOM 0 HA ARG A 89 1.610 13.203 6.959 1.00 51.45 H new ATOM 0 HB2 ARG A 89 1.814 13.487 9.400 1.00 61.22 H new ATOM 0 HB3 ARG A 89 3.498 13.941 9.224 1.00 61.22 H new ATOM 0 HG2 ARG A 89 2.876 15.958 8.002 1.00 75.35 H new ATOM 0 HG3 ARG A 89 1.189 15.484 8.010 1.00 75.35 H new ATOM 0 HD2 ARG A 89 1.165 15.569 10.485 1.00 60.10 H new ATOM 0 HD3 ARG A 89 2.861 16.010 10.494 1.00 60.10 H new ATOM 0 HE ARG A 89 2.026 18.015 9.021 1.00 43.33 H new ATOM 0 HH11 ARG A 89 0.205 16.538 11.690 1.00 12.23 H new ATOM 0 HH12 ARG A 89 -0.625 18.045 12.091 1.00 12.23 H new ATOM 0 HH21 ARG A 89 0.972 19.913 9.544 1.00 32.00 H new ATOM 0 HH22 ARG A 89 -0.189 19.954 10.874 1.00 32.00 H new ATOM 1327 N LEU A 90 2.925 14.429 5.393 1.00 23.33 N ATOM 1328 CA LEU A 90 3.612 15.185 4.378 1.00 64.33 C ATOM 1329 C LEU A 90 2.810 16.442 4.147 1.00 24.33 C ATOM 1330 O LEU A 90 1.589 16.405 4.267 1.00 71.23 O ATOM 1331 CB LEU A 90 3.832 14.372 3.057 1.00 23.15 C ATOM 1332 CG LEU A 90 2.608 13.733 2.341 1.00 33.41 C ATOM 1333 CD1 LEU A 90 3.027 13.224 0.977 1.00 30.31 C ATOM 1334 CD2 LEU A 90 2.045 12.557 3.130 1.00 60.33 C ATOM 0 H LEU A 90 1.918 14.366 5.240 1.00 23.33 H new ATOM 0 HA LEU A 90 4.619 15.430 4.716 1.00 64.33 H new ATOM 0 HB2 LEU A 90 4.320 15.035 2.342 1.00 23.15 H new ATOM 0 HB3 LEU A 90 4.536 13.570 3.280 1.00 23.15 H new ATOM 0 HG LEU A 90 1.841 14.503 2.255 1.00 33.41 H new ATOM 0 HD11 LEU A 90 2.169 12.776 0.476 1.00 30.31 H new ATOM 0 HD12 LEU A 90 3.404 14.054 0.379 1.00 30.31 H new ATOM 0 HD13 LEU A 90 3.810 12.475 1.093 1.00 30.31 H new ATOM 0 HD21 LEU A 90 1.191 12.137 2.598 1.00 60.33 H new ATOM 0 HD22 LEU A 90 2.814 11.793 3.242 1.00 60.33 H new ATOM 0 HD23 LEU A 90 1.726 12.899 4.115 1.00 60.33 H new ATOM 1346 N GLY A 91 3.488 17.545 3.878 1.00 24.20 N ATOM 1347 CA GLY A 91 2.846 18.853 3.751 1.00 15.04 C ATOM 1348 C GLY A 91 1.763 18.960 2.689 1.00 21.00 C ATOM 1349 O GLY A 91 2.045 19.356 1.549 1.00 12.15 O ATOM 0 H GLY A 91 4.499 17.565 3.741 1.00 24.20 H new ATOM 0 HA2 GLY A 91 2.411 19.118 4.715 1.00 15.04 H new ATOM 0 HA3 GLY A 91 3.615 19.594 3.534 1.00 15.04 H new ATOM 1353 N HIS A 92 0.538 18.636 3.100 1.00 53.01 N ATOM 1354 CA HIS A 92 -0.710 18.719 2.325 1.00 52.21 C ATOM 1355 C HIS A 92 -1.730 17.854 3.033 1.00 0.03 C ATOM 1356 O HIS A 92 -2.868 18.273 3.308 1.00 33.21 O ATOM 1357 CB HIS A 92 -0.568 18.218 0.856 1.00 74.32 C ATOM 1358 CG HIS A 92 -1.837 18.351 0.035 1.00 22.34 C ATOM 1359 ND1 HIS A 92 -2.303 19.543 -0.461 1.00 61.31 N ATOM 1360 CD2 HIS A 92 -2.746 17.415 -0.337 1.00 62.22 C ATOM 1361 CE1 HIS A 92 -3.450 19.312 -1.099 1.00 1.35 C ATOM 1362 NE2 HIS A 92 -3.768 18.030 -1.056 1.00 13.43 N ATOM 0 H HIS A 92 0.375 18.285 4.044 1.00 53.01 H new ATOM 0 HA HIS A 92 -1.003 19.767 2.268 1.00 52.21 H new ATOM 0 HB2 HIS A 92 0.229 18.778 0.367 1.00 74.32 H new ATOM 0 HB3 HIS A 92 -0.262 17.172 0.867 1.00 74.32 H new ATOM 0 HD1 HIS A 92 -1.849 20.451 -0.359 1.00 61.31 H new ATOM 0 HD2 HIS A 92 -2.687 16.361 -0.111 1.00 62.22 H new ATOM 0 HE1 HIS A 92 -4.042 20.072 -1.587 1.00 1.35 H new ATOM 1370 N SER A 93 -1.305 16.659 3.362 1.00 41.11 N ATOM 1371 CA SER A 93 -2.160 15.690 3.956 1.00 52.31 C ATOM 1372 C SER A 93 -1.399 14.772 4.880 1.00 21.31 C ATOM 1373 O SER A 93 -0.286 14.311 4.572 1.00 72.34 O ATOM 1374 CB SER A 93 -2.851 14.854 2.867 1.00 73.23 C ATOM 1375 OG SER A 93 -3.685 15.659 2.055 1.00 74.01 O ATOM 0 H SER A 93 -0.347 16.340 3.219 1.00 41.11 H new ATOM 0 HA SER A 93 -2.907 16.227 4.541 1.00 52.31 H new ATOM 0 HB2 SER A 93 -2.099 14.365 2.248 1.00 73.23 H new ATOM 0 HB3 SER A 93 -3.443 14.065 3.331 1.00 73.23 H new ATOM 0 HG SER A 93 -4.456 15.963 2.578 1.00 74.01 H new ATOM 1381 N GLU A 94 -1.963 14.549 6.019 1.00 30.04 N ATOM 1382 CA GLU A 94 -1.479 13.539 6.888 1.00 41.23 C ATOM 1383 C GLU A 94 -2.267 12.287 6.562 1.00 20.04 C ATOM 1384 O GLU A 94 -3.447 12.368 6.217 1.00 34.21 O ATOM 1385 CB GLU A 94 -1.574 13.971 8.356 1.00 52.10 C ATOM 1386 CG GLU A 94 -2.947 14.410 8.817 1.00 23.13 C ATOM 1387 CD GLU A 94 -2.896 15.050 10.169 1.00 11.54 C ATOM 1388 OE1 GLU A 94 -2.858 14.330 11.186 1.00 40.21 O ATOM 1389 OE2 GLU A 94 -2.863 16.291 10.247 1.00 14.32 O ATOM 0 H GLU A 94 -2.771 15.063 6.370 1.00 30.04 H new ATOM 0 HA GLU A 94 -0.417 13.346 6.739 1.00 41.23 H new ATOM 0 HB2 GLU A 94 -1.247 13.141 8.983 1.00 52.10 H new ATOM 0 HB3 GLU A 94 -0.875 14.791 8.522 1.00 52.10 H new ATOM 0 HG2 GLU A 94 -3.366 15.113 8.097 1.00 23.13 H new ATOM 0 HG3 GLU A 94 -3.614 13.549 8.847 1.00 23.13 H new ATOM 1396 N ILE A 95 -1.624 11.180 6.590 1.00 30.42 N ATOM 1397 CA ILE A 95 -2.200 9.954 6.146 1.00 32.33 C ATOM 1398 C ILE A 95 -1.958 8.835 7.147 1.00 4.14 C ATOM 1399 O ILE A 95 -0.878 8.706 7.696 1.00 25.02 O ATOM 1400 CB ILE A 95 -1.706 9.624 4.660 1.00 21.34 C ATOM 1401 CG1 ILE A 95 -2.065 8.200 4.143 1.00 65.25 C ATOM 1402 CG2 ILE A 95 -0.226 9.919 4.464 1.00 43.20 C ATOM 1403 CD1 ILE A 95 -1.194 7.052 4.665 1.00 21.12 C ATOM 0 H ILE A 95 -0.665 11.092 6.927 1.00 30.42 H new ATOM 0 HA ILE A 95 -3.284 10.056 6.095 1.00 32.33 H new ATOM 0 HB ILE A 95 -2.282 10.309 4.038 1.00 21.34 H new ATOM 0 HG12 ILE A 95 -3.102 7.991 4.407 1.00 65.25 H new ATOM 0 HG13 ILE A 95 -2.008 8.206 3.055 1.00 65.25 H new ATOM 0 HG21 ILE A 95 0.060 9.679 3.440 1.00 43.20 H new ATOM 0 HG22 ILE A 95 -0.037 10.975 4.655 1.00 43.20 H new ATOM 0 HG23 ILE A 95 0.360 9.315 5.156 1.00 43.20 H new ATOM 0 HD11 ILE A 95 -1.538 6.111 4.237 1.00 21.12 H new ATOM 0 HD12 ILE A 95 -0.156 7.223 4.378 1.00 21.12 H new ATOM 0 HD13 ILE A 95 -1.267 7.005 5.752 1.00 21.12 H new ATOM 1415 N ILE A 96 -2.978 8.066 7.402 1.00 42.15 N ATOM 1416 CA ILE A 96 -2.895 6.938 8.295 1.00 22.35 C ATOM 1417 C ILE A 96 -3.125 5.658 7.493 1.00 23.34 C ATOM 1418 O ILE A 96 -4.081 5.566 6.703 1.00 60.11 O ATOM 1419 CB ILE A 96 -3.922 7.043 9.465 1.00 42.54 C ATOM 1420 CG1 ILE A 96 -3.676 8.337 10.267 1.00 35.54 C ATOM 1421 CG2 ILE A 96 -3.818 5.820 10.383 1.00 22.23 C ATOM 1422 CD1 ILE A 96 -4.662 8.574 11.394 1.00 23.43 C ATOM 0 H ILE A 96 -3.902 8.203 6.993 1.00 42.15 H new ATOM 0 HA ILE A 96 -1.903 6.924 8.747 1.00 22.35 H new ATOM 0 HB ILE A 96 -4.928 7.073 9.046 1.00 42.54 H new ATOM 0 HG12 ILE A 96 -2.669 8.306 10.683 1.00 35.54 H new ATOM 0 HG13 ILE A 96 -3.713 9.186 9.584 1.00 35.54 H new ATOM 0 HG21 ILE A 96 -4.542 5.911 11.193 1.00 22.23 H new ATOM 0 HG22 ILE A 96 -4.026 4.916 9.810 1.00 22.23 H new ATOM 0 HG23 ILE A 96 -2.812 5.762 10.799 1.00 22.23 H new ATOM 0 HD11 ILE A 96 -4.415 9.505 11.904 1.00 23.43 H new ATOM 0 HD12 ILE A 96 -5.671 8.640 10.987 1.00 23.43 H new ATOM 0 HD13 ILE A 96 -4.610 7.747 12.102 1.00 23.43 H new ATOM 1434 N VAL A 97 -2.233 4.710 7.658 1.00 4.53 N ATOM 1435 CA VAL A 97 -2.293 3.446 6.948 1.00 31.32 C ATOM 1436 C VAL A 97 -3.283 2.490 7.589 1.00 34.33 C ATOM 1437 O VAL A 97 -3.239 2.255 8.798 1.00 74.44 O ATOM 1438 CB VAL A 97 -0.884 2.796 6.856 1.00 21.11 C ATOM 1439 CG1 VAL A 97 -0.953 1.360 6.360 1.00 52.11 C ATOM 1440 CG2 VAL A 97 -0.027 3.600 5.916 1.00 70.02 C ATOM 0 H VAL A 97 -1.438 4.791 8.292 1.00 4.53 H new ATOM 0 HA VAL A 97 -2.644 3.656 5.937 1.00 31.32 H new ATOM 0 HB VAL A 97 -0.454 2.787 7.858 1.00 21.11 H new ATOM 0 HG11 VAL A 97 0.053 0.943 6.310 1.00 52.11 H new ATOM 0 HG12 VAL A 97 -1.558 0.767 7.046 1.00 52.11 H new ATOM 0 HG13 VAL A 97 -1.404 1.339 5.368 1.00 52.11 H new ATOM 0 HG21 VAL A 97 0.962 3.148 5.849 1.00 70.02 H new ATOM 0 HG22 VAL A 97 -0.487 3.616 4.928 1.00 70.02 H new ATOM 0 HG23 VAL A 97 0.065 4.620 6.290 1.00 70.02 H new ATOM 1450 N ARG A 98 -4.179 1.967 6.781 1.00 60.31 N ATOM 1451 CA ARG A 98 -5.162 1.013 7.217 1.00 44.13 C ATOM 1452 C ARG A 98 -4.995 -0.277 6.459 1.00 64.33 C ATOM 1453 O ARG A 98 -4.792 -0.277 5.251 1.00 60.30 O ATOM 1454 CB ARG A 98 -6.573 1.572 7.017 1.00 72.20 C ATOM 1455 CG ARG A 98 -6.843 2.809 7.838 1.00 73.13 C ATOM 1456 CD ARG A 98 -6.802 2.475 9.302 1.00 42.21 C ATOM 1457 NE ARG A 98 -6.944 3.629 10.174 1.00 61.51 N ATOM 1458 CZ ARG A 98 -6.624 3.601 11.474 1.00 31.23 C ATOM 1459 NH1 ARG A 98 -6.286 2.443 12.048 1.00 24.11 N ATOM 1460 NH2 ARG A 98 -6.675 4.707 12.202 1.00 43.00 N ATOM 0 H ARG A 98 -4.242 2.199 5.790 1.00 60.31 H new ATOM 0 HA ARG A 98 -5.018 0.818 8.280 1.00 44.13 H new ATOM 0 HB2 ARG A 98 -6.719 1.805 5.962 1.00 72.20 H new ATOM 0 HB3 ARG A 98 -7.302 0.804 7.278 1.00 72.20 H new ATOM 0 HG2 ARG A 98 -6.102 3.575 7.611 1.00 73.13 H new ATOM 0 HG3 ARG A 98 -7.818 3.222 7.578 1.00 73.13 H new ATOM 0 HD2 ARG A 98 -7.597 1.764 9.525 1.00 42.21 H new ATOM 0 HD3 ARG A 98 -5.858 1.978 9.525 1.00 42.21 H new ATOM 0 HE ARG A 98 -7.303 4.498 9.779 1.00 61.51 H new ATOM 0 HH11 ARG A 98 -6.272 1.585 11.496 1.00 24.11 H new ATOM 0 HH12 ARG A 98 -6.041 2.417 13.038 1.00 24.11 H new ATOM 0 HH21 ARG A 98 -6.959 5.587 11.773 1.00 43.00 H new ATOM 0 HH22 ARG A 98 -6.430 4.678 13.192 1.00 43.00 H new ATOM 1474 N MET A 99 -5.029 -1.352 7.162 1.00 63.41 N ATOM 1475 CA MET A 99 -4.926 -2.654 6.563 1.00 61.32 C ATOM 1476 C MET A 99 -6.162 -3.457 6.839 1.00 62.53 C ATOM 1477 O MET A 99 -6.672 -3.474 7.965 1.00 74.11 O ATOM 1478 CB MET A 99 -3.692 -3.416 7.044 1.00 51.32 C ATOM 1479 CG MET A 99 -2.374 -2.807 6.609 1.00 72.04 C ATOM 1480 SD MET A 99 -0.955 -3.752 7.188 1.00 63.45 S ATOM 1481 CE MET A 99 0.380 -2.839 6.422 1.00 75.01 C ATOM 0 H MET A 99 -5.129 -1.364 8.177 1.00 63.41 H new ATOM 0 HA MET A 99 -4.822 -2.504 5.488 1.00 61.32 H new ATOM 0 HB2 MET A 99 -3.713 -3.468 8.133 1.00 51.32 H new ATOM 0 HB3 MET A 99 -3.745 -4.440 6.675 1.00 51.32 H new ATOM 0 HG2 MET A 99 -2.347 -2.746 5.521 1.00 72.04 H new ATOM 0 HG3 MET A 99 -2.306 -1.787 6.987 1.00 72.04 H new ATOM 0 HE1 MET A 99 1.333 -3.299 6.684 1.00 75.01 H new ATOM 0 HE2 MET A 99 0.256 -2.853 5.339 1.00 75.01 H new ATOM 0 HE3 MET A 99 0.366 -1.808 6.776 1.00 75.01 H new ATOM 1491 N HIS A 100 -6.653 -4.076 5.821 1.00 72.13 N ATOM 1492 CA HIS A 100 -7.806 -4.926 5.907 1.00 71.24 C ATOM 1493 C HIS A 100 -7.338 -6.306 6.287 1.00 74.12 C ATOM 1494 O HIS A 100 -7.501 -6.703 7.461 1.00 74.25 O ATOM 1495 CB HIS A 100 -8.559 -4.977 4.565 1.00 21.35 C ATOM 1496 CG HIS A 100 -9.136 -3.661 4.092 1.00 63.42 C ATOM 1497 ND1 HIS A 100 -10.457 -3.484 3.751 1.00 61.11 N ATOM 1498 CD2 HIS A 100 -8.536 -2.464 3.866 1.00 21.22 C ATOM 1499 CE1 HIS A 100 -10.620 -2.224 3.337 1.00 52.53 C ATOM 1500 NE2 HIS A 100 -9.480 -1.557 3.387 1.00 22.01 N ATOM 1501 OXT HIS A 100 -6.734 -6.990 5.435 1.00 39.96 O ATOM 0 H HIS A 100 -6.261 -4.008 4.882 1.00 72.13 H new ATOM 0 HA HIS A 100 -8.494 -4.533 6.655 1.00 71.24 H new ATOM 0 HB2 HIS A 100 -7.878 -5.351 3.800 1.00 21.35 H new ATOM 0 HB3 HIS A 100 -9.370 -5.700 4.651 1.00 21.35 H new ATOM 0 HD1 HIS A 100 -11.188 -4.194 3.805 1.00 61.11 H new ATOM 0 HD2 HIS A 100 -7.491 -2.248 4.031 1.00 21.22 H new ATOM 0 HE1 HIS A 100 -11.559 -1.806 3.005 1.00 52.53 H new