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 71 THR OG1 : rot -14:sc= -1.72! USER MOD Set 1.2: A 74 ASN : amide:sc= -0.0904 K(o=-1.8,f=-2.7) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.272 K(o=1.1,f=-0.81) USER MOD Set 2.2: A 70 THR OG1 : rot 104:sc= 1.4 USER MOD Set 3.1: A 46 SER OG : rot 148:sc= 1.38 USER MOD Set 3.2: A 65 ASN : amide:sc= 2.2 K(o=3.6,f=-5.3!) USER MOD Set 4.1: A 21 TYR OH : rot -155:sc= 1.23 USER MOD Set 4.2: A 28 ASN : amide:sc= -0.803! C(o=0.42!,f=-7.9!) USER MOD Set 5.1: A 10 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 100 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.16) USER MOD Single : A 7 THR OG1 : rot 32:sc= 0.17 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.376 K(o=-0.38,f=-4.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.5 F(o=-1.3,f=-0.5) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.22! C(o=-1.2!,f=-6.8!) USER MOD Single : A 37 GLN : amide:sc= -0.0225 K(o=-0.022,f=-0.53) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.49) 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= -2.47! K(o=-2.5!,f=-3.1) USER MOD Single : A 73 ASN : amide:sc= 0.626 K(o=0.63,f=-0.0078) USER MOD Single : A 78 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 81 GLN : amide:sc= 0.567 K(o=0.57,f=-7.8!) USER MOD Single : A 92 HIS : no HE2:sc= 0.27 K(o=0.27,f=-0.95) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00383 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N THR A 7 -3.782 -8.828 2.530 1.00 20.32 N ATOM 63 CA THR A 7 -3.589 -7.513 3.073 1.00 4.22 C ATOM 64 C THR A 7 -3.937 -6.477 2.011 1.00 70.31 C ATOM 65 O THR A 7 -3.433 -6.542 0.878 1.00 74.43 O ATOM 66 CB THR A 7 -2.120 -7.315 3.539 1.00 73.30 C ATOM 67 OG1 THR A 7 -1.751 -8.393 4.427 1.00 74.12 O ATOM 68 CG2 THR A 7 -1.958 -5.987 4.277 1.00 44.13 C ATOM 0 HA THR A 7 -4.240 -7.392 3.939 1.00 4.22 H new ATOM 0 HB THR A 7 -1.476 -7.310 2.659 1.00 73.30 H new ATOM 0 HG1 THR A 7 -2.231 -9.208 4.170 1.00 74.12 H new ATOM 0 HG21 THR A 7 -0.921 -5.871 4.594 1.00 44.13 H new ATOM 0 HG22 THR A 7 -2.229 -5.166 3.613 1.00 44.13 H new ATOM 0 HG23 THR A 7 -2.608 -5.975 5.152 1.00 44.13 H new ATOM 76 N SER A 8 -4.827 -5.584 2.339 1.00 13.44 N ATOM 77 CA SER A 8 -5.184 -4.521 1.455 1.00 52.23 C ATOM 78 C SER A 8 -4.863 -3.197 2.145 1.00 0.23 C ATOM 79 O SER A 8 -5.453 -2.855 3.161 1.00 10.45 O ATOM 80 CB SER A 8 -6.666 -4.623 1.143 1.00 12.55 C ATOM 81 OG SER A 8 -6.992 -5.948 0.722 1.00 30.02 O ATOM 0 H SER A 8 -5.324 -5.576 3.230 1.00 13.44 H new ATOM 0 HA SER A 8 -4.627 -4.581 0.520 1.00 52.23 H new ATOM 0 HB2 SER A 8 -7.250 -4.360 2.025 1.00 12.55 H new ATOM 0 HB3 SER A 8 -6.930 -3.910 0.362 1.00 12.55 H new ATOM 0 HG SER A 8 -7.951 -6.002 0.525 1.00 30.02 H new ATOM 87 N VAL A 9 -3.943 -2.468 1.614 1.00 62.14 N ATOM 88 CA VAL A 9 -3.511 -1.251 2.242 1.00 3.41 C ATOM 89 C VAL A 9 -4.261 -0.096 1.625 1.00 52.55 C ATOM 90 O VAL A 9 -4.272 0.072 0.414 1.00 33.55 O ATOM 91 CB VAL A 9 -1.992 -1.040 2.088 1.00 44.42 C ATOM 92 CG1 VAL A 9 -1.522 0.136 2.921 1.00 51.32 C ATOM 93 CG2 VAL A 9 -1.222 -2.298 2.458 1.00 10.51 C ATOM 0 H VAL A 9 -3.467 -2.689 0.739 1.00 62.14 H new ATOM 0 HA VAL A 9 -3.723 -1.313 3.309 1.00 3.41 H new ATOM 0 HB VAL A 9 -1.793 -0.819 1.039 1.00 44.42 H new ATOM 0 HG11 VAL A 9 -0.447 0.264 2.795 1.00 51.32 H new ATOM 0 HG12 VAL A 9 -2.036 1.041 2.596 1.00 51.32 H new ATOM 0 HG13 VAL A 9 -1.745 -0.050 3.972 1.00 51.32 H new ATOM 0 HG21 VAL A 9 -0.153 -2.119 2.339 1.00 10.51 H new ATOM 0 HG22 VAL A 9 -1.433 -2.562 3.494 1.00 10.51 H new ATOM 0 HG23 VAL A 9 -1.527 -3.116 1.806 1.00 10.51 H new ATOM 103 N THR A 10 -4.881 0.681 2.443 1.00 42.40 N ATOM 104 CA THR A 10 -5.700 1.750 1.988 1.00 43.34 C ATOM 105 C THR A 10 -5.338 3.001 2.754 1.00 21.14 C ATOM 106 O THR A 10 -5.340 3.007 3.984 1.00 53.24 O ATOM 107 CB THR A 10 -7.202 1.404 2.187 1.00 44.21 C ATOM 108 OG1 THR A 10 -7.499 0.147 1.540 1.00 34.12 O ATOM 109 CG2 THR A 10 -8.103 2.476 1.603 1.00 52.34 C ATOM 0 H THR A 10 -4.833 0.591 3.458 1.00 42.40 H new ATOM 0 HA THR A 10 -5.532 1.913 0.923 1.00 43.34 H new ATOM 0 HB THR A 10 -7.388 1.338 3.259 1.00 44.21 H new ATOM 0 HG1 THR A 10 -8.446 -0.071 1.668 1.00 34.12 H new ATOM 0 HG21 THR A 10 -9.146 2.200 1.761 1.00 52.34 H new ATOM 0 HG22 THR A 10 -7.901 3.428 2.094 1.00 52.34 H new ATOM 0 HG23 THR A 10 -7.910 2.571 0.534 1.00 52.34 H new ATOM 117 N LEU A 11 -4.967 4.028 2.046 1.00 23.11 N ATOM 118 CA LEU A 11 -4.647 5.259 2.676 1.00 55.24 C ATOM 119 C LEU A 11 -5.895 6.110 2.816 1.00 44.10 C ATOM 120 O LEU A 11 -6.736 6.167 1.912 1.00 35.43 O ATOM 121 CB LEU A 11 -3.426 5.967 2.026 1.00 10.21 C ATOM 122 CG LEU A 11 -3.436 6.242 0.508 1.00 1.34 C ATOM 123 CD1 LEU A 11 -4.350 7.397 0.133 1.00 44.21 C ATOM 124 CD2 LEU A 11 -2.025 6.499 0.008 1.00 31.35 C ATOM 0 H LEU A 11 -4.881 4.029 1.030 1.00 23.11 H new ATOM 0 HA LEU A 11 -4.301 5.062 3.691 1.00 55.24 H new ATOM 0 HB2 LEU A 11 -3.294 6.923 2.532 1.00 10.21 H new ATOM 0 HB3 LEU A 11 -2.543 5.366 2.245 1.00 10.21 H new ATOM 0 HG LEU A 11 -3.833 5.350 0.023 1.00 1.34 H new ATOM 0 HD11 LEU A 11 -4.320 7.549 -0.946 1.00 44.21 H new ATOM 0 HD12 LEU A 11 -5.371 7.168 0.439 1.00 44.21 H new ATOM 0 HD13 LEU A 11 -4.015 8.304 0.636 1.00 44.21 H new ATOM 0 HD21 LEU A 11 -2.048 6.691 -1.065 1.00 31.35 H new ATOM 0 HD22 LEU A 11 -1.609 7.365 0.523 1.00 31.35 H new ATOM 0 HD23 LEU A 11 -1.404 5.626 0.206 1.00 31.35 H new ATOM 136 N GLN A 12 -6.028 6.690 3.957 1.00 75.52 N ATOM 137 CA GLN A 12 -7.198 7.413 4.352 1.00 25.33 C ATOM 138 C GLN A 12 -6.877 8.899 4.379 1.00 33.40 C ATOM 139 O GLN A 12 -6.084 9.357 5.216 1.00 64.40 O ATOM 140 CB GLN A 12 -7.576 6.924 5.763 1.00 51.43 C ATOM 141 CG GLN A 12 -9.032 7.122 6.207 1.00 63.21 C ATOM 142 CD GLN A 12 -9.436 8.561 6.428 1.00 62.43 C ATOM 143 OE1 GLN A 12 -9.288 9.097 7.522 1.00 50.41 O ATOM 144 NE2 GLN A 12 -9.976 9.183 5.425 1.00 62.22 N ATOM 0 H GLN A 12 -5.300 6.677 4.672 1.00 75.52 H new ATOM 0 HA GLN A 12 -8.023 7.250 3.659 1.00 25.33 H new ATOM 0 HB2 GLN A 12 -7.345 5.860 5.825 1.00 51.43 H new ATOM 0 HB3 GLN A 12 -6.932 7.432 6.481 1.00 51.43 H new ATOM 0 HG2 GLN A 12 -9.689 6.686 5.455 1.00 63.21 H new ATOM 0 HG3 GLN A 12 -9.194 6.568 7.131 1.00 63.21 H new ATOM 0 HE21 GLN A 12 -10.084 8.708 4.529 1.00 62.22 H new ATOM 0 HE22 GLN A 12 -10.292 10.147 5.533 1.00 62.22 H new ATOM 153 N LEU A 13 -7.430 9.628 3.448 1.00 5.02 N ATOM 154 CA LEU A 13 -7.294 11.048 3.416 1.00 43.13 C ATOM 155 C LEU A 13 -8.534 11.652 3.997 1.00 0.40 C ATOM 156 O LEU A 13 -9.606 11.620 3.384 1.00 41.43 O ATOM 157 CB LEU A 13 -7.095 11.560 1.985 1.00 32.23 C ATOM 158 CG LEU A 13 -7.114 13.082 1.820 1.00 11.14 C ATOM 159 CD1 LEU A 13 -5.992 13.753 2.608 1.00 30.52 C ATOM 160 CD2 LEU A 13 -7.067 13.472 0.357 1.00 51.51 C ATOM 0 H LEU A 13 -7.991 9.245 2.687 1.00 5.02 H new ATOM 0 HA LEU A 13 -6.415 11.333 3.995 1.00 43.13 H new ATOM 0 HB2 LEU A 13 -6.142 11.184 1.612 1.00 32.23 H new ATOM 0 HB3 LEU A 13 -7.875 11.134 1.354 1.00 32.23 H new ATOM 0 HG LEU A 13 -8.056 13.442 2.234 1.00 11.14 H new ATOM 0 HD11 LEU A 13 -6.041 14.832 2.464 1.00 30.52 H new ATOM 0 HD12 LEU A 13 -6.104 13.523 3.668 1.00 30.52 H new ATOM 0 HD13 LEU A 13 -5.029 13.383 2.256 1.00 30.52 H new ATOM 0 HD21 LEU A 13 -7.082 14.558 0.269 1.00 51.51 H new ATOM 0 HD22 LEU A 13 -6.154 13.084 -0.094 1.00 51.51 H new ATOM 0 HD23 LEU A 13 -7.932 13.055 -0.159 1.00 51.51 H new ATOM 172 N ASP A 14 -8.435 12.146 5.177 1.00 45.22 N ATOM 173 CA ASP A 14 -9.571 12.765 5.766 1.00 14.33 C ATOM 174 C ASP A 14 -9.534 14.225 5.459 1.00 73.45 C ATOM 175 O ASP A 14 -8.762 14.975 6.043 1.00 2.50 O ATOM 176 CB ASP A 14 -9.645 12.517 7.258 1.00 51.12 C ATOM 177 CG ASP A 14 -10.843 13.179 7.870 1.00 24.03 C ATOM 178 OD1 ASP A 14 -11.974 12.733 7.616 1.00 22.14 O ATOM 179 OD2 ASP A 14 -10.667 14.141 8.647 1.00 4.42 O ATOM 0 H ASP A 14 -7.591 12.136 5.750 1.00 45.22 H new ATOM 0 HA ASP A 14 -10.473 12.324 5.341 1.00 14.33 H new ATOM 0 HB2 ASP A 14 -9.685 11.444 7.447 1.00 51.12 H new ATOM 0 HB3 ASP A 14 -8.739 12.891 7.735 1.00 51.12 H new ATOM 184 N ASP A 15 -10.306 14.607 4.487 1.00 43.45 N ATOM 185 CA ASP A 15 -10.379 15.987 4.064 1.00 43.12 C ATOM 186 C ASP A 15 -11.616 16.628 4.664 1.00 12.42 C ATOM 187 O ASP A 15 -11.641 17.819 4.962 1.00 1.42 O ATOM 188 CB ASP A 15 -10.391 16.050 2.525 1.00 41.22 C ATOM 189 CG ASP A 15 -10.643 17.425 1.954 1.00 44.23 C ATOM 190 OD1 ASP A 15 -9.680 18.171 1.700 1.00 71.54 O ATOM 191 OD2 ASP A 15 -11.817 17.755 1.679 1.00 50.01 O ATOM 0 H ASP A 15 -10.907 13.975 3.959 1.00 43.45 H new ATOM 0 HA ASP A 15 -9.508 16.541 4.414 1.00 43.12 H new ATOM 0 HB2 ASP A 15 -9.434 15.686 2.152 1.00 41.22 H new ATOM 0 HB3 ASP A 15 -11.157 15.370 2.153 1.00 41.22 H new ATOM 196 N GLY A 16 -12.613 15.801 4.889 1.00 2.11 N ATOM 197 CA GLY A 16 -13.853 16.242 5.459 1.00 61.01 C ATOM 198 C GLY A 16 -14.756 15.071 5.792 1.00 5.11 C ATOM 199 O GLY A 16 -15.239 14.952 6.908 1.00 54.41 O ATOM 0 H GLY A 16 -12.580 14.803 4.679 1.00 2.11 H new ATOM 0 HA2 GLY A 16 -13.655 16.819 6.362 1.00 61.01 H new ATOM 0 HA3 GLY A 16 -14.360 16.907 4.760 1.00 61.01 H new ATOM 203 N SER A 17 -14.966 14.189 4.834 1.00 72.42 N ATOM 204 CA SER A 17 -15.846 13.043 5.055 1.00 74.35 C ATOM 205 C SER A 17 -15.077 11.715 5.011 1.00 33.11 C ATOM 206 O SER A 17 -15.653 10.640 5.221 1.00 53.02 O ATOM 207 CB SER A 17 -16.997 13.046 4.041 1.00 44.13 C ATOM 208 OG SER A 17 -17.739 14.267 4.104 1.00 64.52 O ATOM 0 H SER A 17 -14.548 14.236 3.905 1.00 72.42 H new ATOM 0 HA SER A 17 -16.266 13.137 6.056 1.00 74.35 H new ATOM 0 HB2 SER A 17 -16.599 12.911 3.035 1.00 44.13 H new ATOM 0 HB3 SER A 17 -17.660 12.204 4.238 1.00 44.13 H new ATOM 0 HG SER A 17 -18.465 14.243 3.446 1.00 64.52 H new ATOM 214 N GLY A 18 -13.792 11.797 4.742 1.00 11.54 N ATOM 215 CA GLY A 18 -12.960 10.627 4.712 1.00 5.55 C ATOM 216 C GLY A 18 -12.887 9.977 3.346 1.00 52.21 C ATOM 217 O GLY A 18 -13.825 9.321 2.910 1.00 0.44 O ATOM 0 H GLY A 18 -13.304 12.670 4.541 1.00 11.54 H new ATOM 0 HA2 GLY A 18 -11.954 10.897 5.032 1.00 5.55 H new ATOM 0 HA3 GLY A 18 -13.339 9.902 5.432 1.00 5.55 H new ATOM 221 N ARG A 19 -11.797 10.185 2.651 1.00 43.31 N ATOM 222 CA ARG A 19 -11.564 9.509 1.393 1.00 22.12 C ATOM 223 C ARG A 19 -10.626 8.369 1.629 1.00 73.14 C ATOM 224 O ARG A 19 -9.892 8.359 2.633 1.00 43.32 O ATOM 225 CB ARG A 19 -10.957 10.424 0.338 1.00 42.53 C ATOM 226 CG ARG A 19 -11.836 11.575 -0.107 1.00 73.42 C ATOM 227 CD ARG A 19 -13.179 11.096 -0.642 1.00 1.12 C ATOM 228 NE ARG A 19 -13.058 10.193 -1.786 1.00 0.20 N ATOM 229 CZ ARG A 19 -14.098 9.662 -2.446 1.00 21.30 C ATOM 230 NH1 ARG A 19 -15.344 9.821 -1.987 1.00 65.41 N ATOM 231 NH2 ARG A 19 -13.888 8.931 -3.531 1.00 11.21 N ATOM 0 H ARG A 19 -11.051 10.820 2.935 1.00 43.31 H new ATOM 0 HA ARG A 19 -12.530 9.168 1.020 1.00 22.12 H new ATOM 0 HB2 ARG A 19 -10.024 10.831 0.728 1.00 42.53 H new ATOM 0 HB3 ARG A 19 -10.703 9.824 -0.536 1.00 42.53 H new ATOM 0 HG2 ARG A 19 -12.001 12.251 0.732 1.00 73.42 H new ATOM 0 HG3 ARG A 19 -11.321 12.146 -0.880 1.00 73.42 H new ATOM 0 HD2 ARG A 19 -13.720 10.589 0.157 1.00 1.12 H new ATOM 0 HD3 ARG A 19 -13.776 11.961 -0.932 1.00 1.12 H new ATOM 0 HE ARG A 19 -12.119 9.951 -2.103 1.00 0.20 H new ATOM 0 HH11 ARG A 19 -15.508 10.349 -1.130 1.00 65.41 H new ATOM 0 HH12 ARG A 19 -16.130 9.414 -2.494 1.00 65.41 H new ATOM 0 HH21 ARG A 19 -12.937 8.773 -3.863 1.00 11.21 H new ATOM 0 HH22 ARG A 19 -14.678 8.526 -4.034 1.00 11.21 H new ATOM 245 N THR A 20 -10.646 7.415 0.745 1.00 15.12 N ATOM 246 CA THR A 20 -9.793 6.269 0.852 1.00 14.41 C ATOM 247 C THR A 20 -9.242 5.892 -0.522 1.00 51.42 C ATOM 248 O THR A 20 -9.938 6.026 -1.540 1.00 34.34 O ATOM 249 CB THR A 20 -10.557 5.064 1.466 1.00 20.53 C ATOM 250 OG1 THR A 20 -11.765 4.816 0.731 1.00 75.12 O ATOM 251 CG2 THR A 20 -10.902 5.312 2.927 1.00 15.42 C ATOM 0 H THR A 20 -11.256 7.410 -0.072 1.00 15.12 H new ATOM 0 HA THR A 20 -8.964 6.523 1.512 1.00 14.41 H new ATOM 0 HB THR A 20 -9.903 4.194 1.406 1.00 20.53 H new ATOM 0 HG1 THR A 20 -12.237 4.053 1.126 1.00 75.12 H new ATOM 0 HG21 THR A 20 -11.436 4.450 3.326 1.00 15.42 H new ATOM 0 HG22 THR A 20 -9.985 5.466 3.496 1.00 15.42 H new ATOM 0 HG23 THR A 20 -11.532 6.198 3.007 1.00 15.42 H new ATOM 259 N TYR A 21 -8.005 5.500 -0.557 1.00 34.13 N ATOM 260 CA TYR A 21 -7.371 5.025 -1.763 1.00 64.12 C ATOM 261 C TYR A 21 -6.562 3.784 -1.454 1.00 33.11 C ATOM 262 O TYR A 21 -5.606 3.833 -0.666 1.00 73.31 O ATOM 263 CB TYR A 21 -6.494 6.132 -2.400 1.00 30.53 C ATOM 264 CG TYR A 21 -5.502 5.645 -3.452 1.00 31.33 C ATOM 265 CD1 TYR A 21 -5.902 5.324 -4.741 1.00 50.22 C ATOM 266 CD2 TYR A 21 -4.155 5.508 -3.133 1.00 14.41 C ATOM 267 CE1 TYR A 21 -4.983 4.876 -5.677 1.00 52.05 C ATOM 268 CE2 TYR A 21 -3.239 5.067 -4.056 1.00 45.12 C ATOM 269 CZ TYR A 21 -3.654 4.751 -5.323 1.00 45.11 C ATOM 270 OH TYR A 21 -2.731 4.305 -6.240 1.00 2.14 O ATOM 0 H TYR A 21 -7.393 5.499 0.259 1.00 34.13 H new ATOM 0 HA TYR A 21 -8.138 4.766 -2.493 1.00 64.12 H new ATOM 0 HB2 TYR A 21 -7.148 6.875 -2.856 1.00 30.53 H new ATOM 0 HB3 TYR A 21 -5.941 6.637 -1.608 1.00 30.53 H new ATOM 0 HD1 TYR A 21 -6.941 5.424 -5.018 1.00 50.22 H new ATOM 0 HD2 TYR A 21 -3.822 5.754 -2.136 1.00 14.41 H new ATOM 0 HE1 TYR A 21 -5.304 4.626 -6.677 1.00 52.05 H new ATOM 0 HE2 TYR A 21 -2.198 4.970 -3.785 1.00 45.12 H new ATOM 0 HH TYR A 21 -1.972 3.901 -5.770 1.00 2.14 H new ATOM 280 N GLN A 22 -6.977 2.675 -2.011 1.00 31.00 N ATOM 281 CA GLN A 22 -6.268 1.439 -1.840 1.00 43.14 C ATOM 282 C GLN A 22 -5.032 1.454 -2.716 1.00 2.24 C ATOM 283 O GLN A 22 -5.088 1.875 -3.882 1.00 53.32 O ATOM 284 CB GLN A 22 -7.158 0.241 -2.173 1.00 61.32 C ATOM 285 CG GLN A 22 -6.510 -1.103 -1.871 1.00 14.32 C ATOM 286 CD GLN A 22 -7.416 -2.275 -2.162 1.00 74.41 C ATOM 287 OE1 GLN A 22 -8.173 -2.679 -1.186 1.00 61.55 O flip ATOM 288 NE2 GLN A 22 -7.426 -2.815 -3.272 1.00 53.44 N flip ATOM 0 H GLN A 22 -7.812 2.606 -2.593 1.00 31.00 H new ATOM 0 HA GLN A 22 -5.971 1.339 -0.796 1.00 43.14 H new ATOM 0 HB2 GLN A 22 -8.087 0.322 -1.609 1.00 61.32 H new ATOM 0 HB3 GLN A 22 -7.422 0.278 -3.230 1.00 61.32 H new ATOM 0 HG2 GLN A 22 -5.598 -1.201 -2.460 1.00 14.32 H new ATOM 0 HG3 GLN A 22 -6.216 -1.130 -0.822 1.00 14.32 H new ATOM 0 HE21 GLN A 22 -6.817 -2.469 -4.013 1.00 53.44 H new ATOM 0 HE22 GLN A 22 -8.044 -3.607 -3.448 1.00 53.44 H new ATOM 297 N LEU A 23 -3.930 1.039 -2.154 1.00 43.33 N ATOM 298 CA LEU A 23 -2.680 1.009 -2.857 1.00 70.23 C ATOM 299 C LEU A 23 -2.714 -0.048 -3.925 1.00 52.13 C ATOM 300 O LEU A 23 -3.225 -1.164 -3.699 1.00 23.43 O ATOM 301 CB LEU A 23 -1.521 0.714 -1.909 1.00 14.34 C ATOM 302 CG LEU A 23 -1.253 1.724 -0.799 1.00 60.02 C ATOM 303 CD1 LEU A 23 -0.065 1.274 0.006 1.00 24.34 C ATOM 304 CD2 LEU A 23 -0.995 3.110 -1.366 1.00 30.13 C ATOM 0 H LEU A 23 -3.875 0.711 -1.190 1.00 43.33 H new ATOM 0 HA LEU A 23 -2.529 1.991 -3.306 1.00 70.23 H new ATOM 0 HB2 LEU A 23 -1.702 -0.256 -1.446 1.00 14.34 H new ATOM 0 HB3 LEU A 23 -0.613 0.619 -2.505 1.00 14.34 H new ATOM 0 HG LEU A 23 -2.136 1.780 -0.162 1.00 60.02 H new ATOM 0 HD11 LEU A 23 0.130 1.994 0.801 1.00 24.34 H new ATOM 0 HD12 LEU A 23 -0.271 0.297 0.444 1.00 24.34 H new ATOM 0 HD13 LEU A 23 0.808 1.204 -0.642 1.00 24.34 H new ATOM 0 HD21 LEU A 23 -0.807 3.808 -0.550 1.00 30.13 H new ATOM 0 HD22 LEU A 23 -0.126 3.078 -2.023 1.00 30.13 H new ATOM 0 HD23 LEU A 23 -1.866 3.440 -1.932 1.00 30.13 H new ATOM 316 N ARG A 24 -2.206 0.291 -5.081 1.00 45.25 N ATOM 317 CA ARG A 24 -2.102 -0.655 -6.153 1.00 32.43 C ATOM 318 C ARG A 24 -0.950 -1.577 -5.828 1.00 63.34 C ATOM 319 O ARG A 24 -0.070 -1.215 -5.022 1.00 64.41 O ATOM 320 CB ARG A 24 -1.779 0.041 -7.495 1.00 70.52 C ATOM 321 CG ARG A 24 -0.387 0.675 -7.524 1.00 20.14 C ATOM 322 CD ARG A 24 0.096 0.987 -8.924 1.00 74.13 C ATOM 323 NE ARG A 24 -0.612 2.078 -9.586 1.00 31.33 N ATOM 324 CZ ARG A 24 -0.270 2.554 -10.789 1.00 62.34 C ATOM 325 NH1 ARG A 24 0.710 1.976 -11.484 1.00 34.03 N ATOM 326 NH2 ARG A 24 -0.907 3.592 -11.292 1.00 1.51 N ATOM 0 H ARG A 24 -1.856 1.223 -5.302 1.00 45.25 H new ATOM 0 HA ARG A 24 -3.051 -1.183 -6.253 1.00 32.43 H new ATOM 0 HB2 ARG A 24 -1.857 -0.687 -8.303 1.00 70.52 H new ATOM 0 HB3 ARG A 24 -2.526 0.811 -7.687 1.00 70.52 H new ATOM 0 HG2 ARG A 24 -0.401 1.594 -6.938 1.00 20.14 H new ATOM 0 HG3 ARG A 24 0.322 0.001 -7.043 1.00 20.14 H new ATOM 0 HD2 ARG A 24 1.157 1.234 -8.881 1.00 74.13 H new ATOM 0 HD3 ARG A 24 0.003 0.089 -9.534 1.00 74.13 H new ATOM 0 HE ARG A 24 -1.408 2.499 -9.107 1.00 31.33 H new ATOM 0 HH11 ARG A 24 1.201 1.169 -11.099 1.00 34.03 H new ATOM 0 HH12 ARG A 24 0.969 2.341 -12.401 1.00 34.03 H new ATOM 0 HH21 ARG A 24 -1.661 4.033 -10.764 1.00 1.51 H new ATOM 0 HH22 ARG A 24 -0.646 3.955 -12.209 1.00 1.51 H new ATOM 340 N GLU A 25 -0.941 -2.739 -6.412 1.00 2.04 N ATOM 341 CA GLU A 25 0.206 -3.587 -6.302 1.00 12.24 C ATOM 342 C GLU A 25 1.293 -2.992 -7.180 1.00 52.11 C ATOM 343 O GLU A 25 1.031 -2.572 -8.323 1.00 60.35 O ATOM 344 CB GLU A 25 -0.132 -5.030 -6.675 1.00 72.31 C ATOM 345 CG GLU A 25 -0.823 -5.191 -8.013 1.00 14.21 C ATOM 346 CD GLU A 25 -1.189 -6.612 -8.282 1.00 33.42 C ATOM 347 OE1 GLU A 25 -2.133 -7.120 -7.644 1.00 42.41 O ATOM 348 OE2 GLU A 25 -0.568 -7.244 -9.153 1.00 23.10 O ATOM 0 H GLU A 25 -1.710 -3.118 -6.965 1.00 2.04 H new ATOM 0 HA GLU A 25 0.558 -3.633 -5.271 1.00 12.24 H new ATOM 0 HB2 GLU A 25 0.788 -5.614 -6.684 1.00 72.31 H new ATOM 0 HB3 GLU A 25 -0.770 -5.452 -5.898 1.00 72.31 H new ATOM 0 HG2 GLU A 25 -1.722 -4.574 -8.034 1.00 14.21 H new ATOM 0 HG3 GLU A 25 -0.169 -4.828 -8.806 1.00 14.21 H new ATOM 355 N GLY A 26 2.459 -2.891 -6.657 1.00 54.01 N ATOM 356 CA GLY A 26 3.507 -2.213 -7.343 1.00 41.12 C ATOM 357 C GLY A 26 3.774 -0.930 -6.614 1.00 40.05 C ATOM 358 O GLY A 26 3.527 -0.849 -5.418 1.00 25.53 O ATOM 0 H GLY A 26 2.718 -3.272 -5.747 1.00 54.01 H new ATOM 0 HA2 GLY A 26 4.405 -2.829 -7.374 1.00 41.12 H new ATOM 0 HA3 GLY A 26 3.222 -2.014 -8.376 1.00 41.12 H new ATOM 362 N SER A 27 4.206 0.082 -7.282 1.00 72.34 N ATOM 363 CA SER A 27 4.486 1.290 -6.583 1.00 44.22 C ATOM 364 C SER A 27 3.415 2.354 -6.802 1.00 42.31 C ATOM 365 O SER A 27 2.864 2.507 -7.897 1.00 74.25 O ATOM 366 CB SER A 27 5.880 1.805 -6.904 1.00 11.32 C ATOM 367 OG SER A 27 6.042 2.013 -8.314 1.00 32.35 O ATOM 0 H SER A 27 4.371 0.102 -8.288 1.00 72.34 H new ATOM 0 HA SER A 27 4.463 1.054 -5.519 1.00 44.22 H new ATOM 0 HB2 SER A 27 6.057 2.740 -6.373 1.00 11.32 H new ATOM 0 HB3 SER A 27 6.625 1.092 -6.551 1.00 11.32 H new ATOM 0 HG SER A 27 6.946 2.346 -8.494 1.00 32.35 H new ATOM 373 N ASN A 28 3.104 3.035 -5.749 1.00 43.41 N ATOM 374 CA ASN A 28 2.168 4.125 -5.748 1.00 42.40 C ATOM 375 C ASN A 28 2.984 5.377 -5.597 1.00 60.34 C ATOM 376 O ASN A 28 3.592 5.599 -4.556 1.00 4.03 O ATOM 377 CB ASN A 28 1.193 3.973 -4.564 1.00 24.33 C ATOM 378 CG ASN A 28 0.349 2.707 -4.648 1.00 43.20 C ATOM 379 OD1 ASN A 28 -0.771 2.726 -5.163 1.00 3.11 O ATOM 380 ND2 ASN A 28 0.883 1.594 -4.164 1.00 4.33 N ATOM 0 H ASN A 28 3.505 2.846 -4.830 1.00 43.41 H new ATOM 0 HA ASN A 28 1.576 4.150 -6.663 1.00 42.40 H new ATOM 0 HB2 ASN A 28 1.759 3.965 -3.633 1.00 24.33 H new ATOM 0 HB3 ASN A 28 0.534 4.841 -4.529 1.00 24.33 H new ATOM 0 HD21 ASN A 28 0.364 0.717 -4.211 1.00 4.33 H new ATOM 0 HD22 ASN A 28 1.813 1.615 -3.745 1.00 4.33 H new ATOM 387 N ILE A 29 3.054 6.157 -6.636 1.00 5.10 N ATOM 388 CA ILE A 29 3.919 7.323 -6.646 1.00 12.42 C ATOM 389 C ILE A 29 3.130 8.588 -6.378 1.00 40.32 C ATOM 390 O ILE A 29 2.183 8.909 -7.112 1.00 0.52 O ATOM 391 CB ILE A 29 4.648 7.457 -8.005 1.00 21.34 C ATOM 392 CG1 ILE A 29 5.365 6.148 -8.345 1.00 70.35 C ATOM 393 CG2 ILE A 29 5.651 8.615 -7.961 1.00 61.45 C ATOM 394 CD1 ILE A 29 5.966 6.121 -9.726 1.00 41.35 C ATOM 0 H ILE A 29 2.524 6.014 -7.496 1.00 5.10 H new ATOM 0 HA ILE A 29 4.656 7.188 -5.854 1.00 12.42 H new ATOM 0 HB ILE A 29 3.910 7.668 -8.779 1.00 21.34 H new ATOM 0 HG12 ILE A 29 6.154 5.977 -7.613 1.00 70.35 H new ATOM 0 HG13 ILE A 29 4.658 5.323 -8.251 1.00 70.35 H new ATOM 0 HG21 ILE A 29 6.155 8.696 -8.924 1.00 61.45 H new ATOM 0 HG22 ILE A 29 5.124 9.545 -7.748 1.00 61.45 H new ATOM 0 HG23 ILE A 29 6.388 8.428 -7.180 1.00 61.45 H new ATOM 0 HD11 ILE A 29 6.456 5.161 -9.891 1.00 41.35 H new ATOM 0 HD12 ILE A 29 5.179 6.259 -10.468 1.00 41.35 H new ATOM 0 HD13 ILE A 29 6.698 6.923 -9.820 1.00 41.35 H new ATOM 406 N ILE A 30 3.521 9.289 -5.353 1.00 75.11 N ATOM 407 CA ILE A 30 2.914 10.530 -4.973 1.00 62.35 C ATOM 408 C ILE A 30 3.892 11.664 -5.268 1.00 64.44 C ATOM 409 O ILE A 30 5.069 11.587 -4.914 1.00 21.40 O ATOM 410 CB ILE A 30 2.527 10.534 -3.459 1.00 25.32 C ATOM 411 CG1 ILE A 30 1.491 9.430 -3.157 1.00 51.04 C ATOM 412 CG2 ILE A 30 2.033 11.907 -3.014 1.00 0.51 C ATOM 413 CD1 ILE A 30 1.106 9.312 -1.693 1.00 62.23 C ATOM 0 H ILE A 30 4.289 9.006 -4.744 1.00 75.11 H new ATOM 0 HA ILE A 30 1.997 10.665 -5.546 1.00 62.35 H new ATOM 0 HB ILE A 30 3.425 10.315 -2.881 1.00 25.32 H new ATOM 0 HG12 ILE A 30 0.592 9.623 -3.742 1.00 51.04 H new ATOM 0 HG13 ILE A 30 1.890 8.473 -3.493 1.00 51.04 H new ATOM 0 HG21 ILE A 30 1.772 11.875 -1.956 1.00 0.51 H new ATOM 0 HG22 ILE A 30 2.819 12.645 -3.172 1.00 0.51 H new ATOM 0 HG23 ILE A 30 1.154 12.184 -3.596 1.00 0.51 H new ATOM 0 HD11 ILE A 30 0.375 8.513 -1.572 1.00 62.23 H new ATOM 0 HD12 ILE A 30 1.993 9.085 -1.101 1.00 62.23 H new ATOM 0 HD13 ILE A 30 0.674 10.253 -1.353 1.00 62.23 H new ATOM 425 N GLY A 31 3.428 12.659 -5.955 1.00 2.42 N ATOM 426 CA GLY A 31 4.229 13.805 -6.264 1.00 52.04 C ATOM 427 C GLY A 31 3.600 14.572 -7.365 1.00 63.13 C ATOM 428 O GLY A 31 2.559 14.178 -7.848 1.00 52.32 O ATOM 0 H GLY A 31 2.477 12.701 -6.321 1.00 2.42 H new ATOM 0 HA2 GLY A 31 4.333 14.436 -5.382 1.00 52.04 H new ATOM 0 HA3 GLY A 31 5.232 13.492 -6.553 1.00 52.04 H new ATOM 432 N ARG A 32 4.186 15.653 -7.765 1.00 21.43 N ATOM 433 CA ARG A 32 3.619 16.413 -8.843 1.00 4.22 C ATOM 434 C ARG A 32 4.541 16.306 -10.009 1.00 64.10 C ATOM 435 O ARG A 32 5.611 16.898 -10.020 1.00 61.24 O ATOM 436 CB ARG A 32 3.443 17.884 -8.457 1.00 11.34 C ATOM 437 CG ARG A 32 2.591 18.105 -7.226 1.00 73.32 C ATOM 438 CD ARG A 32 2.417 19.586 -6.931 1.00 21.04 C ATOM 439 NE ARG A 32 1.722 20.312 -8.009 1.00 54.22 N ATOM 440 CZ ARG A 32 1.353 21.604 -7.940 1.00 72.11 C ATOM 441 NH1 ARG A 32 1.545 22.297 -6.826 1.00 10.34 N ATOM 442 NH2 ARG A 32 0.763 22.183 -8.975 1.00 13.22 N ATOM 0 H ARG A 32 5.047 16.031 -7.370 1.00 21.43 H new ATOM 0 HA ARG A 32 2.632 16.018 -9.085 1.00 4.22 H new ATOM 0 HB2 ARG A 32 4.426 18.324 -8.288 1.00 11.34 H new ATOM 0 HB3 ARG A 32 2.995 18.417 -9.296 1.00 11.34 H new ATOM 0 HG2 ARG A 32 1.614 17.644 -7.370 1.00 73.32 H new ATOM 0 HG3 ARG A 32 3.052 17.613 -6.369 1.00 73.32 H new ATOM 0 HD2 ARG A 32 1.857 19.702 -6.003 1.00 21.04 H new ATOM 0 HD3 ARG A 32 3.397 20.036 -6.771 1.00 21.04 H new ATOM 0 HE ARG A 32 1.506 19.801 -8.865 1.00 54.22 H new ATOM 0 HH11 ARG A 32 1.975 21.851 -6.015 1.00 10.34 H new ATOM 0 HH12 ARG A 32 1.263 23.276 -6.780 1.00 10.34 H new ATOM 0 HH21 ARG A 32 0.588 21.649 -9.826 1.00 13.22 H new ATOM 0 HH22 ARG A 32 0.484 23.163 -8.921 1.00 13.22 H new ATOM 456 N GLY A 33 4.152 15.538 -10.962 1.00 14.25 N ATOM 457 CA GLY A 33 4.930 15.344 -12.121 1.00 55.14 C ATOM 458 C GLY A 33 4.267 14.349 -12.993 1.00 4.11 C ATOM 459 O GLY A 33 3.374 13.632 -12.533 1.00 34.40 O ATOM 0 H GLY A 33 3.272 15.022 -10.954 1.00 14.25 H new ATOM 0 HA2 GLY A 33 5.052 16.287 -12.653 1.00 55.14 H new ATOM 0 HA3 GLY A 33 5.928 15.000 -11.850 1.00 55.14 H new ATOM 463 N GLN A 34 4.682 14.278 -14.225 1.00 21.24 N ATOM 464 CA GLN A 34 4.107 13.344 -15.179 1.00 21.02 C ATOM 465 C GLN A 34 4.404 11.896 -14.786 1.00 23.34 C ATOM 466 O GLN A 34 3.642 10.991 -15.112 1.00 74.44 O ATOM 467 CB GLN A 34 4.583 13.621 -16.627 1.00 32.12 C ATOM 468 CG GLN A 34 6.086 13.431 -16.901 1.00 11.30 C ATOM 469 CD GLN A 34 6.963 14.462 -16.230 1.00 52.22 C ATOM 470 OE1 GLN A 34 7.418 14.281 -15.088 1.00 63.31 O ATOM 471 NE2 GLN A 34 7.191 15.539 -16.904 1.00 15.42 N ATOM 0 H GLN A 34 5.427 14.861 -14.607 1.00 21.24 H new ATOM 0 HA GLN A 34 3.028 13.495 -15.153 1.00 21.02 H new ATOM 0 HB2 GLN A 34 4.028 12.968 -17.300 1.00 32.12 H new ATOM 0 HB3 GLN A 34 4.316 14.646 -16.885 1.00 32.12 H new ATOM 0 HG2 GLN A 34 6.385 12.439 -16.564 1.00 11.30 H new ATOM 0 HG3 GLN A 34 6.257 13.467 -17.977 1.00 11.30 H new ATOM 0 HE21 GLN A 34 6.798 15.648 -17.839 1.00 15.42 H new ATOM 0 HE22 GLN A 34 7.764 16.281 -16.502 1.00 15.42 H new ATOM 480 N ASP A 35 5.487 11.702 -14.052 1.00 40.52 N ATOM 481 CA ASP A 35 5.915 10.370 -13.617 1.00 45.41 C ATOM 482 C ASP A 35 5.024 9.869 -12.472 1.00 44.34 C ATOM 483 O ASP A 35 4.773 8.669 -12.338 1.00 45.30 O ATOM 484 CB ASP A 35 7.382 10.417 -13.154 1.00 1.53 C ATOM 485 CG ASP A 35 7.998 9.036 -12.935 1.00 12.04 C ATOM 486 OD1 ASP A 35 7.798 8.426 -11.878 1.00 1.53 O ATOM 487 OD2 ASP A 35 8.716 8.548 -13.839 1.00 43.33 O ATOM 0 H ASP A 35 6.097 12.457 -13.738 1.00 40.52 H new ATOM 0 HA ASP A 35 5.825 9.682 -14.458 1.00 45.41 H new ATOM 0 HB2 ASP A 35 7.972 10.955 -13.896 1.00 1.53 H new ATOM 0 HB3 ASP A 35 7.443 10.985 -12.225 1.00 1.53 H new ATOM 492 N ALA A 36 4.499 10.806 -11.699 1.00 10.40 N ATOM 493 CA ALA A 36 3.711 10.498 -10.517 1.00 73.21 C ATOM 494 C ALA A 36 2.310 10.025 -10.863 1.00 41.14 C ATOM 495 O ALA A 36 1.750 10.387 -11.901 1.00 22.25 O ATOM 496 CB ALA A 36 3.638 11.697 -9.605 1.00 62.13 C ATOM 0 H ALA A 36 4.608 11.805 -11.874 1.00 10.40 H new ATOM 0 HA ALA A 36 4.216 9.680 -10.004 1.00 73.21 H new ATOM 0 HB1 ALA A 36 3.044 11.449 -8.725 1.00 62.13 H new ATOM 0 HB2 ALA A 36 4.644 11.981 -9.296 1.00 62.13 H new ATOM 0 HB3 ALA A 36 3.173 12.529 -10.134 1.00 62.13 H new ATOM 502 N GLN A 37 1.746 9.240 -9.974 1.00 23.42 N ATOM 503 CA GLN A 37 0.436 8.680 -10.155 1.00 5.41 C ATOM 504 C GLN A 37 -0.593 9.531 -9.413 1.00 73.34 C ATOM 505 O GLN A 37 -1.670 9.840 -9.932 1.00 34.33 O ATOM 506 CB GLN A 37 0.424 7.246 -9.619 1.00 41.22 C ATOM 507 CG GLN A 37 1.479 6.339 -10.253 1.00 42.31 C ATOM 508 CD GLN A 37 1.336 6.236 -11.759 1.00 30.14 C ATOM 509 OE1 GLN A 37 0.241 6.324 -12.300 1.00 50.22 O ATOM 510 NE2 GLN A 37 2.434 6.072 -12.442 1.00 54.44 N ATOM 0 H GLN A 37 2.193 8.972 -9.097 1.00 23.42 H new ATOM 0 HA GLN A 37 0.182 8.669 -11.215 1.00 5.41 H new ATOM 0 HB2 GLN A 37 0.581 7.270 -8.541 1.00 41.22 H new ATOM 0 HB3 GLN A 37 -0.562 6.813 -9.788 1.00 41.22 H new ATOM 0 HG2 GLN A 37 2.471 6.720 -10.012 1.00 42.31 H new ATOM 0 HG3 GLN A 37 1.405 5.343 -9.816 1.00 42.31 H new ATOM 0 HE21 GLN A 37 3.330 6.003 -11.959 1.00 54.44 H new ATOM 0 HE22 GLN A 37 2.398 6.013 -13.460 1.00 54.44 H new ATOM 519 N PHE A 38 -0.248 9.910 -8.216 1.00 22.11 N ATOM 520 CA PHE A 38 -1.083 10.731 -7.382 1.00 44.35 C ATOM 521 C PHE A 38 -0.347 12.028 -7.121 1.00 15.44 C ATOM 522 O PHE A 38 0.812 12.008 -6.721 1.00 1.03 O ATOM 523 CB PHE A 38 -1.377 9.984 -6.062 1.00 44.32 C ATOM 524 CG PHE A 38 -2.177 10.756 -5.038 1.00 33.14 C ATOM 525 CD1 PHE A 38 -3.561 10.781 -5.081 1.00 31.43 C ATOM 526 CD2 PHE A 38 -1.536 11.438 -4.019 1.00 70.01 C ATOM 527 CE1 PHE A 38 -4.283 11.476 -4.128 1.00 72.41 C ATOM 528 CE2 PHE A 38 -2.238 12.131 -3.072 1.00 71.15 C ATOM 529 CZ PHE A 38 -3.619 12.154 -3.118 1.00 30.44 C ATOM 0 H PHE A 38 0.639 9.653 -7.782 1.00 22.11 H new ATOM 0 HA PHE A 38 -2.035 10.946 -7.867 1.00 44.35 H new ATOM 0 HB2 PHE A 38 -1.913 9.065 -6.298 1.00 44.32 H new ATOM 0 HB3 PHE A 38 -0.428 9.693 -5.611 1.00 44.32 H new ATOM 0 HD1 PHE A 38 -4.081 10.253 -5.866 1.00 31.43 H new ATOM 0 HD2 PHE A 38 -0.457 11.423 -3.970 1.00 70.01 H new ATOM 0 HE1 PHE A 38 -5.362 11.490 -4.171 1.00 72.41 H new ATOM 0 HE2 PHE A 38 -1.714 12.660 -2.289 1.00 71.15 H new ATOM 0 HZ PHE A 38 -4.178 12.698 -2.371 1.00 30.44 H new ATOM 539 N ARG A 39 -0.986 13.139 -7.365 1.00 12.13 N ATOM 540 CA ARG A 39 -0.359 14.404 -7.177 1.00 53.51 C ATOM 541 C ARG A 39 -0.926 15.155 -6.007 1.00 13.33 C ATOM 542 O ARG A 39 -2.131 15.170 -5.793 1.00 72.51 O ATOM 543 CB ARG A 39 -0.293 15.274 -8.461 1.00 54.10 C ATOM 544 CG ARG A 39 -1.562 15.434 -9.313 1.00 62.24 C ATOM 545 CD ARG A 39 -1.857 14.174 -10.119 1.00 23.51 C ATOM 546 NE ARG A 39 -2.868 14.390 -11.156 1.00 33.13 N ATOM 547 CZ ARG A 39 -3.776 13.493 -11.553 1.00 42.14 C ATOM 548 NH1 ARG A 39 -4.006 12.404 -10.832 1.00 52.43 N ATOM 549 NH2 ARG A 39 -4.489 13.717 -12.647 1.00 71.34 N ATOM 0 H ARG A 39 -1.949 13.186 -7.697 1.00 12.13 H new ATOM 0 HA ARG A 39 0.679 14.173 -6.936 1.00 53.51 H new ATOM 0 HB2 ARG A 39 0.035 16.271 -8.168 1.00 54.10 H new ATOM 0 HB3 ARG A 39 0.484 14.858 -9.102 1.00 54.10 H new ATOM 0 HG2 ARG A 39 -2.410 15.660 -8.666 1.00 62.24 H new ATOM 0 HG3 ARG A 39 -1.443 16.280 -9.990 1.00 62.24 H new ATOM 0 HD2 ARG A 39 -0.936 13.821 -10.583 1.00 23.51 H new ATOM 0 HD3 ARG A 39 -2.196 13.388 -9.445 1.00 23.51 H new ATOM 0 HE ARG A 39 -2.880 15.301 -11.614 1.00 33.13 H new ATOM 0 HH11 ARG A 39 -3.488 12.246 -9.967 1.00 52.43 H new ATOM 0 HH12 ARG A 39 -4.701 11.724 -11.142 1.00 52.43 H new ATOM 0 HH21 ARG A 39 -4.344 14.572 -13.184 1.00 71.34 H new ATOM 0 HH22 ARG A 39 -5.183 13.034 -12.952 1.00 71.34 H new ATOM 563 N LEU A 40 -0.043 15.755 -5.241 1.00 5.21 N ATOM 564 CA LEU A 40 -0.424 16.521 -4.076 1.00 64.35 C ATOM 565 C LEU A 40 -0.890 17.900 -4.472 1.00 65.44 C ATOM 566 O LEU A 40 -0.320 18.511 -5.371 1.00 22.31 O ATOM 567 CB LEU A 40 0.736 16.643 -3.095 1.00 74.34 C ATOM 568 CG LEU A 40 1.167 15.371 -2.387 1.00 53.45 C ATOM 569 CD1 LEU A 40 2.360 15.664 -1.510 1.00 25.32 C ATOM 570 CD2 LEU A 40 0.024 14.812 -1.545 1.00 24.24 C ATOM 0 H LEU A 40 0.963 15.725 -5.409 1.00 5.21 H new ATOM 0 HA LEU A 40 -1.243 15.990 -3.590 1.00 64.35 H new ATOM 0 HB2 LEU A 40 1.596 17.041 -3.633 1.00 74.34 H new ATOM 0 HB3 LEU A 40 0.465 17.379 -2.338 1.00 74.34 H new ATOM 0 HG LEU A 40 1.439 14.625 -3.134 1.00 53.45 H new ATOM 0 HD11 LEU A 40 2.670 14.751 -1.001 1.00 25.32 H new ATOM 0 HD12 LEU A 40 3.181 16.034 -2.124 1.00 25.32 H new ATOM 0 HD13 LEU A 40 2.091 16.418 -0.770 1.00 25.32 H new ATOM 0 HD21 LEU A 40 0.352 13.901 -1.045 1.00 24.24 H new ATOM 0 HD22 LEU A 40 -0.272 15.549 -0.798 1.00 24.24 H new ATOM 0 HD23 LEU A 40 -0.826 14.587 -2.189 1.00 24.24 H new ATOM 582 N PRO A 41 -1.901 18.421 -3.790 1.00 31.35 N ATOM 583 CA PRO A 41 -2.462 19.729 -4.087 1.00 13.13 C ATOM 584 C PRO A 41 -1.713 20.866 -3.361 1.00 62.11 C ATOM 585 O PRO A 41 -2.322 21.851 -2.949 1.00 25.24 O ATOM 586 CB PRO A 41 -3.883 19.600 -3.544 1.00 54.23 C ATOM 587 CG PRO A 41 -3.765 18.684 -2.371 1.00 71.20 C ATOM 588 CD PRO A 41 -2.608 17.764 -2.660 1.00 13.54 C ATOM 0 HA PRO A 41 -2.401 19.983 -5.145 1.00 13.13 H new ATOM 0 HB2 PRO A 41 -4.283 20.570 -3.249 1.00 54.23 H new ATOM 0 HB3 PRO A 41 -4.558 19.193 -4.297 1.00 54.23 H new ATOM 0 HG2 PRO A 41 -3.592 19.248 -1.454 1.00 71.20 H new ATOM 0 HG3 PRO A 41 -4.685 18.117 -2.228 1.00 71.20 H new ATOM 0 HD2 PRO A 41 -1.958 17.655 -1.792 1.00 13.54 H new ATOM 0 HD3 PRO A 41 -2.950 16.765 -2.930 1.00 13.54 H new ATOM 596 N ASP A 42 -0.413 20.736 -3.217 1.00 34.13 N ATOM 597 CA ASP A 42 0.378 21.775 -2.568 1.00 31.41 C ATOM 598 C ASP A 42 1.698 21.933 -3.321 1.00 10.13 C ATOM 599 O ASP A 42 1.924 21.246 -4.317 1.00 21.21 O ATOM 600 CB ASP A 42 0.636 21.446 -1.093 1.00 53.24 C ATOM 601 CG ASP A 42 0.791 22.701 -0.246 1.00 1.31 C ATOM 602 OD1 ASP A 42 1.805 23.432 -0.383 1.00 64.04 O ATOM 603 OD2 ASP A 42 -0.132 22.999 0.554 1.00 40.21 O ATOM 0 H ASP A 42 0.123 19.929 -3.536 1.00 34.13 H new ATOM 0 HA ASP A 42 -0.179 22.712 -2.596 1.00 31.41 H new ATOM 0 HB2 ASP A 42 -0.188 20.847 -0.706 1.00 53.24 H new ATOM 0 HB3 ASP A 42 1.537 20.839 -1.010 1.00 53.24 H new ATOM 608 N THR A 43 2.559 22.787 -2.853 1.00 73.05 N ATOM 609 CA THR A 43 3.804 23.065 -3.503 1.00 12.24 C ATOM 610 C THR A 43 4.970 22.576 -2.600 1.00 0.34 C ATOM 611 O THR A 43 4.784 22.387 -1.387 1.00 21.15 O ATOM 612 CB THR A 43 3.906 24.586 -3.753 1.00 61.13 C ATOM 613 OG1 THR A 43 2.650 25.063 -4.277 1.00 33.25 O ATOM 614 CG2 THR A 43 4.985 24.897 -4.758 1.00 21.25 C ATOM 0 H THR A 43 2.413 23.318 -1.995 1.00 73.05 H new ATOM 0 HA THR A 43 3.862 22.544 -4.459 1.00 12.24 H new ATOM 0 HB THR A 43 4.146 25.073 -2.808 1.00 61.13 H new ATOM 0 HG1 THR A 43 2.707 26.028 -4.436 1.00 33.25 H new ATOM 0 HG21 THR A 43 5.036 25.974 -4.916 1.00 21.25 H new ATOM 0 HG22 THR A 43 5.944 24.539 -4.384 1.00 21.25 H new ATOM 0 HG23 THR A 43 4.756 24.402 -5.702 1.00 21.25 H new ATOM 622 N GLY A 44 6.140 22.345 -3.188 1.00 42.32 N ATOM 623 CA GLY A 44 7.288 21.846 -2.438 1.00 53.41 C ATOM 624 C GLY A 44 7.492 20.384 -2.720 1.00 50.30 C ATOM 625 O GLY A 44 8.452 19.753 -2.262 1.00 25.24 O ATOM 0 H GLY A 44 6.318 22.495 -4.181 1.00 42.32 H new ATOM 0 HA2 GLY A 44 8.182 22.406 -2.712 1.00 53.41 H new ATOM 0 HA3 GLY A 44 7.130 22.000 -1.371 1.00 53.41 H new ATOM 629 N VAL A 45 6.608 19.875 -3.509 1.00 32.42 N ATOM 630 CA VAL A 45 6.530 18.485 -3.838 1.00 43.02 C ATOM 631 C VAL A 45 7.388 18.203 -5.076 1.00 73.22 C ATOM 632 O VAL A 45 7.378 18.995 -6.036 1.00 13.23 O ATOM 633 CB VAL A 45 5.042 18.129 -4.120 1.00 52.21 C ATOM 634 CG1 VAL A 45 4.842 16.658 -4.353 1.00 72.02 C ATOM 635 CG2 VAL A 45 4.151 18.615 -2.988 1.00 61.22 C ATOM 0 H VAL A 45 5.888 20.436 -3.963 1.00 32.42 H new ATOM 0 HA VAL A 45 6.902 17.878 -3.013 1.00 43.02 H new ATOM 0 HB VAL A 45 4.759 18.642 -5.039 1.00 52.21 H new ATOM 0 HG11 VAL A 45 3.788 16.460 -4.545 1.00 72.02 H new ATOM 0 HG12 VAL A 45 5.433 16.342 -5.213 1.00 72.02 H new ATOM 0 HG13 VAL A 45 5.160 16.103 -3.470 1.00 72.02 H new ATOM 0 HG21 VAL A 45 3.114 18.356 -3.204 1.00 61.22 H new ATOM 0 HG22 VAL A 45 4.456 18.141 -2.055 1.00 61.22 H new ATOM 0 HG23 VAL A 45 4.243 19.697 -2.892 1.00 61.22 H new ATOM 645 N SER A 46 8.151 17.121 -5.040 1.00 4.15 N ATOM 646 CA SER A 46 8.972 16.711 -6.181 1.00 0.43 C ATOM 647 C SER A 46 8.049 16.071 -7.245 1.00 2.42 C ATOM 648 O SER A 46 6.839 15.897 -6.997 1.00 13.40 O ATOM 649 CB SER A 46 9.987 15.647 -5.728 1.00 72.43 C ATOM 650 OG SER A 46 10.642 15.980 -4.508 1.00 5.43 O ATOM 0 H SER A 46 8.222 16.505 -4.230 1.00 4.15 H new ATOM 0 HA SER A 46 9.495 17.577 -6.586 1.00 0.43 H new ATOM 0 HB2 SER A 46 9.474 14.693 -5.609 1.00 72.43 H new ATOM 0 HB3 SER A 46 10.735 15.512 -6.509 1.00 72.43 H new ATOM 0 HG SER A 46 10.849 15.160 -4.013 1.00 5.43 H new ATOM 656 N ARG A 47 8.597 15.703 -8.414 1.00 72.51 N ATOM 657 CA ARG A 47 7.799 14.977 -9.412 1.00 33.31 C ATOM 658 C ARG A 47 7.491 13.593 -8.886 1.00 21.10 C ATOM 659 O ARG A 47 6.483 12.995 -9.207 1.00 42.21 O ATOM 660 CB ARG A 47 8.458 14.943 -10.797 1.00 55.03 C ATOM 661 CG ARG A 47 9.756 14.173 -10.911 1.00 75.41 C ATOM 662 CD ARG A 47 10.371 14.404 -12.276 1.00 22.41 C ATOM 663 NE ARG A 47 10.798 15.811 -12.446 1.00 45.13 N ATOM 664 CZ ARG A 47 10.436 16.635 -13.455 1.00 54.41 C ATOM 665 NH1 ARG A 47 9.589 16.221 -14.404 1.00 20.12 N ATOM 666 NH2 ARG A 47 10.918 17.882 -13.501 1.00 43.32 N ATOM 0 H ARG A 47 9.562 15.890 -8.686 1.00 72.51 H new ATOM 0 HA ARG A 47 6.864 15.516 -9.563 1.00 33.31 H new ATOM 0 HB2 ARG A 47 7.746 14.516 -11.503 1.00 55.03 H new ATOM 0 HB3 ARG A 47 8.642 15.970 -11.112 1.00 55.03 H new ATOM 0 HG2 ARG A 47 10.448 14.491 -10.131 1.00 75.41 H new ATOM 0 HG3 ARG A 47 9.573 13.109 -10.760 1.00 75.41 H new ATOM 0 HD2 ARG A 47 11.228 13.744 -12.407 1.00 22.41 H new ATOM 0 HD3 ARG A 47 9.649 14.145 -13.050 1.00 22.41 H new ATOM 0 HE ARG A 47 11.423 16.194 -11.737 1.00 45.13 H new ATOM 0 HH11 ARG A 47 9.209 15.275 -14.371 1.00 20.12 H new ATOM 0 HH12 ARG A 47 9.323 16.851 -15.160 1.00 20.12 H new ATOM 0 HH21 ARG A 47 11.557 18.209 -12.776 1.00 43.32 H new ATOM 0 HH22 ARG A 47 10.647 18.506 -14.261 1.00 43.32 H new ATOM 680 N ARG A 48 8.393 13.113 -8.077 1.00 74.53 N ATOM 681 CA ARG A 48 8.203 11.952 -7.281 1.00 43.22 C ATOM 682 C ARG A 48 8.572 12.392 -5.908 1.00 30.34 C ATOM 683 O ARG A 48 9.723 12.606 -5.644 1.00 62.33 O ATOM 684 CB ARG A 48 9.113 10.796 -7.688 1.00 21.11 C ATOM 685 CG ARG A 48 8.945 10.311 -9.104 1.00 12.35 C ATOM 686 CD ARG A 48 9.739 9.040 -9.324 1.00 23.53 C ATOM 687 NE ARG A 48 11.178 9.199 -9.116 1.00 43.51 N ATOM 688 CZ ARG A 48 12.034 8.175 -9.006 1.00 11.20 C ATOM 689 NH1 ARG A 48 11.588 6.918 -9.076 1.00 70.50 N ATOM 690 NH2 ARG A 48 13.325 8.404 -8.831 1.00 35.22 N ATOM 0 H ARG A 48 9.311 13.541 -7.956 1.00 74.53 H new ATOM 0 HA ARG A 48 7.183 11.581 -7.381 1.00 43.22 H new ATOM 0 HB2 ARG A 48 10.149 11.104 -7.548 1.00 21.11 H new ATOM 0 HB3 ARG A 48 8.935 9.960 -7.012 1.00 21.11 H new ATOM 0 HG2 ARG A 48 7.890 10.129 -9.310 1.00 12.35 H new ATOM 0 HG3 ARG A 48 9.278 11.080 -9.801 1.00 12.35 H new ATOM 0 HD2 ARG A 48 9.367 8.269 -8.649 1.00 23.53 H new ATOM 0 HD3 ARG A 48 9.565 8.685 -10.340 1.00 23.53 H new ATOM 0 HE ARG A 48 11.552 10.146 -9.051 1.00 43.51 H new ATOM 0 HH11 ARG A 48 10.594 6.737 -9.214 1.00 70.50 H new ATOM 0 HH12 ARG A 48 12.242 6.140 -8.992 1.00 70.50 H new ATOM 0 HH21 ARG A 48 13.671 9.362 -8.780 1.00 35.22 H new ATOM 0 HH22 ARG A 48 13.975 7.622 -8.747 1.00 35.22 H new ATOM 704 N HIS A 49 7.612 12.625 -5.084 1.00 75.23 N ATOM 705 CA HIS A 49 7.880 13.104 -3.744 1.00 22.41 C ATOM 706 C HIS A 49 8.000 11.936 -2.814 1.00 64.40 C ATOM 707 O HIS A 49 8.763 11.962 -1.883 1.00 5.40 O ATOM 708 CB HIS A 49 6.776 14.086 -3.278 1.00 0.04 C ATOM 709 CG HIS A 49 6.907 14.574 -1.850 1.00 14.24 C ATOM 710 ND1 HIS A 49 7.517 15.766 -1.543 1.00 34.44 N ATOM 711 CD2 HIS A 49 6.509 13.970 -0.700 1.00 75.21 C ATOM 712 CE1 HIS A 49 7.481 15.845 -0.213 1.00 22.50 C ATOM 713 NE2 HIS A 49 6.883 14.780 0.333 1.00 10.10 N ATOM 0 H HIS A 49 6.624 12.496 -5.301 1.00 75.23 H new ATOM 0 HA HIS A 49 8.822 13.653 -3.740 1.00 22.41 H new ATOM 0 HB2 HIS A 49 6.777 14.950 -3.942 1.00 0.04 H new ATOM 0 HB3 HIS A 49 5.808 13.599 -3.391 1.00 0.04 H new ATOM 0 HD2 HIS A 49 5.993 13.025 -0.618 1.00 75.21 H new ATOM 0 HE1 HIS A 49 7.886 16.669 0.355 1.00 22.50 H new ATOM 0 HE2 HIS A 49 6.735 14.607 1.327 1.00 10.10 H new ATOM 721 N LEU A 50 7.256 10.916 -3.085 1.00 23.22 N ATOM 722 CA LEU A 50 7.262 9.751 -2.265 1.00 4.34 C ATOM 723 C LEU A 50 6.656 8.615 -3.023 1.00 24.23 C ATOM 724 O LEU A 50 5.787 8.818 -3.872 1.00 32.22 O ATOM 725 CB LEU A 50 6.506 10.048 -0.942 1.00 33.31 C ATOM 726 CG LEU A 50 6.270 8.891 0.036 1.00 10.22 C ATOM 727 CD1 LEU A 50 6.197 9.441 1.432 1.00 62.23 C ATOM 728 CD2 LEU A 50 4.948 8.192 -0.272 1.00 42.41 C ATOM 0 H LEU A 50 6.624 10.867 -3.884 1.00 23.22 H new ATOM 0 HA LEU A 50 8.281 9.468 -2.003 1.00 4.34 H new ATOM 0 HB2 LEU A 50 7.057 10.825 -0.411 1.00 33.31 H new ATOM 0 HB3 LEU A 50 5.534 10.467 -1.202 1.00 33.31 H new ATOM 0 HG LEU A 50 7.088 8.178 -0.061 1.00 10.22 H new ATOM 0 HD11 LEU A 50 6.029 8.626 2.136 1.00 62.23 H new ATOM 0 HD12 LEU A 50 7.134 9.943 1.675 1.00 62.23 H new ATOM 0 HD13 LEU A 50 5.375 10.154 1.500 1.00 62.23 H new ATOM 0 HD21 LEU A 50 4.797 7.373 0.432 1.00 42.41 H new ATOM 0 HD22 LEU A 50 4.129 8.906 -0.180 1.00 42.41 H new ATOM 0 HD23 LEU A 50 4.973 7.797 -1.288 1.00 42.41 H new ATOM 740 N GLU A 51 7.127 7.443 -2.772 1.00 22.15 N ATOM 741 CA GLU A 51 6.559 6.283 -3.370 1.00 31.24 C ATOM 742 C GLU A 51 6.258 5.256 -2.315 1.00 51.32 C ATOM 743 O GLU A 51 6.967 5.141 -1.303 1.00 13.44 O ATOM 744 CB GLU A 51 7.462 5.668 -4.443 1.00 55.44 C ATOM 745 CG GLU A 51 8.803 5.188 -3.928 1.00 43.21 C ATOM 746 CD GLU A 51 9.548 4.383 -4.949 1.00 75.32 C ATOM 747 OE1 GLU A 51 10.023 4.960 -5.943 1.00 72.52 O ATOM 748 OE2 GLU A 51 9.677 3.154 -4.781 1.00 45.22 O ATOM 0 H GLU A 51 7.914 7.261 -2.149 1.00 22.15 H new ATOM 0 HA GLU A 51 5.639 6.598 -3.862 1.00 31.24 H new ATOM 0 HB2 GLU A 51 6.941 4.828 -4.903 1.00 55.44 H new ATOM 0 HB3 GLU A 51 7.630 6.406 -5.227 1.00 55.44 H new ATOM 0 HG2 GLU A 51 9.406 6.047 -3.635 1.00 43.21 H new ATOM 0 HG3 GLU A 51 8.651 4.585 -3.033 1.00 43.21 H new ATOM 755 N ILE A 52 5.194 4.569 -2.510 1.00 34.15 N ATOM 756 CA ILE A 52 4.872 3.464 -1.695 1.00 51.10 C ATOM 757 C ILE A 52 4.957 2.233 -2.551 1.00 40.22 C ATOM 758 O ILE A 52 4.105 2.013 -3.421 1.00 43.45 O ATOM 759 CB ILE A 52 3.469 3.551 -1.084 1.00 0.44 C ATOM 760 CG1 ILE A 52 3.333 4.803 -0.204 1.00 42.43 C ATOM 761 CG2 ILE A 52 3.224 2.291 -0.282 1.00 1.43 C ATOM 762 CD1 ILE A 52 1.947 5.017 0.377 1.00 12.42 C ATOM 0 H ILE A 52 4.517 4.762 -3.248 1.00 34.15 H new ATOM 0 HA ILE A 52 5.574 3.441 -0.861 1.00 51.10 H new ATOM 0 HB ILE A 52 2.723 3.634 -1.874 1.00 0.44 H new ATOM 0 HG12 ILE A 52 4.050 4.736 0.614 1.00 42.43 H new ATOM 0 HG13 ILE A 52 3.605 5.678 -0.795 1.00 42.43 H new ATOM 0 HG21 ILE A 52 2.230 2.331 0.163 1.00 1.43 H new ATOM 0 HG22 ILE A 52 3.294 1.423 -0.938 1.00 1.43 H new ATOM 0 HG23 ILE A 52 3.972 2.211 0.507 1.00 1.43 H new ATOM 0 HD11 ILE A 52 1.943 5.922 0.984 1.00 12.42 H new ATOM 0 HD12 ILE A 52 1.225 5.119 -0.433 1.00 12.42 H new ATOM 0 HD13 ILE A 52 1.677 4.163 0.998 1.00 12.42 H new ATOM 774 N ARG A 53 5.975 1.473 -2.355 1.00 42.11 N ATOM 775 CA ARG A 53 6.165 0.290 -3.114 1.00 3.00 C ATOM 776 C ARG A 53 5.526 -0.852 -2.360 1.00 11.42 C ATOM 777 O ARG A 53 5.996 -1.261 -1.297 1.00 3.24 O ATOM 778 CB ARG A 53 7.647 0.074 -3.379 1.00 1.23 C ATOM 779 CG ARG A 53 7.957 -1.028 -4.368 1.00 10.43 C ATOM 780 CD ARG A 53 9.412 -0.964 -4.798 1.00 2.10 C ATOM 781 NE ARG A 53 9.742 0.361 -5.378 1.00 22.24 N ATOM 782 CZ ARG A 53 10.314 0.576 -6.565 1.00 51.33 C ATOM 783 NH1 ARG A 53 10.663 -0.437 -7.340 1.00 4.23 N ATOM 784 NH2 ARG A 53 10.545 1.822 -6.959 1.00 23.03 N ATOM 0 H ARG A 53 6.701 1.655 -1.662 1.00 42.11 H new ATOM 0 HA ARG A 53 5.690 0.363 -4.092 1.00 3.00 H new ATOM 0 HB2 ARG A 53 8.076 1.006 -3.747 1.00 1.23 H new ATOM 0 HB3 ARG A 53 8.142 -0.154 -2.435 1.00 1.23 H new ATOM 0 HG2 ARG A 53 7.747 -1.998 -3.918 1.00 10.43 H new ATOM 0 HG3 ARG A 53 7.310 -0.935 -5.240 1.00 10.43 H new ATOM 0 HD2 ARG A 53 10.056 -1.159 -3.941 1.00 2.10 H new ATOM 0 HD3 ARG A 53 9.612 -1.745 -5.532 1.00 2.10 H new ATOM 0 HE ARG A 53 9.511 1.182 -4.819 1.00 22.24 H new ATOM 0 HH11 ARG A 53 10.496 -1.395 -7.033 1.00 4.23 H new ATOM 0 HH12 ARG A 53 11.099 -0.260 -8.245 1.00 4.23 H new ATOM 0 HH21 ARG A 53 10.286 2.604 -6.357 1.00 23.03 H new ATOM 0 HH22 ARG A 53 10.982 1.998 -7.864 1.00 23.03 H new ATOM 798 N TRP A 54 4.434 -1.307 -2.878 1.00 22.42 N ATOM 799 CA TRP A 54 3.640 -2.297 -2.239 1.00 12.43 C ATOM 800 C TRP A 54 3.737 -3.635 -2.950 1.00 31.33 C ATOM 801 O TRP A 54 3.509 -3.744 -4.164 1.00 24.23 O ATOM 802 CB TRP A 54 2.174 -1.813 -2.125 1.00 5.22 C ATOM 803 CG TRP A 54 1.201 -2.875 -1.693 1.00 72.53 C ATOM 804 CD1 TRP A 54 0.149 -3.349 -2.412 1.00 15.41 C ATOM 805 CD2 TRP A 54 1.214 -3.616 -0.468 1.00 55.21 C ATOM 806 NE1 TRP A 54 -0.489 -4.332 -1.712 1.00 31.33 N ATOM 807 CE2 TRP A 54 0.142 -4.516 -0.517 1.00 74.11 C ATOM 808 CE3 TRP A 54 2.028 -3.606 0.653 1.00 54.30 C ATOM 809 CZ2 TRP A 54 -0.139 -5.400 0.523 1.00 22.23 C ATOM 810 CZ3 TRP A 54 1.758 -4.477 1.685 1.00 11.14 C ATOM 811 CH2 TRP A 54 0.683 -5.366 1.616 1.00 24.31 C ATOM 0 H TRP A 54 4.063 -0.993 -3.775 1.00 22.42 H new ATOM 0 HA TRP A 54 4.027 -2.450 -1.232 1.00 12.43 H new ATOM 0 HB2 TRP A 54 2.131 -0.987 -1.415 1.00 5.22 H new ATOM 0 HB3 TRP A 54 1.858 -1.419 -3.091 1.00 5.22 H new ATOM 0 HD1 TRP A 54 -0.139 -2.999 -3.392 1.00 15.41 H new ATOM 0 HE1 TRP A 54 -1.309 -4.848 -2.032 1.00 31.33 H new ATOM 0 HE3 TRP A 54 2.863 -2.924 0.717 1.00 54.30 H new ATOM 0 HZ2 TRP A 54 -0.972 -6.085 0.468 1.00 22.23 H new ATOM 0 HZ3 TRP A 54 2.388 -4.473 2.562 1.00 11.14 H new ATOM 0 HH2 TRP A 54 0.497 -6.039 2.440 1.00 24.31 H new ATOM 822 N ASP A 55 4.072 -4.624 -2.184 1.00 50.13 N ATOM 823 CA ASP A 55 4.154 -5.988 -2.621 1.00 63.55 C ATOM 824 C ASP A 55 3.512 -6.799 -1.532 1.00 32.45 C ATOM 825 O ASP A 55 3.470 -6.336 -0.392 1.00 63.01 O ATOM 826 CB ASP A 55 5.623 -6.405 -2.816 1.00 44.34 C ATOM 827 CG ASP A 55 5.789 -7.852 -3.242 1.00 52.44 C ATOM 828 OD1 ASP A 55 5.579 -8.171 -4.434 1.00 24.33 O ATOM 829 OD2 ASP A 55 6.156 -8.687 -2.407 1.00 4.33 O ATOM 0 H ASP A 55 4.306 -4.503 -1.199 1.00 50.13 H new ATOM 0 HA ASP A 55 3.656 -6.136 -3.579 1.00 63.55 H new ATOM 0 HB2 ASP A 55 6.080 -5.759 -3.566 1.00 44.34 H new ATOM 0 HB3 ASP A 55 6.165 -6.244 -1.884 1.00 44.34 H new ATOM 834 N GLY A 56 3.002 -7.971 -1.845 1.00 43.13 N ATOM 835 CA GLY A 56 2.322 -8.798 -0.848 1.00 31.13 C ATOM 836 C GLY A 56 3.273 -9.441 0.160 1.00 63.22 C ATOM 837 O GLY A 56 3.260 -10.662 0.352 1.00 21.35 O ATOM 0 H GLY A 56 3.041 -8.380 -2.779 1.00 43.13 H new ATOM 0 HA2 GLY A 56 1.597 -8.185 -0.312 1.00 31.13 H new ATOM 0 HA3 GLY A 56 1.762 -9.582 -1.358 1.00 31.13 H new ATOM 841 N GLN A 57 4.056 -8.619 0.810 1.00 4.54 N ATOM 842 CA GLN A 57 5.028 -9.019 1.784 1.00 43.11 C ATOM 843 C GLN A 57 5.161 -7.893 2.811 1.00 2.52 C ATOM 844 O GLN A 57 4.818 -8.053 3.983 1.00 0.23 O ATOM 845 CB GLN A 57 6.382 -9.280 1.093 1.00 62.30 C ATOM 846 CG GLN A 57 7.489 -9.739 2.030 1.00 70.53 C ATOM 847 CD GLN A 57 8.813 -9.970 1.324 1.00 33.21 C ATOM 848 OE1 GLN A 57 8.860 -10.328 0.149 1.00 51.03 O ATOM 849 NE2 GLN A 57 9.888 -9.763 2.024 1.00 72.54 N ATOM 0 H GLN A 57 4.029 -7.610 0.666 1.00 4.54 H new ATOM 0 HA GLN A 57 4.717 -9.938 2.280 1.00 43.11 H new ATOM 0 HB2 GLN A 57 6.241 -10.035 0.319 1.00 62.30 H new ATOM 0 HB3 GLN A 57 6.702 -8.366 0.592 1.00 62.30 H new ATOM 0 HG2 GLN A 57 7.627 -8.992 2.812 1.00 70.53 H new ATOM 0 HG3 GLN A 57 7.181 -10.662 2.521 1.00 70.53 H new ATOM 0 HE21 GLN A 57 9.814 -9.466 2.997 1.00 72.54 H new ATOM 0 HE22 GLN A 57 10.806 -9.897 1.600 1.00 72.54 H new ATOM 858 N VAL A 58 5.615 -6.744 2.346 1.00 71.31 N ATOM 859 CA VAL A 58 5.808 -5.560 3.174 1.00 24.45 C ATOM 860 C VAL A 58 5.392 -4.333 2.396 1.00 43.50 C ATOM 861 O VAL A 58 5.315 -4.375 1.162 1.00 41.44 O ATOM 862 CB VAL A 58 7.289 -5.374 3.652 1.00 65.04 C ATOM 863 CG1 VAL A 58 7.706 -6.454 4.637 1.00 74.45 C ATOM 864 CG2 VAL A 58 8.255 -5.329 2.468 1.00 61.21 C ATOM 0 H VAL A 58 5.865 -6.601 1.367 1.00 71.31 H new ATOM 0 HA VAL A 58 5.193 -5.695 4.064 1.00 24.45 H new ATOM 0 HB VAL A 58 7.335 -4.416 4.169 1.00 65.04 H new ATOM 0 HG11 VAL A 58 8.739 -6.288 4.943 1.00 74.45 H new ATOM 0 HG12 VAL A 58 7.058 -6.418 5.513 1.00 74.45 H new ATOM 0 HG13 VAL A 58 7.621 -7.432 4.163 1.00 74.45 H new ATOM 0 HG21 VAL A 58 9.273 -5.199 2.834 1.00 61.21 H new ATOM 0 HG22 VAL A 58 8.187 -6.261 1.907 1.00 61.21 H new ATOM 0 HG23 VAL A 58 7.994 -4.494 1.817 1.00 61.21 H new ATOM 874 N ALA A 59 5.111 -3.265 3.095 1.00 1.11 N ATOM 875 CA ALA A 59 4.747 -2.030 2.465 1.00 4.32 C ATOM 876 C ALA A 59 5.917 -1.098 2.575 1.00 75.30 C ATOM 877 O ALA A 59 6.171 -0.506 3.635 1.00 64.31 O ATOM 878 CB ALA A 59 3.510 -1.438 3.110 1.00 14.51 C ATOM 0 H ALA A 59 5.129 -3.230 4.114 1.00 1.11 H new ATOM 0 HA ALA A 59 4.504 -2.198 1.416 1.00 4.32 H new ATOM 0 HB1 ALA A 59 3.254 -0.502 2.614 1.00 14.51 H new ATOM 0 HB2 ALA A 59 2.680 -2.138 3.015 1.00 14.51 H new ATOM 0 HB3 ALA A 59 3.705 -1.248 4.165 1.00 14.51 H new ATOM 884 N LEU A 60 6.625 -0.978 1.497 1.00 25.23 N ATOM 885 CA LEU A 60 7.854 -0.263 1.474 1.00 75.33 C ATOM 886 C LEU A 60 7.632 1.202 1.136 1.00 44.22 C ATOM 887 O LEU A 60 7.390 1.573 -0.013 1.00 24.14 O ATOM 888 CB LEU A 60 8.796 -0.925 0.475 1.00 75.44 C ATOM 889 CG LEU A 60 10.217 -0.397 0.405 1.00 24.10 C ATOM 890 CD1 LEU A 60 10.943 -0.654 1.716 1.00 22.21 C ATOM 891 CD2 LEU A 60 10.945 -1.046 -0.756 1.00 63.11 C ATOM 0 H LEU A 60 6.359 -1.380 0.598 1.00 25.23 H new ATOM 0 HA LEU A 60 8.306 -0.294 2.466 1.00 75.33 H new ATOM 0 HB2 LEU A 60 8.842 -1.989 0.708 1.00 75.44 H new ATOM 0 HB3 LEU A 60 8.353 -0.835 -0.517 1.00 75.44 H new ATOM 0 HG LEU A 60 10.193 0.681 0.242 1.00 24.10 H new ATOM 0 HD11 LEU A 60 11.961 -0.270 1.650 1.00 22.21 H new ATOM 0 HD12 LEU A 60 10.417 -0.151 2.528 1.00 22.21 H new ATOM 0 HD13 LEU A 60 10.972 -1.726 1.912 1.00 22.21 H new ATOM 0 HD21 LEU A 60 11.965 -0.665 -0.804 1.00 63.11 H new ATOM 0 HD22 LEU A 60 10.967 -2.126 -0.613 1.00 63.11 H new ATOM 0 HD23 LEU A 60 10.427 -0.814 -1.686 1.00 63.11 H new ATOM 903 N LEU A 61 7.670 2.002 2.143 1.00 11.44 N ATOM 904 CA LEU A 61 7.525 3.422 2.028 1.00 14.22 C ATOM 905 C LEU A 61 8.907 4.005 1.713 1.00 22.32 C ATOM 906 O LEU A 61 9.915 3.614 2.342 1.00 30.44 O ATOM 907 CB LEU A 61 6.923 3.942 3.380 1.00 42.10 C ATOM 908 CG LEU A 61 6.590 5.446 3.589 1.00 24.43 C ATOM 909 CD1 LEU A 61 7.817 6.351 3.600 1.00 24.31 C ATOM 910 CD2 LEU A 61 5.574 5.910 2.569 1.00 42.55 C ATOM 0 H LEU A 61 7.807 1.683 3.102 1.00 11.44 H new ATOM 0 HA LEU A 61 6.852 3.726 1.227 1.00 14.22 H new ATOM 0 HB2 LEU A 61 6.002 3.385 3.553 1.00 42.10 H new ATOM 0 HB3 LEU A 61 7.620 3.658 4.169 1.00 42.10 H new ATOM 0 HG LEU A 61 6.158 5.530 4.586 1.00 24.43 H new ATOM 0 HD11 LEU A 61 7.505 7.385 3.750 1.00 24.31 H new ATOM 0 HD12 LEU A 61 8.483 6.051 4.409 1.00 24.31 H new ATOM 0 HD13 LEU A 61 8.341 6.265 2.648 1.00 24.31 H new ATOM 0 HD21 LEU A 61 5.352 6.965 2.730 1.00 42.55 H new ATOM 0 HD22 LEU A 61 5.977 5.773 1.566 1.00 42.55 H new ATOM 0 HD23 LEU A 61 4.659 5.327 2.675 1.00 42.55 H new ATOM 922 N ALA A 62 8.973 4.858 0.709 1.00 21.03 N ATOM 923 CA ALA A 62 10.205 5.511 0.331 1.00 11.00 C ATOM 924 C ALA A 62 9.952 6.973 -0.009 1.00 54.23 C ATOM 925 O ALA A 62 9.213 7.287 -0.944 1.00 51.34 O ATOM 926 CB ALA A 62 10.863 4.799 -0.837 1.00 72.35 C ATOM 0 H ALA A 62 8.171 5.116 0.134 1.00 21.03 H new ATOM 0 HA ALA A 62 10.886 5.465 1.181 1.00 11.00 H new ATOM 0 HB1 ALA A 62 11.788 5.311 -1.101 1.00 72.35 H new ATOM 0 HB2 ALA A 62 11.086 3.769 -0.557 1.00 72.35 H new ATOM 0 HB3 ALA A 62 10.188 4.804 -1.693 1.00 72.35 H new ATOM 932 N ASP A 63 10.542 7.845 0.760 1.00 42.14 N ATOM 933 CA ASP A 63 10.410 9.286 0.569 1.00 1.22 C ATOM 934 C ASP A 63 11.448 9.771 -0.438 1.00 2.54 C ATOM 935 O ASP A 63 12.626 9.350 -0.397 1.00 10.21 O ATOM 936 CB ASP A 63 10.576 10.008 1.911 1.00 73.23 C ATOM 937 CG ASP A 63 10.371 11.506 1.830 1.00 52.34 C ATOM 938 OD1 ASP A 63 9.424 11.947 1.175 1.00 74.55 O ATOM 939 OD2 ASP A 63 11.129 12.251 2.476 1.00 41.11 O ATOM 0 H ASP A 63 11.136 7.586 1.548 1.00 42.14 H new ATOM 0 HA ASP A 63 9.417 9.510 0.178 1.00 1.22 H new ATOM 0 HB2 ASP A 63 9.867 9.592 2.627 1.00 73.23 H new ATOM 0 HB3 ASP A 63 11.575 9.808 2.299 1.00 73.23 H new ATOM 944 N LEU A 64 11.031 10.608 -1.344 1.00 14.15 N ATOM 945 CA LEU A 64 11.889 11.110 -2.395 1.00 50.04 C ATOM 946 C LEU A 64 11.884 12.657 -2.304 1.00 42.52 C ATOM 947 O LEU A 64 11.217 13.353 -3.105 1.00 61.04 O ATOM 948 CB LEU A 64 11.288 10.640 -3.756 1.00 11.12 C ATOM 949 CG LEU A 64 12.163 10.590 -5.046 1.00 30.23 C ATOM 950 CD1 LEU A 64 12.912 11.877 -5.350 1.00 24.51 C ATOM 951 CD2 LEU A 64 13.082 9.387 -5.055 1.00 52.34 C ATOM 0 H LEU A 64 10.078 10.969 -1.380 1.00 14.15 H new ATOM 0 HA LEU A 64 12.912 10.745 -2.304 1.00 50.04 H new ATOM 0 HB2 LEU A 64 10.891 9.637 -3.600 1.00 11.12 H new ATOM 0 HB3 LEU A 64 10.439 11.289 -3.971 1.00 11.12 H new ATOM 0 HG LEU A 64 11.452 10.479 -5.865 1.00 30.23 H new ATOM 0 HD11 LEU A 64 13.494 11.752 -6.263 1.00 24.51 H new ATOM 0 HD12 LEU A 64 12.199 12.690 -5.483 1.00 24.51 H new ATOM 0 HD13 LEU A 64 13.581 12.113 -4.523 1.00 24.51 H new ATOM 0 HD21 LEU A 64 13.674 9.389 -5.970 1.00 52.34 H new ATOM 0 HD22 LEU A 64 13.747 9.430 -4.192 1.00 52.34 H new ATOM 0 HD23 LEU A 64 12.487 8.475 -5.009 1.00 52.34 H new ATOM 963 N ASN A 65 12.623 13.188 -1.335 1.00 14.21 N ATOM 964 CA ASN A 65 12.715 14.635 -1.108 1.00 1.44 C ATOM 965 C ASN A 65 13.549 14.888 0.149 1.00 31.41 C ATOM 966 O ASN A 65 13.565 14.064 1.054 1.00 70.31 O ATOM 967 CB ASN A 65 11.329 15.255 -0.864 1.00 22.22 C ATOM 968 CG ASN A 65 11.356 16.752 -1.003 1.00 53.21 C ATOM 969 OD1 ASN A 65 11.731 17.457 -0.109 1.00 40.53 O ATOM 970 ND2 ASN A 65 10.927 17.247 -2.110 1.00 1.44 N ATOM 0 H ASN A 65 13.176 12.632 -0.683 1.00 14.21 H new ATOM 0 HA ASN A 65 13.164 15.083 -1.994 1.00 1.44 H new ATOM 0 HB2 ASN A 65 10.614 14.837 -1.572 1.00 22.22 H new ATOM 0 HB3 ASN A 65 10.982 14.989 0.134 1.00 22.22 H new ATOM 0 HD21 ASN A 65 10.901 18.258 -2.240 1.00 1.44 H new ATOM 0 HD22 ASN A 65 10.613 16.628 -2.857 1.00 1.44 H new ATOM 977 N SER A 66 14.289 15.974 0.184 1.00 43.21 N ATOM 978 CA SER A 66 15.023 16.331 1.377 1.00 25.34 C ATOM 979 C SER A 66 14.440 17.580 2.097 1.00 3.12 C ATOM 980 O SER A 66 14.193 17.557 3.309 1.00 50.32 O ATOM 981 CB SER A 66 16.517 16.469 1.074 1.00 74.15 C ATOM 982 OG SER A 66 16.757 17.305 -0.053 1.00 71.52 O ATOM 0 H SER A 66 14.398 16.622 -0.596 1.00 43.21 H new ATOM 0 HA SER A 66 14.905 15.512 2.087 1.00 25.34 H new ATOM 0 HB2 SER A 66 17.027 16.880 1.945 1.00 74.15 H new ATOM 0 HB3 SER A 66 16.943 15.482 0.891 1.00 74.15 H new ATOM 0 HG SER A 66 17.722 17.369 -0.213 1.00 71.52 H new ATOM 988 N THR A 67 14.177 18.642 1.334 1.00 2.01 N ATOM 989 CA THR A 67 13.734 19.934 1.889 1.00 23.11 C ATOM 990 C THR A 67 12.325 19.851 2.514 1.00 11.51 C ATOM 991 O THR A 67 12.035 20.471 3.532 1.00 50.02 O ATOM 992 CB THR A 67 13.789 21.074 0.789 1.00 60.35 C ATOM 993 OG1 THR A 67 13.417 22.349 1.330 1.00 35.53 O ATOM 994 CG2 THR A 67 12.896 20.755 -0.417 1.00 43.40 C ATOM 0 H THR A 67 14.263 18.637 0.318 1.00 2.01 H new ATOM 0 HA THR A 67 14.429 20.188 2.690 1.00 23.11 H new ATOM 0 HB THR A 67 14.825 21.119 0.452 1.00 60.35 H new ATOM 0 HG1 THR A 67 13.463 23.029 0.626 1.00 35.53 H new ATOM 0 HG21 THR A 67 12.965 21.563 -1.145 1.00 43.40 H new ATOM 0 HG22 THR A 67 13.225 19.823 -0.877 1.00 43.40 H new ATOM 0 HG23 THR A 67 11.862 20.651 -0.087 1.00 43.40 H new ATOM 1002 N ASN A 68 11.510 19.044 1.935 1.00 43.44 N ATOM 1003 CA ASN A 68 10.114 18.920 2.277 1.00 33.52 C ATOM 1004 C ASN A 68 9.864 17.458 2.685 1.00 52.52 C ATOM 1005 O ASN A 68 8.752 16.941 2.560 1.00 60.41 O ATOM 1006 CB ASN A 68 9.317 19.277 1.009 1.00 62.52 C ATOM 1007 CG ASN A 68 7.858 19.562 1.240 1.00 64.41 C ATOM 1008 OD1 ASN A 68 7.470 20.093 2.271 1.00 40.31 O ATOM 1009 ND2 ASN A 68 7.044 19.237 0.271 1.00 3.42 N ATOM 0 H ASN A 68 11.796 18.422 1.179 1.00 43.44 H new ATOM 0 HA ASN A 68 9.817 19.573 3.098 1.00 33.52 H new ATOM 0 HB2 ASN A 68 9.774 20.150 0.544 1.00 62.52 H new ATOM 0 HB3 ASN A 68 9.404 18.455 0.299 1.00 62.52 H new ATOM 0 HD21 ASN A 68 6.045 19.425 0.359 1.00 3.42 H new ATOM 0 HD22 ASN A 68 7.407 18.795 -0.574 1.00 3.42 H new ATOM 1016 N GLY A 69 10.940 16.828 3.189 1.00 52.05 N ATOM 1017 CA GLY A 69 10.963 15.404 3.563 1.00 32.40 C ATOM 1018 C GLY A 69 9.771 14.924 4.387 1.00 41.23 C ATOM 1019 O GLY A 69 9.260 15.637 5.278 1.00 52.24 O ATOM 0 H GLY A 69 11.829 17.301 3.350 1.00 52.05 H new ATOM 0 HA2 GLY A 69 11.017 14.808 2.652 1.00 32.40 H new ATOM 0 HA3 GLY A 69 11.875 15.209 4.127 1.00 32.40 H new ATOM 1023 N THR A 70 9.362 13.724 4.110 1.00 4.11 N ATOM 1024 CA THR A 70 8.208 13.119 4.711 1.00 52.05 C ATOM 1025 C THR A 70 8.529 12.462 6.080 1.00 21.10 C ATOM 1026 O THR A 70 9.655 12.019 6.348 1.00 21.03 O ATOM 1027 CB THR A 70 7.622 12.091 3.730 1.00 25.31 C ATOM 1028 OG1 THR A 70 7.339 12.751 2.478 1.00 12.20 O ATOM 1029 CG2 THR A 70 6.354 11.452 4.267 1.00 2.15 C ATOM 0 H THR A 70 9.835 13.118 3.439 1.00 4.11 H new ATOM 0 HA THR A 70 7.475 13.899 4.915 1.00 52.05 H new ATOM 0 HB THR A 70 8.355 11.296 3.590 1.00 25.31 H new ATOM 0 HG1 THR A 70 8.027 12.515 1.821 1.00 12.20 H new ATOM 0 HG21 THR A 70 5.974 10.732 3.542 1.00 2.15 H new ATOM 0 HG22 THR A 70 6.573 10.941 5.205 1.00 2.15 H new ATOM 0 HG23 THR A 70 5.603 12.223 4.441 1.00 2.15 H new ATOM 1037 N THR A 71 7.525 12.425 6.933 1.00 13.14 N ATOM 1038 CA THR A 71 7.629 11.862 8.240 1.00 53.04 C ATOM 1039 C THR A 71 6.626 10.733 8.428 1.00 10.11 C ATOM 1040 O THR A 71 5.526 10.799 7.911 1.00 14.33 O ATOM 1041 CB THR A 71 7.373 12.944 9.299 1.00 54.41 C ATOM 1042 OG1 THR A 71 6.179 13.687 9.001 1.00 64.21 O ATOM 1043 CG2 THR A 71 8.519 13.882 9.388 1.00 21.01 C ATOM 0 H THR A 71 6.599 12.797 6.720 1.00 13.14 H new ATOM 0 HA THR A 71 8.636 11.461 8.355 1.00 53.04 H new ATOM 0 HB THR A 71 7.249 12.436 10.255 1.00 54.41 H new ATOM 0 HG1 THR A 71 5.901 13.504 8.079 1.00 64.21 H new ATOM 0 HG21 THR A 71 8.312 14.638 10.145 1.00 21.01 H new ATOM 0 HG22 THR A 71 9.419 13.332 9.661 1.00 21.01 H new ATOM 0 HG23 THR A 71 8.669 14.366 8.423 1.00 21.01 H new ATOM 1051 N VAL A 72 7.012 9.719 9.144 1.00 33.35 N ATOM 1052 CA VAL A 72 6.122 8.628 9.492 1.00 44.03 C ATOM 1053 C VAL A 72 5.862 8.757 10.984 1.00 31.33 C ATOM 1054 O VAL A 72 6.800 8.857 11.780 1.00 40.25 O ATOM 1055 CB VAL A 72 6.737 7.235 9.138 1.00 51.31 C ATOM 1056 CG1 VAL A 72 7.016 7.182 7.647 1.00 2.42 C ATOM 1057 CG2 VAL A 72 8.034 7.001 9.903 1.00 65.15 C ATOM 0 H VAL A 72 7.958 9.616 9.510 1.00 33.35 H new ATOM 0 HA VAL A 72 5.195 8.688 8.921 1.00 44.03 H new ATOM 0 HB VAL A 72 6.027 6.457 9.419 1.00 51.31 H new ATOM 0 HG11 VAL A 72 7.445 6.213 7.391 1.00 2.42 H new ATOM 0 HG12 VAL A 72 6.085 7.323 7.097 1.00 2.42 H new ATOM 0 HG13 VAL A 72 7.718 7.972 7.380 1.00 2.42 H new ATOM 0 HG21 VAL A 72 8.441 6.025 9.639 1.00 65.15 H new ATOM 0 HG22 VAL A 72 8.754 7.777 9.644 1.00 65.15 H new ATOM 0 HG23 VAL A 72 7.835 7.033 10.974 1.00 65.15 H new ATOM 1067 N ASN A 73 4.614 8.893 11.351 1.00 45.04 N ATOM 1068 CA ASN A 73 4.201 9.149 12.745 1.00 25.35 C ATOM 1069 C ASN A 73 4.794 10.481 13.212 1.00 12.51 C ATOM 1070 O ASN A 73 4.984 10.722 14.412 1.00 44.44 O ATOM 1071 CB ASN A 73 4.610 8.007 13.710 1.00 42.54 C ATOM 1072 CG ASN A 73 4.025 6.677 13.314 1.00 72.22 C ATOM 1073 OD1 ASN A 73 2.894 6.321 13.702 1.00 20.11 O ATOM 1074 ND2 ASN A 73 4.776 5.928 12.565 1.00 35.33 N ATOM 0 H ASN A 73 3.832 8.832 10.698 1.00 45.04 H new ATOM 0 HA ASN A 73 3.112 9.196 12.765 1.00 25.35 H new ATOM 0 HB2 ASN A 73 5.697 7.929 13.735 1.00 42.54 H new ATOM 0 HB3 ASN A 73 4.285 8.256 14.720 1.00 42.54 H new ATOM 0 HD21 ASN A 73 4.447 5.008 12.271 1.00 35.33 H new ATOM 0 HD22 ASN A 73 5.695 6.259 12.271 1.00 35.33 H new ATOM 1081 N ASN A 74 5.073 11.339 12.217 1.00 62.45 N ATOM 1082 CA ASN A 74 5.662 12.675 12.361 1.00 10.44 C ATOM 1083 C ASN A 74 7.197 12.583 12.635 1.00 75.34 C ATOM 1084 O ASN A 74 7.860 13.570 12.927 1.00 15.25 O ATOM 1085 CB ASN A 74 4.934 13.533 13.424 1.00 33.14 C ATOM 1086 CG ASN A 74 5.282 15.017 13.351 1.00 70.20 C ATOM 1087 OD1 ASN A 74 5.509 15.570 12.272 1.00 71.13 O ATOM 1088 ND2 ASN A 74 5.323 15.667 14.480 1.00 12.21 N ATOM 0 H ASN A 74 4.883 11.105 11.242 1.00 62.45 H new ATOM 0 HA ASN A 74 5.524 13.191 11.411 1.00 10.44 H new ATOM 0 HB2 ASN A 74 3.858 13.414 13.301 1.00 33.14 H new ATOM 0 HB3 ASN A 74 5.185 13.158 14.416 1.00 33.14 H new ATOM 0 HD21 ASN A 74 5.548 16.662 14.488 1.00 12.21 H new ATOM 0 HD22 ASN A 74 5.130 15.181 15.356 1.00 12.21 H new ATOM 1095 N ALA A 75 7.757 11.388 12.487 1.00 35.11 N ATOM 1096 CA ALA A 75 9.191 11.176 12.645 1.00 15.22 C ATOM 1097 C ALA A 75 9.840 11.064 11.257 1.00 51.34 C ATOM 1098 O ALA A 75 9.387 10.275 10.422 1.00 10.12 O ATOM 1099 CB ALA A 75 9.459 9.922 13.470 1.00 4.43 C ATOM 0 H ALA A 75 7.234 10.544 12.256 1.00 35.11 H new ATOM 0 HA ALA A 75 9.626 12.023 13.176 1.00 15.22 H new ATOM 0 HB1 ALA A 75 10.534 9.780 13.577 1.00 4.43 H new ATOM 0 HB2 ALA A 75 9.007 10.032 14.456 1.00 4.43 H new ATOM 0 HB3 ALA A 75 9.027 9.057 12.967 1.00 4.43 H new ATOM 1105 N PRO A 76 10.867 11.873 10.971 1.00 61.54 N ATOM 1106 CA PRO A 76 11.512 11.899 9.650 1.00 14.44 C ATOM 1107 C PRO A 76 12.383 10.678 9.356 1.00 1.14 C ATOM 1108 O PRO A 76 13.304 10.330 10.121 1.00 72.35 O ATOM 1109 CB PRO A 76 12.354 13.172 9.684 1.00 61.01 C ATOM 1110 CG PRO A 76 12.649 13.400 11.128 1.00 12.11 C ATOM 1111 CD PRO A 76 11.483 12.841 11.902 1.00 15.53 C ATOM 0 HA PRO A 76 10.767 11.880 8.855 1.00 14.44 H new ATOM 0 HB2 PRO A 76 13.271 13.054 9.107 1.00 61.01 H new ATOM 0 HB3 PRO A 76 11.813 14.015 9.254 1.00 61.01 H new ATOM 0 HG2 PRO A 76 13.577 12.906 11.416 1.00 12.11 H new ATOM 0 HG3 PRO A 76 12.776 14.463 11.334 1.00 12.11 H new ATOM 0 HD2 PRO A 76 11.810 12.357 12.822 1.00 15.53 H new ATOM 0 HD3 PRO A 76 10.780 13.624 12.186 1.00 15.53 H new ATOM 1119 N VAL A 77 12.082 10.045 8.240 1.00 13.01 N ATOM 1120 CA VAL A 77 12.786 8.879 7.732 1.00 64.11 C ATOM 1121 C VAL A 77 12.630 8.910 6.225 1.00 4.34 C ATOM 1122 O VAL A 77 11.965 9.806 5.702 1.00 3.35 O ATOM 1123 CB VAL A 77 12.185 7.518 8.244 1.00 41.22 C ATOM 1124 CG1 VAL A 77 12.284 7.358 9.757 1.00 64.50 C ATOM 1125 CG2 VAL A 77 10.748 7.357 7.784 1.00 63.31 C ATOM 0 H VAL A 77 11.312 10.337 7.638 1.00 13.01 H new ATOM 0 HA VAL A 77 13.820 8.924 8.073 1.00 64.11 H new ATOM 0 HB VAL A 77 12.791 6.726 7.803 1.00 41.22 H new ATOM 0 HG11 VAL A 77 11.853 6.401 10.051 1.00 64.50 H new ATOM 0 HG12 VAL A 77 13.331 7.393 10.059 1.00 64.50 H new ATOM 0 HG13 VAL A 77 11.739 8.166 10.245 1.00 64.50 H new ATOM 0 HG21 VAL A 77 10.353 6.409 8.150 1.00 63.31 H new ATOM 0 HG22 VAL A 77 10.146 8.177 8.177 1.00 63.31 H new ATOM 0 HG23 VAL A 77 10.711 7.370 6.695 1.00 63.31 H new ATOM 1135 N GLN A 78 13.226 7.973 5.535 1.00 73.13 N ATOM 1136 CA GLN A 78 13.038 7.872 4.101 1.00 14.14 C ATOM 1137 C GLN A 78 12.424 6.530 3.759 1.00 44.53 C ATOM 1138 O GLN A 78 11.599 6.423 2.875 1.00 32.11 O ATOM 1139 CB GLN A 78 14.353 8.038 3.355 1.00 33.41 C ATOM 1140 CG GLN A 78 15.061 9.342 3.638 1.00 24.51 C ATOM 1141 CD GLN A 78 16.317 9.531 2.818 1.00 44.03 C ATOM 1142 OE1 GLN A 78 16.335 9.018 1.611 1.00 52.12 O flip ATOM 1143 NE2 GLN A 78 17.264 10.160 3.264 1.00 51.32 N flip ATOM 0 H GLN A 78 13.845 7.268 5.936 1.00 73.13 H new ATOM 0 HA GLN A 78 12.369 8.675 3.791 1.00 14.14 H new ATOM 0 HB2 GLN A 78 15.015 7.213 3.618 1.00 33.41 H new ATOM 0 HB3 GLN A 78 14.163 7.965 2.284 1.00 33.41 H new ATOM 0 HG2 GLN A 78 14.378 10.168 3.440 1.00 24.51 H new ATOM 0 HG3 GLN A 78 15.317 9.386 4.697 1.00 24.51 H new ATOM 0 HE21 GLN A 78 17.221 10.547 4.207 1.00 51.32 H new ATOM 0 HE22 GLN A 78 18.098 10.298 2.694 1.00 51.32 H new ATOM 1152 N GLU A 79 12.835 5.525 4.474 1.00 5.40 N ATOM 1153 CA GLU A 79 12.390 4.180 4.271 1.00 32.15 C ATOM 1154 C GLU A 79 11.610 3.718 5.491 1.00 25.41 C ATOM 1155 O GLU A 79 12.035 3.954 6.626 1.00 34.40 O ATOM 1156 CB GLU A 79 13.597 3.241 3.966 1.00 60.52 C ATOM 1157 CG GLU A 79 14.715 3.169 5.040 1.00 61.32 C ATOM 1158 CD GLU A 79 15.461 4.481 5.269 1.00 60.11 C ATOM 1159 OE1 GLU A 79 14.996 5.312 6.086 1.00 3.25 O ATOM 1160 OE2 GLU A 79 16.531 4.702 4.646 1.00 30.13 O ATOM 0 H GLU A 79 13.507 5.622 5.235 1.00 5.40 H new ATOM 0 HA GLU A 79 11.729 4.141 3.405 1.00 32.15 H new ATOM 0 HB2 GLU A 79 13.212 2.233 3.808 1.00 60.52 H new ATOM 0 HB3 GLU A 79 14.048 3.561 3.027 1.00 60.52 H new ATOM 0 HG2 GLU A 79 14.274 2.847 5.984 1.00 61.32 H new ATOM 0 HG3 GLU A 79 15.434 2.404 4.747 1.00 61.32 H new ATOM 1167 N TRP A 80 10.468 3.110 5.273 1.00 63.51 N ATOM 1168 CA TRP A 80 9.619 2.693 6.372 1.00 54.11 C ATOM 1169 C TRP A 80 8.686 1.614 5.949 1.00 24.40 C ATOM 1170 O TRP A 80 8.217 1.573 4.817 1.00 61.42 O ATOM 1171 CB TRP A 80 8.867 3.926 6.922 1.00 72.25 C ATOM 1172 CG TRP A 80 7.992 3.703 8.101 1.00 1.30 C ATOM 1173 CD1 TRP A 80 6.638 3.623 8.099 1.00 44.42 C ATOM 1174 CD2 TRP A 80 8.397 3.585 9.461 1.00 15.12 C ATOM 1175 NE1 TRP A 80 6.179 3.477 9.370 1.00 14.21 N ATOM 1176 CE2 TRP A 80 7.231 3.448 10.224 1.00 3.21 C ATOM 1177 CE3 TRP A 80 9.633 3.589 10.110 1.00 21.10 C ATOM 1178 CZ2 TRP A 80 7.251 3.319 11.595 1.00 32.44 C ATOM 1179 CZ3 TRP A 80 9.650 3.462 11.480 1.00 62.41 C ATOM 1180 CH2 TRP A 80 8.460 3.330 12.204 1.00 74.53 C ATOM 0 H TRP A 80 10.102 2.892 4.346 1.00 63.51 H new ATOM 0 HA TRP A 80 10.233 2.274 7.170 1.00 54.11 H new ATOM 0 HB2 TRP A 80 9.604 4.685 7.184 1.00 72.25 H new ATOM 0 HB3 TRP A 80 8.257 4.338 6.119 1.00 72.25 H new ATOM 0 HD1 TRP A 80 6.016 3.669 7.217 1.00 44.42 H new ATOM 0 HE1 TRP A 80 5.198 3.401 9.639 1.00 14.21 H new ATOM 0 HE3 TRP A 80 10.552 3.689 9.551 1.00 21.10 H new ATOM 0 HZ2 TRP A 80 6.338 3.213 12.162 1.00 32.44 H new ATOM 0 HZ3 TRP A 80 10.595 3.464 12.004 1.00 62.41 H new ATOM 0 HH2 TRP A 80 8.507 3.234 13.279 1.00 74.53 H new ATOM 1191 N GLN A 81 8.506 0.717 6.833 1.00 44.30 N ATOM 1192 CA GLN A 81 7.565 -0.324 6.712 1.00 53.22 C ATOM 1193 C GLN A 81 6.251 0.192 7.283 1.00 23.53 C ATOM 1194 O GLN A 81 6.121 0.377 8.503 1.00 21.04 O ATOM 1195 CB GLN A 81 8.099 -1.542 7.477 1.00 42.15 C ATOM 1196 CG GLN A 81 7.064 -2.536 7.945 1.00 3.32 C ATOM 1197 CD GLN A 81 6.339 -3.336 6.855 1.00 13.34 C ATOM 1198 OE1 GLN A 81 6.141 -2.888 5.727 1.00 61.14 O ATOM 1199 NE2 GLN A 81 5.928 -4.528 7.202 1.00 11.35 N ATOM 0 H GLN A 81 9.035 0.685 7.704 1.00 44.30 H new ATOM 0 HA GLN A 81 7.400 -0.630 5.679 1.00 53.22 H new ATOM 0 HB2 GLN A 81 8.812 -2.063 6.838 1.00 42.15 H new ATOM 0 HB3 GLN A 81 8.651 -1.186 8.347 1.00 42.15 H new ATOM 0 HG2 GLN A 81 7.549 -3.241 8.620 1.00 3.32 H new ATOM 0 HG3 GLN A 81 6.316 -2.000 8.529 1.00 3.32 H new ATOM 0 HE21 GLN A 81 6.106 -4.874 8.145 1.00 11.35 H new ATOM 0 HE22 GLN A 81 5.429 -5.111 6.530 1.00 11.35 H new ATOM 1208 N LEU A 82 5.332 0.520 6.398 1.00 5.43 N ATOM 1209 CA LEU A 82 4.015 1.037 6.794 1.00 43.22 C ATOM 1210 C LEU A 82 3.277 0.072 7.724 1.00 0.32 C ATOM 1211 O LEU A 82 3.459 -1.150 7.651 1.00 63.01 O ATOM 1212 CB LEU A 82 3.140 1.286 5.568 1.00 24.12 C ATOM 1213 CG LEU A 82 3.663 2.290 4.555 1.00 11.54 C ATOM 1214 CD1 LEU A 82 2.720 2.405 3.379 1.00 51.20 C ATOM 1215 CD2 LEU A 82 3.820 3.630 5.204 1.00 14.54 C ATOM 0 H LEU A 82 5.464 0.441 5.390 1.00 5.43 H new ATOM 0 HA LEU A 82 4.197 1.972 7.324 1.00 43.22 H new ATOM 0 HB2 LEU A 82 2.988 0.335 5.058 1.00 24.12 H new ATOM 0 HB3 LEU A 82 2.162 1.624 5.910 1.00 24.12 H new ATOM 0 HG LEU A 82 4.631 1.942 4.194 1.00 11.54 H new ATOM 0 HD11 LEU A 82 3.114 3.129 2.666 1.00 51.20 H new ATOM 0 HD12 LEU A 82 2.623 1.434 2.894 1.00 51.20 H new ATOM 0 HD13 LEU A 82 1.742 2.735 3.728 1.00 51.20 H new ATOM 0 HD21 LEU A 82 4.195 4.346 4.473 1.00 14.54 H new ATOM 0 HD22 LEU A 82 2.854 3.968 5.580 1.00 14.54 H new ATOM 0 HD23 LEU A 82 4.525 3.553 6.032 1.00 14.54 H new ATOM 1227 N ALA A 83 2.445 0.620 8.573 1.00 73.30 N ATOM 1228 CA ALA A 83 1.652 -0.154 9.498 1.00 70.02 C ATOM 1229 C ALA A 83 0.243 0.416 9.528 1.00 33.43 C ATOM 1230 O ALA A 83 0.020 1.527 9.024 1.00 61.01 O ATOM 1231 CB ALA A 83 2.276 -0.120 10.887 1.00 4.32 C ATOM 0 H ALA A 83 2.297 1.627 8.643 1.00 73.30 H new ATOM 0 HA ALA A 83 1.616 -1.194 9.174 1.00 70.02 H new ATOM 0 HB1 ALA A 83 1.667 -0.708 11.574 1.00 4.32 H new ATOM 0 HB2 ALA A 83 3.282 -0.538 10.844 1.00 4.32 H new ATOM 0 HB3 ALA A 83 2.326 0.911 11.238 1.00 4.32 H new ATOM 1237 N ASP A 84 -0.709 -0.321 10.083 1.00 30.31 N ATOM 1238 CA ASP A 84 -2.089 0.164 10.150 1.00 63.44 C ATOM 1239 C ASP A 84 -2.205 1.268 11.175 1.00 73.02 C ATOM 1240 O ASP A 84 -2.072 1.040 12.382 1.00 72.22 O ATOM 1241 CB ASP A 84 -3.079 -0.963 10.477 1.00 50.41 C ATOM 1242 CG ASP A 84 -4.511 -0.470 10.578 1.00 42.10 C ATOM 1243 OD1 ASP A 84 -5.043 0.026 9.584 1.00 25.41 O ATOM 1244 OD2 ASP A 84 -5.135 -0.597 11.657 1.00 51.12 O ATOM 0 H ASP A 84 -0.560 -1.245 10.489 1.00 30.31 H new ATOM 0 HA ASP A 84 -2.346 0.554 9.165 1.00 63.44 H new ATOM 0 HB2 ASP A 84 -3.017 -1.731 9.707 1.00 50.41 H new ATOM 0 HB3 ASP A 84 -2.793 -1.432 11.419 1.00 50.41 H new ATOM 1249 N GLY A 85 -2.444 2.451 10.700 1.00 53.50 N ATOM 1250 CA GLY A 85 -2.537 3.588 11.553 1.00 1.13 C ATOM 1251 C GLY A 85 -1.272 4.410 11.535 1.00 45.23 C ATOM 1252 O GLY A 85 -1.006 5.178 12.476 1.00 64.54 O ATOM 0 H GLY A 85 -2.580 2.652 9.709 1.00 53.50 H new ATOM 0 HA2 GLY A 85 -3.377 4.208 11.241 1.00 1.13 H new ATOM 0 HA3 GLY A 85 -2.743 3.261 12.572 1.00 1.13 H new ATOM 1256 N ASP A 86 -0.453 4.242 10.506 1.00 42.25 N ATOM 1257 CA ASP A 86 0.769 5.025 10.428 1.00 70.41 C ATOM 1258 C ASP A 86 0.429 6.311 9.750 1.00 2.12 C ATOM 1259 O ASP A 86 -0.244 6.310 8.700 1.00 55.42 O ATOM 1260 CB ASP A 86 1.884 4.318 9.653 1.00 71.12 C ATOM 1261 CG ASP A 86 3.239 4.771 10.092 1.00 21.11 C ATOM 1262 OD1 ASP A 86 3.621 5.899 9.800 1.00 3.12 O ATOM 1263 OD2 ASP A 86 3.930 3.974 10.785 1.00 31.45 O ATOM 0 H ASP A 86 -0.606 3.591 9.736 1.00 42.25 H new ATOM 0 HA ASP A 86 1.148 5.180 11.438 1.00 70.41 H new ATOM 0 HB2 ASP A 86 1.798 3.241 9.794 1.00 71.12 H new ATOM 0 HB3 ASP A 86 1.764 4.511 8.587 1.00 71.12 H new ATOM 1268 N VAL A 87 0.811 7.395 10.342 1.00 12.15 N ATOM 1269 CA VAL A 87 0.500 8.674 9.778 1.00 24.33 C ATOM 1270 C VAL A 87 1.681 9.150 9.008 1.00 13.02 C ATOM 1271 O VAL A 87 2.724 9.461 9.575 1.00 30.11 O ATOM 1272 CB VAL A 87 0.101 9.737 10.839 1.00 24.24 C ATOM 1273 CG1 VAL A 87 -0.314 11.046 10.163 1.00 72.45 C ATOM 1274 CG2 VAL A 87 -1.025 9.219 11.716 1.00 45.24 C ATOM 0 H VAL A 87 1.338 7.424 11.215 1.00 12.15 H new ATOM 0 HA VAL A 87 -0.370 8.546 9.133 1.00 24.33 H new ATOM 0 HB VAL A 87 0.970 9.932 11.467 1.00 24.24 H new ATOM 0 HG11 VAL A 87 -0.590 11.777 10.923 1.00 72.45 H new ATOM 0 HG12 VAL A 87 0.518 11.431 9.574 1.00 72.45 H new ATOM 0 HG13 VAL A 87 -1.167 10.863 9.509 1.00 72.45 H new ATOM 0 HG21 VAL A 87 -1.291 9.977 12.453 1.00 45.24 H new ATOM 0 HG22 VAL A 87 -1.894 8.994 11.097 1.00 45.24 H new ATOM 0 HG23 VAL A 87 -0.700 8.313 12.228 1.00 45.24 H new ATOM 1284 N ILE A 88 1.523 9.228 7.748 1.00 51.43 N ATOM 1285 CA ILE A 88 2.565 9.643 6.893 1.00 23.05 C ATOM 1286 C ILE A 88 2.347 11.116 6.655 1.00 25.25 C ATOM 1287 O ILE A 88 1.399 11.515 5.976 1.00 72.30 O ATOM 1288 CB ILE A 88 2.497 8.884 5.549 1.00 63.14 C ATOM 1289 CG1 ILE A 88 2.466 7.356 5.758 1.00 54.42 C ATOM 1290 CG2 ILE A 88 3.624 9.291 4.615 1.00 64.31 C ATOM 1291 CD1 ILE A 88 3.673 6.781 6.463 1.00 35.32 C ATOM 0 H ILE A 88 0.651 9.002 7.269 1.00 51.43 H new ATOM 0 HA ILE A 88 3.540 9.442 7.336 1.00 23.05 H new ATOM 0 HB ILE A 88 1.559 9.167 5.071 1.00 63.14 H new ATOM 0 HG12 ILE A 88 1.574 7.101 6.331 1.00 54.42 H new ATOM 0 HG13 ILE A 88 2.369 6.874 4.785 1.00 54.42 H new ATOM 0 HG21 ILE A 88 3.541 8.735 3.681 1.00 64.31 H new ATOM 0 HG22 ILE A 88 3.558 10.359 4.409 1.00 64.31 H new ATOM 0 HG23 ILE A 88 4.583 9.071 5.084 1.00 64.31 H new ATOM 0 HD11 ILE A 88 3.557 5.702 6.562 1.00 35.32 H new ATOM 0 HD12 ILE A 88 4.570 6.998 5.883 1.00 35.32 H new ATOM 0 HD13 ILE A 88 3.764 7.229 7.453 1.00 35.32 H new ATOM 1303 N ARG A 89 3.157 11.919 7.251 1.00 22.53 N ATOM 1304 CA ARG A 89 2.992 13.310 7.140 1.00 22.22 C ATOM 1305 C ARG A 89 4.023 13.813 6.167 1.00 51.04 C ATOM 1306 O ARG A 89 5.224 13.843 6.456 1.00 5.14 O ATOM 1307 CB ARG A 89 3.101 13.949 8.518 1.00 21.12 C ATOM 1308 CG ARG A 89 2.614 15.369 8.590 1.00 12.11 C ATOM 1309 CD ARG A 89 2.533 15.827 10.027 1.00 71.23 C ATOM 1310 NE ARG A 89 1.814 17.093 10.155 1.00 31.40 N ATOM 1311 CZ ARG A 89 0.584 17.217 10.684 1.00 2.34 C ATOM 1312 NH1 ARG A 89 -0.079 16.134 11.115 1.00 11.14 N ATOM 1313 NH2 ARG A 89 0.022 18.417 10.778 1.00 54.24 N ATOM 0 H ARG A 89 3.947 11.624 7.825 1.00 22.53 H new ATOM 0 HA ARG A 89 2.006 13.576 6.760 1.00 22.22 H new ATOM 0 HB2 ARG A 89 2.534 13.348 9.229 1.00 21.12 H new ATOM 0 HB3 ARG A 89 4.143 13.920 8.836 1.00 21.12 H new ATOM 0 HG2 ARG A 89 3.287 16.020 8.032 1.00 12.11 H new ATOM 0 HG3 ARG A 89 1.633 15.448 8.121 1.00 12.11 H new ATOM 0 HD2 ARG A 89 2.034 15.064 10.624 1.00 71.23 H new ATOM 0 HD3 ARG A 89 3.540 15.939 10.430 1.00 71.23 H new ATOM 0 HE ARG A 89 2.276 17.939 9.821 1.00 31.40 H new ATOM 0 HH11 ARG A 89 0.350 15.211 11.042 1.00 11.14 H new ATOM 0 HH12 ARG A 89 -1.012 16.233 11.516 1.00 11.14 H new ATOM 0 HH21 ARG A 89 0.523 19.242 10.449 1.00 54.24 H new ATOM 0 HH22 ARG A 89 -0.911 18.513 11.179 1.00 54.24 H new ATOM 1327 N LEU A 90 3.558 14.145 5.015 1.00 1.13 N ATOM 1328 CA LEU A 90 4.389 14.543 3.909 1.00 44.01 C ATOM 1329 C LEU A 90 4.262 16.014 3.697 1.00 64.35 C ATOM 1330 O LEU A 90 3.379 16.618 4.268 1.00 22.50 O ATOM 1331 CB LEU A 90 4.137 13.706 2.612 1.00 21.30 C ATOM 1332 CG LEU A 90 2.772 13.753 1.880 1.00 34.43 C ATOM 1333 CD1 LEU A 90 2.851 12.867 0.652 1.00 71.30 C ATOM 1334 CD2 LEU A 90 1.609 13.282 2.752 1.00 52.33 C ATOM 0 H LEU A 90 2.561 14.151 4.799 1.00 1.13 H new ATOM 0 HA LEU A 90 5.426 14.323 4.165 1.00 44.01 H new ATOM 0 HB2 LEU A 90 4.897 14.003 1.889 1.00 21.30 H new ATOM 0 HB3 LEU A 90 4.327 12.663 2.864 1.00 21.30 H new ATOM 0 HG LEU A 90 2.578 14.793 1.617 1.00 34.43 H new ATOM 0 HD11 LEU A 90 1.897 12.889 0.125 1.00 71.30 H new ATOM 0 HD12 LEU A 90 3.639 13.230 -0.008 1.00 71.30 H new ATOM 0 HD13 LEU A 90 3.074 11.844 0.955 1.00 71.30 H new ATOM 0 HD21 LEU A 90 0.681 13.339 2.183 1.00 52.33 H new ATOM 0 HD22 LEU A 90 1.782 12.252 3.063 1.00 52.33 H new ATOM 0 HD23 LEU A 90 1.533 13.919 3.633 1.00 52.33 H new ATOM 1346 N GLY A 91 5.179 16.586 2.958 1.00 63.01 N ATOM 1347 CA GLY A 91 5.244 18.024 2.746 1.00 0.44 C ATOM 1348 C GLY A 91 3.906 18.727 2.518 1.00 44.21 C ATOM 1349 O GLY A 91 3.333 18.659 1.425 1.00 40.04 O ATOM 0 H GLY A 91 5.914 16.067 2.478 1.00 63.01 H new ATOM 0 HA2 GLY A 91 5.728 18.478 3.611 1.00 0.44 H new ATOM 0 HA3 GLY A 91 5.885 18.216 1.885 1.00 0.44 H new ATOM 1353 N HIS A 92 3.421 19.368 3.595 1.00 54.24 N ATOM 1354 CA HIS A 92 2.191 20.187 3.631 1.00 44.15 C ATOM 1355 C HIS A 92 0.899 19.353 3.605 1.00 63.51 C ATOM 1356 O HIS A 92 -0.193 19.894 3.371 1.00 70.10 O ATOM 1357 CB HIS A 92 2.169 21.258 2.519 1.00 53.13 C ATOM 1358 CG HIS A 92 3.321 22.224 2.551 1.00 43.52 C ATOM 1359 ND1 HIS A 92 4.172 22.438 1.486 1.00 1.43 N ATOM 1360 CD2 HIS A 92 3.745 23.055 3.534 1.00 22.41 C ATOM 1361 CE1 HIS A 92 5.061 23.356 1.841 1.00 63.12 C ATOM 1362 NE2 HIS A 92 4.852 23.771 3.077 1.00 23.04 N ATOM 0 H HIS A 92 3.890 19.330 4.500 1.00 54.24 H new ATOM 0 HA HIS A 92 2.219 20.696 4.594 1.00 44.15 H new ATOM 0 HB2 HIS A 92 2.160 20.757 1.551 1.00 53.13 H new ATOM 0 HB3 HIS A 92 1.239 21.821 2.595 1.00 53.13 H new ATOM 0 HD1 HIS A 92 4.125 21.970 0.581 1.00 1.43 H new ATOM 0 HD2 HIS A 92 3.298 23.148 4.513 1.00 22.41 H new ATOM 0 HE1 HIS A 92 5.853 23.717 1.202 1.00 63.12 H new ATOM 1370 N SER A 93 1.000 18.068 3.874 1.00 11.14 N ATOM 1371 CA SER A 93 -0.169 17.216 3.909 1.00 11.24 C ATOM 1372 C SER A 93 0.068 16.034 4.883 1.00 70.22 C ATOM 1373 O SER A 93 1.147 15.902 5.468 1.00 33.13 O ATOM 1374 CB SER A 93 -0.498 16.725 2.480 1.00 51.44 C ATOM 1375 OG SER A 93 -1.752 16.056 2.420 1.00 15.15 O ATOM 0 H SER A 93 1.880 17.591 4.072 1.00 11.14 H new ATOM 0 HA SER A 93 -1.027 17.780 4.276 1.00 11.24 H new ATOM 0 HB2 SER A 93 -0.508 17.575 1.798 1.00 51.44 H new ATOM 0 HB3 SER A 93 0.288 16.052 2.138 1.00 51.44 H new ATOM 0 HG SER A 93 -1.923 15.763 1.500 1.00 15.15 H new ATOM 1381 N GLU A 94 -0.925 15.213 5.074 1.00 54.34 N ATOM 1382 CA GLU A 94 -0.826 14.069 5.946 1.00 2.24 C ATOM 1383 C GLU A 94 -1.774 13.007 5.443 1.00 65.42 C ATOM 1384 O GLU A 94 -2.837 13.330 4.899 1.00 12.34 O ATOM 1385 CB GLU A 94 -1.121 14.463 7.409 1.00 75.34 C ATOM 1386 CG GLU A 94 -2.522 14.993 7.655 1.00 20.24 C ATOM 1387 CD GLU A 94 -2.678 15.593 9.026 1.00 23.50 C ATOM 1388 OE1 GLU A 94 -2.608 14.865 10.034 1.00 72.42 O ATOM 1389 OE2 GLU A 94 -2.861 16.826 9.117 1.00 30.20 O ATOM 0 H GLU A 94 -1.836 15.317 4.627 1.00 54.34 H new ATOM 0 HA GLU A 94 0.190 13.674 5.935 1.00 2.24 H new ATOM 0 HB2 GLU A 94 -0.960 13.592 8.045 1.00 75.34 H new ATOM 0 HB3 GLU A 94 -0.401 15.221 7.719 1.00 75.34 H new ATOM 0 HG2 GLU A 94 -2.760 15.746 6.903 1.00 20.24 H new ATOM 0 HG3 GLU A 94 -3.240 14.182 7.533 1.00 20.24 H new ATOM 1396 N ILE A 95 -1.389 11.775 5.567 1.00 34.13 N ATOM 1397 CA ILE A 95 -2.199 10.690 5.105 1.00 4.34 C ATOM 1398 C ILE A 95 -2.114 9.540 6.121 1.00 11.53 C ATOM 1399 O ILE A 95 -1.048 9.298 6.700 1.00 53.25 O ATOM 1400 CB ILE A 95 -1.738 10.236 3.671 1.00 23.11 C ATOM 1401 CG1 ILE A 95 -2.712 9.263 3.059 1.00 25.31 C ATOM 1402 CG2 ILE A 95 -0.334 9.660 3.657 1.00 71.50 C ATOM 1403 CD1 ILE A 95 -4.019 9.898 2.690 1.00 61.32 C ATOM 0 H ILE A 95 -0.505 11.493 5.991 1.00 34.13 H new ATOM 0 HA ILE A 95 -3.239 11.007 5.023 1.00 4.34 H new ATOM 0 HB ILE A 95 -1.720 11.140 3.062 1.00 23.11 H new ATOM 0 HG12 ILE A 95 -2.265 8.821 2.169 1.00 25.31 H new ATOM 0 HG13 ILE A 95 -2.895 8.450 3.761 1.00 25.31 H new ATOM 0 HG21 ILE A 95 -0.072 9.365 2.641 1.00 71.50 H new ATOM 0 HG22 ILE A 95 0.371 10.412 4.010 1.00 71.50 H new ATOM 0 HG23 ILE A 95 -0.292 8.789 4.310 1.00 71.50 H new ATOM 0 HD11 ILE A 95 -4.678 9.147 2.254 1.00 61.32 H new ATOM 0 HD12 ILE A 95 -4.485 10.316 3.582 1.00 61.32 H new ATOM 0 HD13 ILE A 95 -3.845 10.693 1.965 1.00 61.32 H new ATOM 1415 N ILE A 96 -3.219 8.866 6.382 1.00 43.41 N ATOM 1416 CA ILE A 96 -3.210 7.792 7.350 1.00 53.33 C ATOM 1417 C ILE A 96 -3.247 6.464 6.614 1.00 44.30 C ATOM 1418 O ILE A 96 -4.186 6.185 5.893 1.00 43.34 O ATOM 1419 CB ILE A 96 -4.434 7.878 8.307 1.00 1.00 C ATOM 1420 CG1 ILE A 96 -4.530 9.280 8.935 1.00 22.34 C ATOM 1421 CG2 ILE A 96 -4.317 6.818 9.408 1.00 73.24 C ATOM 1422 CD1 ILE A 96 -5.774 9.496 9.775 1.00 11.22 C ATOM 0 H ILE A 96 -4.122 9.042 5.942 1.00 43.41 H new ATOM 0 HA ILE A 96 -2.303 7.877 7.948 1.00 53.33 H new ATOM 0 HB ILE A 96 -5.339 7.693 7.729 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -3.651 9.449 9.556 1.00 22.34 H new ATOM 0 HG13 ILE A 96 -4.507 10.025 8.140 1.00 22.34 H new ATOM 0 HG21 ILE A 96 -5.178 6.887 10.072 1.00 73.24 H new ATOM 0 HG22 ILE A 96 -4.285 5.826 8.956 1.00 73.24 H new ATOM 0 HG23 ILE A 96 -3.404 6.986 9.979 1.00 73.24 H new ATOM 0 HD11 ILE A 96 -5.767 10.507 10.182 1.00 11.22 H new ATOM 0 HD12 ILE A 96 -6.660 9.360 9.155 1.00 11.22 H new ATOM 0 HD13 ILE A 96 -5.790 8.776 10.593 1.00 11.22 H new ATOM 1434 N VAL A 97 -2.231 5.675 6.765 1.00 15.25 N ATOM 1435 CA VAL A 97 -2.172 4.387 6.110 1.00 64.24 C ATOM 1436 C VAL A 97 -2.905 3.348 6.926 1.00 24.34 C ATOM 1437 O VAL A 97 -2.598 3.150 8.090 1.00 32.20 O ATOM 1438 CB VAL A 97 -0.706 3.944 5.888 1.00 44.33 C ATOM 1439 CG1 VAL A 97 -0.639 2.517 5.372 1.00 2.34 C ATOM 1440 CG2 VAL A 97 -0.044 4.870 4.898 1.00 0.14 C ATOM 0 H VAL A 97 -1.418 5.895 7.341 1.00 15.25 H new ATOM 0 HA VAL A 97 -2.654 4.482 5.137 1.00 64.24 H new ATOM 0 HB VAL A 97 -0.185 3.988 6.844 1.00 44.33 H new ATOM 0 HG11 VAL A 97 0.403 2.232 5.225 1.00 2.34 H new ATOM 0 HG12 VAL A 97 -1.100 1.846 6.097 1.00 2.34 H new ATOM 0 HG13 VAL A 97 -1.172 2.448 4.423 1.00 2.34 H new ATOM 0 HG21 VAL A 97 0.989 4.558 4.742 1.00 0.14 H new ATOM 0 HG22 VAL A 97 -0.581 4.834 3.950 1.00 0.14 H new ATOM 0 HG23 VAL A 97 -0.060 5.889 5.285 1.00 0.14 H new ATOM 1450 N ARG A 98 -3.887 2.717 6.336 1.00 22.35 N ATOM 1451 CA ARG A 98 -4.615 1.677 6.998 1.00 2.31 C ATOM 1452 C ARG A 98 -4.395 0.379 6.277 1.00 24.43 C ATOM 1453 O ARG A 98 -4.131 0.357 5.074 1.00 33.44 O ATOM 1454 CB ARG A 98 -6.116 1.966 7.057 1.00 3.04 C ATOM 1455 CG ARG A 98 -6.499 3.294 7.680 1.00 34.44 C ATOM 1456 CD ARG A 98 -5.903 3.506 9.070 1.00 51.53 C ATOM 1457 NE ARG A 98 -6.189 2.417 10.010 1.00 72.12 N ATOM 1458 CZ ARG A 98 -6.807 2.557 11.188 1.00 20.01 C ATOM 1459 NH1 ARG A 98 -7.425 3.704 11.503 1.00 5.33 N ATOM 1460 NH2 ARG A 98 -6.819 1.545 12.049 1.00 33.31 N ATOM 0 H ARG A 98 -4.201 2.912 5.385 1.00 22.35 H new ATOM 0 HA ARG A 98 -4.246 1.620 8.022 1.00 2.31 H new ATOM 0 HB2 ARG A 98 -6.516 1.931 6.043 1.00 3.04 H new ATOM 0 HB3 ARG A 98 -6.601 1.167 7.619 1.00 3.04 H new ATOM 0 HG2 ARG A 98 -6.172 4.102 7.025 1.00 34.44 H new ATOM 0 HG3 ARG A 98 -7.585 3.357 7.745 1.00 34.44 H new ATOM 0 HD2 ARG A 98 -4.823 3.620 8.978 1.00 51.53 H new ATOM 0 HD3 ARG A 98 -6.288 4.439 9.482 1.00 51.53 H new ATOM 0 HE ARG A 98 -5.893 1.478 9.744 1.00 72.12 H new ATOM 0 HH11 ARG A 98 -7.427 4.481 10.842 1.00 5.33 H new ATOM 0 HH12 ARG A 98 -7.893 3.800 12.404 1.00 5.33 H new ATOM 0 HH21 ARG A 98 -6.358 0.667 11.810 1.00 33.31 H new ATOM 0 HH22 ARG A 98 -7.289 1.646 12.949 1.00 33.31 H new ATOM 1474 N MET A 99 -4.477 -0.676 6.998 1.00 34.11 N ATOM 1475 CA MET A 99 -4.340 -1.992 6.439 1.00 41.15 C ATOM 1476 C MET A 99 -5.566 -2.784 6.730 1.00 11.24 C ATOM 1477 O MET A 99 -5.914 -3.025 7.883 1.00 63.23 O ATOM 1478 CB MET A 99 -3.089 -2.734 6.915 1.00 40.10 C ATOM 1479 CG MET A 99 -1.789 -2.122 6.434 1.00 44.11 C ATOM 1480 SD MET A 99 -0.352 -3.128 6.839 1.00 3.41 S ATOM 1481 CE MET A 99 0.934 -2.220 5.989 1.00 15.23 C ATOM 0 H MET A 99 -4.643 -0.664 8.004 1.00 34.11 H new ATOM 0 HA MET A 99 -4.218 -1.871 5.363 1.00 41.15 H new ATOM 0 HB2 MET A 99 -3.086 -2.758 8.005 1.00 40.10 H new ATOM 0 HB3 MET A 99 -3.140 -3.768 6.573 1.00 40.10 H new ATOM 0 HG2 MET A 99 -1.836 -1.982 5.354 1.00 44.11 H new ATOM 0 HG3 MET A 99 -1.672 -1.134 6.878 1.00 44.11 H new ATOM 0 HE1 MET A 99 1.892 -2.717 6.142 1.00 15.23 H new ATOM 0 HE2 MET A 99 0.710 -2.184 4.923 1.00 15.23 H new ATOM 0 HE3 MET A 99 0.984 -1.205 6.383 1.00 15.23 H new ATOM 1491 N HIS A 100 -6.223 -3.151 5.701 1.00 22.42 N ATOM 1492 CA HIS A 100 -7.433 -3.887 5.761 1.00 60.22 C ATOM 1493 C HIS A 100 -7.116 -5.328 5.480 1.00 64.21 C ATOM 1494 O HIS A 100 -7.269 -6.163 6.392 1.00 51.32 O ATOM 1495 CB HIS A 100 -8.466 -3.339 4.755 1.00 1.13 C ATOM 1496 CG HIS A 100 -8.902 -1.921 5.019 1.00 13.21 C ATOM 1497 ND1 HIS A 100 -10.100 -1.581 5.607 1.00 12.12 N ATOM 1498 CD2 HIS A 100 -8.283 -0.748 4.736 1.00 51.13 C ATOM 1499 CE1 HIS A 100 -10.174 -0.248 5.661 1.00 50.52 C ATOM 1500 NE2 HIS A 100 -9.090 0.309 5.144 1.00 74.20 N ATOM 1501 OXT HIS A 100 -6.641 -5.631 4.378 1.00 36.42 O ATOM 0 H HIS A 100 -5.924 -2.940 4.749 1.00 22.42 H new ATOM 0 HA HIS A 100 -7.877 -3.792 6.752 1.00 60.22 H new ATOM 0 HB2 HIS A 100 -8.043 -3.395 3.752 1.00 1.13 H new ATOM 0 HB3 HIS A 100 -9.344 -3.984 4.767 1.00 1.13 H new ATOM 0 HD2 HIS A 100 -7.315 -0.650 4.267 1.00 51.13 H new ATOM 0 HE1 HIS A 100 -11.008 0.302 6.072 1.00 50.52 H new ATOM 0 HE2 HIS A 100 -8.889 1.306 5.062 1.00 74.20 H new