USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 798 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot -101:sc= -0.148 USER MOD Single : A 14 ASN : amide:sc= 0.53 K(o=0.53,f=-3.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.5) USER MOD Single : A 32 THR OG1 : rot -64:sc= 0.18 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.038) USER MOD Single : A 46 ASN : amide:sc= -0.125 X(o=-0.13,f=-0.031) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.464 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.7!) USER MOD Single : A 59 THR OG1 : rot 180:sc=-0.00693 USER MOD Single : A 66 THR OG1 : rot -47:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= -0.0124 K(o=-0.012,f=-11!) USER MOD Single : A 70 ASN : amide:sc= -0.0798 K(o=-0.08,f=-8.3!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0.158 USER MOD Single : A 79 GLN : amide:sc= -0.0153 X(o=-0.015,f=-0.4) USER MOD Single : A 84 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.1) USER MOD Single : A 93 HIS : no HD1:sc= 0.27 K(o=0.27,f=-1.6!) USER MOD Single : A 94 HIS : no HE2:sc= 0.00762 K(o=0.0076,f=-2) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.15) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.869 38.963 -15.997 1.00 10.32 N ATOM 2 CA GLY A 1 8.772 37.964 -16.156 1.00 71.22 C ATOM 3 C GLY A 1 8.268 37.413 -14.826 1.00 3.45 C ATOM 4 O GLY A 1 8.269 36.203 -14.603 1.00 72.34 O ATOM 0 H1 GLY A 1 10.169 39.301 -16.934 1.00 10.32 H new ATOM 0 H2 GLY A 1 9.527 39.767 -15.432 1.00 10.32 H new ATOM 0 H3 GLY A 1 10.676 38.519 -15.514 1.00 10.32 H new ATOM 0 HA2 GLY A 1 7.941 38.427 -16.689 1.00 71.22 H new ATOM 0 HA3 GLY A 1 9.127 37.139 -16.773 1.00 71.22 H new ATOM 10 N ASP A 2 7.817 38.301 -13.943 1.00 54.15 N ATOM 11 CA ASP A 2 7.350 37.904 -12.606 1.00 1.44 C ATOM 12 C ASP A 2 5.817 37.731 -12.570 1.00 13.03 C ATOM 13 O ASP A 2 5.180 37.899 -11.528 1.00 72.21 O ATOM 14 CB ASP A 2 7.790 38.954 -11.579 1.00 21.24 C ATOM 15 CG ASP A 2 9.295 39.159 -11.584 1.00 33.40 C ATOM 16 OD1 ASP A 2 10.006 38.435 -10.853 1.00 22.53 O ATOM 17 OD2 ASP A 2 9.779 40.041 -12.324 1.00 20.34 O ATOM 0 H ASP A 2 7.763 39.303 -14.125 1.00 54.15 H new ATOM 0 HA ASP A 2 7.795 36.940 -12.359 1.00 1.44 H new ATOM 0 HB2 ASP A 2 7.294 39.901 -11.793 1.00 21.24 H new ATOM 0 HB3 ASP A 2 7.470 38.645 -10.584 1.00 21.24 H new ATOM 22 N ARG A 3 5.234 37.359 -13.708 1.00 31.02 N ATOM 23 CA ARG A 3 3.777 37.244 -13.832 1.00 13.03 C ATOM 24 C ARG A 3 3.270 35.853 -13.419 1.00 52.34 C ATOM 25 O ARG A 3 3.215 34.931 -14.237 1.00 73.35 O ATOM 26 CB ARG A 3 3.345 37.551 -15.277 1.00 14.55 C ATOM 27 CG ARG A 3 3.836 38.898 -15.804 1.00 1.22 C ATOM 28 CD ARG A 3 3.306 40.067 -14.977 1.00 12.12 C ATOM 29 NE ARG A 3 1.847 40.146 -15.008 1.00 3.00 N ATOM 30 CZ ARG A 3 1.161 41.224 -14.744 1.00 63.25 C ATOM 31 NH1 ARG A 3 1.761 42.336 -14.466 1.00 3.23 N ATOM 32 NH2 ARG A 3 -0.130 41.189 -14.776 1.00 62.14 N ATOM 0 H ARG A 3 5.747 37.131 -14.560 1.00 31.02 H new ATOM 0 HA ARG A 3 3.333 37.972 -13.153 1.00 13.03 H new ATOM 0 HB2 ARG A 3 3.715 36.761 -15.931 1.00 14.55 H new ATOM 0 HB3 ARG A 3 2.257 37.527 -15.332 1.00 14.55 H new ATOM 0 HG2 ARG A 3 4.926 38.914 -15.796 1.00 1.22 H new ATOM 0 HG3 ARG A 3 3.523 39.017 -16.841 1.00 1.22 H new ATOM 0 HD2 ARG A 3 3.641 39.962 -13.945 1.00 12.12 H new ATOM 0 HD3 ARG A 3 3.727 40.998 -15.355 1.00 12.12 H new ATOM 0 HE ARG A 3 1.330 39.301 -15.253 1.00 3.00 H new ATOM 0 HH11 ARG A 3 2.780 42.376 -14.452 1.00 3.23 H new ATOM 0 HH12 ARG A 3 1.215 43.173 -14.261 1.00 3.23 H new ATOM 0 HH21 ARG A 3 -0.611 40.320 -15.007 1.00 62.14 H new ATOM 0 HH22 ARG A 3 -0.668 42.031 -14.570 1.00 62.14 H new ATOM 46 N ARG A 4 2.917 35.699 -12.142 1.00 13.23 N ATOM 47 CA ARG A 4 2.292 34.458 -11.660 1.00 44.33 C ATOM 48 C ARG A 4 0.759 34.547 -11.796 1.00 44.21 C ATOM 49 O ARG A 4 0.081 35.189 -10.992 1.00 21.30 O ATOM 50 CB ARG A 4 2.697 34.135 -10.202 1.00 51.23 C ATOM 51 CG ARG A 4 2.470 35.265 -9.191 1.00 50.02 C ATOM 52 CD ARG A 4 3.615 36.272 -9.176 1.00 4.51 C ATOM 53 NE ARG A 4 3.342 37.396 -8.283 1.00 35.53 N ATOM 54 CZ ARG A 4 4.246 38.231 -7.848 1.00 64.21 C ATOM 55 NH1 ARG A 4 5.492 38.096 -8.169 1.00 15.12 N ATOM 56 NH2 ARG A 4 3.898 39.206 -7.078 1.00 33.13 N ATOM 0 H ARG A 4 3.050 36.411 -11.424 1.00 13.23 H new ATOM 0 HA ARG A 4 2.655 33.640 -12.282 1.00 44.33 H new ATOM 0 HB2 ARG A 4 2.138 33.259 -9.873 1.00 51.23 H new ATOM 0 HB3 ARG A 4 3.753 33.864 -10.188 1.00 51.23 H new ATOM 0 HG2 ARG A 4 1.540 35.781 -9.430 1.00 50.02 H new ATOM 0 HG3 ARG A 4 2.352 34.839 -8.195 1.00 50.02 H new ATOM 0 HD2 ARG A 4 4.532 35.774 -8.862 1.00 4.51 H new ATOM 0 HD3 ARG A 4 3.784 36.644 -10.186 1.00 4.51 H new ATOM 0 HE ARG A 4 2.379 37.538 -7.979 1.00 35.53 H new ATOM 0 HH11 ARG A 4 5.783 37.327 -8.772 1.00 15.12 H new ATOM 0 HH12 ARG A 4 6.184 38.759 -7.819 1.00 15.12 H new ATOM 0 HH21 ARG A 4 2.920 39.322 -6.812 1.00 33.13 H new ATOM 0 HH22 ARG A 4 4.601 39.861 -6.735 1.00 33.13 H new ATOM 70 N VAL A 5 0.218 33.900 -12.828 1.00 52.34 N ATOM 71 CA VAL A 5 -1.206 34.038 -13.175 1.00 0.11 C ATOM 72 C VAL A 5 -2.087 32.917 -12.589 1.00 52.32 C ATOM 73 O VAL A 5 -3.275 32.831 -12.903 1.00 23.33 O ATOM 74 CB VAL A 5 -1.394 34.073 -14.715 1.00 21.13 C ATOM 75 CG1 VAL A 5 -0.650 35.259 -15.328 1.00 0.10 C ATOM 76 CG2 VAL A 5 -0.934 32.758 -15.349 1.00 11.15 C ATOM 0 H VAL A 5 0.740 33.274 -13.441 1.00 52.34 H new ATOM 0 HA VAL A 5 -1.530 34.979 -12.731 1.00 0.11 H new ATOM 0 HB VAL A 5 -2.457 34.197 -14.922 1.00 21.13 H new ATOM 0 HG11 VAL A 5 -0.797 35.262 -16.408 1.00 0.10 H new ATOM 0 HG12 VAL A 5 -1.036 36.187 -14.907 1.00 0.10 H new ATOM 0 HG13 VAL A 5 0.414 35.175 -15.107 1.00 0.10 H new ATOM 0 HG21 VAL A 5 -1.075 32.806 -16.429 1.00 11.15 H new ATOM 0 HG22 VAL A 5 0.121 32.597 -15.128 1.00 11.15 H new ATOM 0 HG23 VAL A 5 -1.520 31.934 -14.943 1.00 11.15 H new ATOM 86 N ARG A 6 -1.526 32.072 -11.731 1.00 71.32 N ATOM 87 CA ARG A 6 -2.294 30.960 -11.154 1.00 13.21 C ATOM 88 C ARG A 6 -3.212 31.420 -10.007 1.00 24.24 C ATOM 89 O ARG A 6 -2.864 31.319 -8.828 1.00 43.20 O ATOM 90 CB ARG A 6 -1.361 29.837 -10.683 1.00 73.44 C ATOM 91 CG ARG A 6 -0.706 29.067 -11.827 1.00 35.24 C ATOM 92 CD ARG A 6 0.179 27.937 -11.316 1.00 72.20 C ATOM 93 NE ARG A 6 0.669 27.090 -12.402 1.00 2.31 N ATOM 94 CZ ARG A 6 1.837 26.510 -12.416 1.00 20.34 C ATOM 95 NH1 ARG A 6 2.698 26.738 -11.478 1.00 0.30 N ATOM 96 NH2 ARG A 6 2.152 25.714 -13.382 1.00 71.50 N ATOM 0 H ARG A 6 -0.556 32.128 -11.419 1.00 71.32 H new ATOM 0 HA ARG A 6 -2.935 30.572 -11.945 1.00 13.21 H new ATOM 0 HB2 ARG A 6 -0.582 30.264 -10.051 1.00 73.44 H new ATOM 0 HB3 ARG A 6 -1.927 29.141 -10.065 1.00 73.44 H new ATOM 0 HG2 ARG A 6 -1.478 28.658 -12.478 1.00 35.24 H new ATOM 0 HG3 ARG A 6 -0.110 29.751 -12.431 1.00 35.24 H new ATOM 0 HD2 ARG A 6 1.026 28.357 -10.774 1.00 72.20 H new ATOM 0 HD3 ARG A 6 -0.383 27.329 -10.607 1.00 72.20 H new ATOM 0 HE ARG A 6 0.056 26.943 -13.203 1.00 2.31 H new ATOM 0 HH11 ARG A 6 2.466 27.377 -10.717 1.00 0.30 H new ATOM 0 HH12 ARG A 6 3.609 26.279 -11.499 1.00 0.30 H new ATOM 0 HH21 ARG A 6 1.487 25.538 -14.135 1.00 71.50 H new ATOM 0 HH22 ARG A 6 3.066 25.261 -13.392 1.00 71.50 H new ATOM 110 N LEU A 7 -4.382 31.946 -10.370 1.00 24.12 N ATOM 111 CA LEU A 7 -5.397 32.360 -9.389 1.00 44.00 C ATOM 112 C LEU A 7 -6.426 31.237 -9.155 1.00 25.01 C ATOM 113 O LEU A 7 -7.014 31.128 -8.076 1.00 73.33 O ATOM 114 CB LEU A 7 -6.102 33.637 -9.878 1.00 64.24 C ATOM 115 CG LEU A 7 -7.109 34.262 -8.894 1.00 21.33 C ATOM 116 CD1 LEU A 7 -6.421 34.664 -7.590 1.00 11.43 C ATOM 117 CD2 LEU A 7 -7.811 35.458 -9.530 1.00 24.21 C ATOM 0 H LEU A 7 -4.655 32.098 -11.341 1.00 24.12 H new ATOM 0 HA LEU A 7 -4.901 32.565 -8.441 1.00 44.00 H new ATOM 0 HB2 LEU A 7 -5.342 34.382 -10.114 1.00 64.24 H new ATOM 0 HB3 LEU A 7 -6.624 33.409 -10.807 1.00 64.24 H new ATOM 0 HG LEU A 7 -7.863 33.511 -8.657 1.00 21.33 H new ATOM 0 HD11 LEU A 7 -7.153 35.103 -6.912 1.00 11.43 H new ATOM 0 HD12 LEU A 7 -5.979 33.783 -7.125 1.00 11.43 H new ATOM 0 HD13 LEU A 7 -5.639 35.394 -7.801 1.00 11.43 H new ATOM 0 HD21 LEU A 7 -8.518 35.885 -8.819 1.00 24.21 H new ATOM 0 HD22 LEU A 7 -7.072 36.211 -9.803 1.00 24.21 H new ATOM 0 HD23 LEU A 7 -8.346 35.134 -10.423 1.00 24.21 H new ATOM 129 N ILE A 8 -6.628 30.403 -10.174 1.00 1.30 N ATOM 130 CA ILE A 8 -7.571 29.279 -10.097 1.00 64.13 C ATOM 131 C ILE A 8 -6.983 28.108 -9.276 1.00 61.04 C ATOM 132 O ILE A 8 -5.764 27.996 -9.127 1.00 11.32 O ATOM 133 CB ILE A 8 -7.940 28.788 -11.524 1.00 71.44 C ATOM 134 CG1 ILE A 8 -9.163 27.854 -11.496 1.00 13.35 C ATOM 135 CG2 ILE A 8 -6.747 28.100 -12.190 1.00 24.42 C ATOM 136 CD1 ILE A 8 -10.447 28.547 -11.083 1.00 63.31 C ATOM 0 H ILE A 8 -6.149 30.483 -11.071 1.00 1.30 H new ATOM 0 HA ILE A 8 -8.470 29.632 -9.593 1.00 64.13 H new ATOM 0 HB ILE A 8 -8.203 29.664 -12.117 1.00 71.44 H new ATOM 0 HG12 ILE A 8 -9.298 27.416 -12.485 1.00 13.35 H new ATOM 0 HG13 ILE A 8 -8.966 27.032 -10.808 1.00 13.35 H new ATOM 0 HG21 ILE A 8 -7.031 27.765 -13.188 1.00 24.42 H new ATOM 0 HG22 ILE A 8 -5.917 28.803 -12.265 1.00 24.42 H new ATOM 0 HG23 ILE A 8 -6.442 27.241 -11.592 1.00 24.42 H new ATOM 0 HD11 ILE A 8 -11.266 27.828 -11.086 1.00 63.31 H new ATOM 0 HD12 ILE A 8 -10.331 28.961 -10.081 1.00 63.31 H new ATOM 0 HD13 ILE A 8 -10.668 29.351 -11.785 1.00 63.31 H new ATOM 148 N ARG A 9 -7.845 27.239 -8.742 1.00 34.04 N ATOM 149 CA ARG A 9 -7.386 26.079 -7.960 1.00 71.31 C ATOM 150 C ARG A 9 -8.182 24.807 -8.309 1.00 74.10 C ATOM 151 O ARG A 9 -9.234 24.876 -8.944 1.00 64.24 O ATOM 152 CB ARG A 9 -7.448 26.364 -6.442 1.00 41.45 C ATOM 153 CG ARG A 9 -8.832 26.732 -5.891 1.00 55.52 C ATOM 154 CD ARG A 9 -9.237 28.164 -6.235 1.00 43.21 C ATOM 155 NE ARG A 9 -10.454 28.578 -5.537 1.00 0.12 N ATOM 156 CZ ARG A 9 -11.495 29.113 -6.120 1.00 53.23 C ATOM 157 NH1 ARG A 9 -11.540 29.231 -7.409 1.00 42.31 N ATOM 158 NH2 ARG A 9 -12.507 29.495 -5.416 1.00 25.43 N ATOM 0 H ARG A 9 -8.858 27.312 -8.833 1.00 34.04 H new ATOM 0 HA ARG A 9 -6.344 25.903 -8.229 1.00 71.31 H new ATOM 0 HB2 ARG A 9 -7.088 25.483 -5.910 1.00 41.45 H new ATOM 0 HB3 ARG A 9 -6.759 27.177 -6.215 1.00 41.45 H new ATOM 0 HG2 ARG A 9 -9.574 26.042 -6.292 1.00 55.52 H new ATOM 0 HG3 ARG A 9 -8.833 26.608 -4.808 1.00 55.52 H new ATOM 0 HD2 ARG A 9 -8.424 28.842 -5.976 1.00 43.21 H new ATOM 0 HD3 ARG A 9 -9.391 28.247 -7.311 1.00 43.21 H new ATOM 0 HE ARG A 9 -10.493 28.440 -4.527 1.00 0.12 H new ATOM 0 HH11 ARG A 9 -10.759 28.905 -7.979 1.00 42.31 H new ATOM 0 HH12 ARG A 9 -12.356 29.650 -7.855 1.00 42.31 H new ATOM 0 HH21 ARG A 9 -12.496 29.380 -4.403 1.00 25.43 H new ATOM 0 HH22 ARG A 9 -13.318 29.912 -5.873 1.00 25.43 H new ATOM 172 N THR A 10 -7.676 23.646 -7.884 1.00 71.21 N ATOM 173 CA THR A 10 -8.287 22.348 -8.239 1.00 52.25 C ATOM 174 C THR A 10 -8.624 21.497 -7.003 1.00 20.21 C ATOM 175 O THR A 10 -8.336 21.884 -5.869 1.00 73.12 O ATOM 176 CB THR A 10 -7.359 21.526 -9.172 1.00 10.52 C ATOM 177 OG1 THR A 10 -8.003 20.303 -9.571 1.00 20.00 O ATOM 178 CG2 THR A 10 -6.036 21.202 -8.486 1.00 34.02 C ATOM 0 H THR A 10 -6.847 23.571 -7.295 1.00 71.21 H new ATOM 0 HA THR A 10 -9.215 22.588 -8.757 1.00 52.25 H new ATOM 0 HB THR A 10 -7.156 22.133 -10.054 1.00 10.52 H new ATOM 0 HG1 THR A 10 -7.654 19.560 -9.036 1.00 20.00 H new ATOM 0 HG21 THR A 10 -5.406 20.625 -9.164 1.00 34.02 H new ATOM 0 HG22 THR A 10 -5.528 22.129 -8.219 1.00 34.02 H new ATOM 0 HG23 THR A 10 -6.227 20.620 -7.584 1.00 34.02 H new ATOM 186 N ARG A 11 -9.229 20.331 -7.240 1.00 74.35 N ATOM 187 CA ARG A 11 -9.656 19.425 -6.166 1.00 21.25 C ATOM 188 C ARG A 11 -10.070 18.058 -6.742 1.00 32.11 C ATOM 189 O ARG A 11 -10.589 17.979 -7.859 1.00 23.55 O ATOM 190 CB ARG A 11 -10.831 20.052 -5.397 1.00 14.42 C ATOM 191 CG ARG A 11 -11.335 19.210 -4.230 1.00 62.13 C ATOM 192 CD ARG A 11 -12.476 19.897 -3.486 1.00 61.03 C ATOM 193 NE ARG A 11 -12.088 21.218 -2.992 1.00 32.14 N ATOM 194 CZ ARG A 11 -12.924 22.099 -2.510 1.00 74.32 C ATOM 195 NH1 ARG A 11 -14.182 21.822 -2.390 1.00 61.11 N ATOM 196 NH2 ARG A 11 -12.489 23.257 -2.133 1.00 70.14 N ATOM 0 H ARG A 11 -9.437 19.987 -8.177 1.00 74.35 H new ATOM 0 HA ARG A 11 -8.820 19.271 -5.484 1.00 21.25 H new ATOM 0 HB2 ARG A 11 -10.525 21.028 -5.021 1.00 14.42 H new ATOM 0 HB3 ARG A 11 -11.655 20.222 -6.090 1.00 14.42 H new ATOM 0 HG2 ARG A 11 -11.673 18.242 -4.600 1.00 62.13 H new ATOM 0 HG3 ARG A 11 -10.514 19.018 -3.539 1.00 62.13 H new ATOM 0 HD2 ARG A 11 -13.335 19.996 -4.150 1.00 61.03 H new ATOM 0 HD3 ARG A 11 -12.790 19.274 -2.649 1.00 61.03 H new ATOM 0 HE ARG A 11 -11.100 21.468 -3.026 1.00 32.14 H new ATOM 0 HH11 ARG A 11 -14.532 20.907 -2.673 1.00 61.11 H new ATOM 0 HH12 ARG A 11 -14.824 22.519 -2.012 1.00 61.11 H new ATOM 0 HH21 ARG A 11 -11.497 23.480 -2.212 1.00 70.14 H new ATOM 0 HH22 ARG A 11 -13.138 23.948 -1.756 1.00 70.14 H new ATOM 210 N GLY A 12 -9.838 16.981 -5.986 1.00 4.02 N ATOM 211 CA GLY A 12 -10.239 15.653 -6.449 1.00 53.54 C ATOM 212 C GLY A 12 -9.711 14.500 -5.593 1.00 35.34 C ATOM 213 O GLY A 12 -8.608 14.567 -5.045 1.00 5.23 O ATOM 0 H GLY A 12 -9.385 17.001 -5.072 1.00 4.02 H new ATOM 0 HA2 GLY A 12 -11.328 15.603 -6.473 1.00 53.54 H new ATOM 0 HA3 GLY A 12 -9.891 15.518 -7.473 1.00 53.54 H new ATOM 217 N GLY A 13 -10.509 13.437 -5.481 1.00 32.32 N ATOM 218 CA GLY A 13 -10.080 12.228 -4.773 1.00 41.52 C ATOM 219 C GLY A 13 -9.466 11.190 -5.714 1.00 42.34 C ATOM 220 O GLY A 13 -8.537 10.467 -5.344 1.00 31.44 O ATOM 0 H GLY A 13 -11.451 13.387 -5.869 1.00 32.32 H new ATOM 0 HA2 GLY A 13 -9.352 12.497 -4.008 1.00 41.52 H new ATOM 0 HA3 GLY A 13 -10.935 11.788 -4.259 1.00 41.52 H new ATOM 224 N ASN A 14 -9.998 11.116 -6.933 1.00 32.34 N ATOM 225 CA ASN A 14 -9.456 10.245 -7.986 1.00 51.32 C ATOM 226 C ASN A 14 -9.424 11.008 -9.325 1.00 22.34 C ATOM 227 O ASN A 14 -10.194 11.951 -9.523 1.00 63.24 O ATOM 228 CB ASN A 14 -10.304 8.972 -8.121 1.00 32.25 C ATOM 229 CG ASN A 14 -9.663 7.944 -9.040 1.00 64.23 C ATOM 230 OD1 ASN A 14 -9.824 7.990 -10.255 1.00 24.11 O ATOM 231 ND2 ASN A 14 -8.931 7.006 -8.471 1.00 71.32 N ATOM 0 H ASN A 14 -10.814 11.655 -7.222 1.00 32.34 H new ATOM 0 HA ASN A 14 -8.441 9.954 -7.715 1.00 51.32 H new ATOM 0 HB2 ASN A 14 -10.453 8.531 -7.135 1.00 32.25 H new ATOM 0 HB3 ASN A 14 -11.290 9.234 -8.505 1.00 32.25 H new ATOM 0 HD21 ASN A 14 -8.480 6.293 -9.044 1.00 71.32 H new ATOM 0 HD22 ASN A 14 -8.815 6.994 -7.458 1.00 71.32 H new ATOM 238 N THR A 15 -8.545 10.608 -10.250 1.00 12.45 N ATOM 239 CA THR A 15 -8.370 11.364 -11.505 1.00 71.31 C ATOM 240 C THR A 15 -8.345 10.470 -12.758 1.00 31.53 C ATOM 241 O THR A 15 -8.200 10.966 -13.877 1.00 4.24 O ATOM 242 CB THR A 15 -7.067 12.214 -11.458 1.00 52.42 C ATOM 243 OG1 THR A 15 -6.989 12.934 -10.215 1.00 70.53 O ATOM 244 CG2 THR A 15 -6.991 13.216 -12.609 1.00 23.13 C ATOM 0 H THR A 15 -7.952 9.783 -10.162 1.00 12.45 H new ATOM 0 HA THR A 15 -9.242 12.013 -11.584 1.00 71.31 H new ATOM 0 HB THR A 15 -6.232 11.519 -11.550 1.00 52.42 H new ATOM 0 HG1 THR A 15 -6.165 13.464 -10.195 1.00 70.53 H new ATOM 0 HG21 THR A 15 -6.065 13.786 -12.534 1.00 23.13 H new ATOM 0 HG22 THR A 15 -7.013 12.682 -13.559 1.00 23.13 H new ATOM 0 HG23 THR A 15 -7.841 13.896 -12.556 1.00 23.13 H new ATOM 252 N LYS A 16 -8.531 9.166 -12.589 1.00 25.31 N ATOM 253 CA LYS A 16 -8.421 8.233 -13.727 1.00 54.23 C ATOM 254 C LYS A 16 -8.765 6.776 -13.363 1.00 35.43 C ATOM 255 O LYS A 16 -7.891 6.021 -12.933 1.00 32.03 O ATOM 256 CB LYS A 16 -7.000 8.294 -14.317 1.00 41.12 C ATOM 257 CG LYS A 16 -6.786 7.403 -15.539 1.00 2.03 C ATOM 258 CD LYS A 16 -5.365 7.535 -16.086 1.00 44.13 C ATOM 259 CE LYS A 16 -5.059 8.964 -16.524 1.00 14.24 C ATOM 260 NZ LYS A 16 -3.649 9.123 -16.963 1.00 35.10 N ATOM 0 H LYS A 16 -8.755 8.727 -11.696 1.00 25.31 H new ATOM 0 HA LYS A 16 -9.158 8.556 -14.463 1.00 54.23 H new ATOM 0 HB2 LYS A 16 -6.777 9.325 -14.591 1.00 41.12 H new ATOM 0 HB3 LYS A 16 -6.286 8.008 -13.544 1.00 41.12 H new ATOM 0 HG2 LYS A 16 -6.979 6.364 -15.271 1.00 2.03 H new ATOM 0 HG3 LYS A 16 -7.502 7.671 -16.316 1.00 2.03 H new ATOM 0 HD2 LYS A 16 -4.651 7.228 -15.322 1.00 44.13 H new ATOM 0 HD3 LYS A 16 -5.237 6.860 -16.932 1.00 44.13 H new ATOM 0 HE2 LYS A 16 -5.726 9.244 -17.339 1.00 14.24 H new ATOM 0 HE3 LYS A 16 -5.261 9.647 -15.699 1.00 14.24 H new ATOM 0 HZ1 LYS A 16 -3.484 10.108 -17.252 1.00 35.10 H new ATOM 0 HZ2 LYS A 16 -3.012 8.881 -16.178 1.00 35.10 H new ATOM 0 HZ3 LYS A 16 -3.462 8.491 -17.767 1.00 35.10 H new ATOM 274 N VAL A 17 -10.047 6.412 -13.536 1.00 62.52 N ATOM 275 CA VAL A 17 -10.542 5.011 -13.476 1.00 14.10 C ATOM 276 C VAL A 17 -10.065 4.206 -12.232 1.00 14.44 C ATOM 277 O VAL A 17 -9.192 4.631 -11.478 1.00 45.21 O ATOM 278 CB VAL A 17 -10.180 4.240 -14.791 1.00 21.53 C ATOM 279 CG1 VAL A 17 -8.703 3.841 -14.832 1.00 42.21 C ATOM 280 CG2 VAL A 17 -11.079 3.020 -14.996 1.00 43.32 C ATOM 0 H VAL A 17 -10.787 7.088 -13.725 1.00 62.52 H new ATOM 0 HA VAL A 17 -11.624 5.094 -13.376 1.00 14.10 H new ATOM 0 HB VAL A 17 -10.358 4.929 -15.617 1.00 21.53 H new ATOM 0 HG11 VAL A 17 -8.495 3.309 -15.760 1.00 42.21 H new ATOM 0 HG12 VAL A 17 -8.083 4.736 -14.780 1.00 42.21 H new ATOM 0 HG13 VAL A 17 -8.477 3.194 -13.985 1.00 42.21 H new ATOM 0 HG21 VAL A 17 -10.797 2.511 -15.918 1.00 43.32 H new ATOM 0 HG22 VAL A 17 -10.963 2.337 -14.155 1.00 43.32 H new ATOM 0 HG23 VAL A 17 -12.119 3.341 -15.062 1.00 43.32 H new ATOM 290 N ARG A 18 -10.679 3.043 -12.008 1.00 72.03 N ATOM 291 CA ARG A 18 -10.246 2.128 -10.943 1.00 33.14 C ATOM 292 C ARG A 18 -9.096 1.217 -11.422 1.00 55.00 C ATOM 293 O ARG A 18 -8.545 1.413 -12.506 1.00 2.10 O ATOM 294 CB ARG A 18 -11.448 1.301 -10.428 1.00 15.50 C ATOM 295 CG ARG A 18 -12.265 0.578 -11.508 1.00 4.21 C ATOM 296 CD ARG A 18 -11.600 -0.709 -11.996 1.00 13.40 C ATOM 297 NE ARG A 18 -12.453 -1.454 -12.924 1.00 60.24 N ATOM 298 CZ ARG A 18 -12.266 -2.707 -13.252 1.00 23.31 C ATOM 299 NH1 ARG A 18 -11.258 -3.368 -12.778 1.00 63.51 N ATOM 300 NH2 ARG A 18 -13.085 -3.297 -14.065 1.00 30.44 N ATOM 0 H ARG A 18 -11.478 2.710 -12.548 1.00 72.03 H new ATOM 0 HA ARG A 18 -9.861 2.721 -10.114 1.00 33.14 H new ATOM 0 HB2 ARG A 18 -11.079 0.560 -9.719 1.00 15.50 H new ATOM 0 HB3 ARG A 18 -12.114 1.965 -9.877 1.00 15.50 H new ATOM 0 HG2 ARG A 18 -13.253 0.343 -11.112 1.00 4.21 H new ATOM 0 HG3 ARG A 18 -12.412 1.248 -12.355 1.00 4.21 H new ATOM 0 HD2 ARG A 18 -10.658 -0.466 -12.487 1.00 13.40 H new ATOM 0 HD3 ARG A 18 -11.360 -1.339 -11.140 1.00 13.40 H new ATOM 0 HE ARG A 18 -13.244 -0.965 -13.342 1.00 60.24 H new ATOM 0 HH11 ARG A 18 -10.602 -2.912 -12.144 1.00 63.51 H new ATOM 0 HH12 ARG A 18 -11.120 -4.344 -13.039 1.00 63.51 H new ATOM 0 HH21 ARG A 18 -13.878 -2.785 -14.451 1.00 30.44 H new ATOM 0 HH22 ARG A 18 -12.937 -4.274 -14.319 1.00 30.44 H new ATOM 314 N LEU A 19 -8.726 0.233 -10.606 1.00 23.32 N ATOM 315 CA LEU A 19 -7.655 -0.708 -10.966 1.00 33.40 C ATOM 316 C LEU A 19 -8.146 -1.716 -12.017 1.00 2.03 C ATOM 317 O LEU A 19 -8.971 -2.584 -11.727 1.00 64.10 O ATOM 318 CB LEU A 19 -7.143 -1.439 -9.704 1.00 12.25 C ATOM 319 CG LEU A 19 -5.865 -2.303 -9.870 1.00 21.40 C ATOM 320 CD1 LEU A 19 -5.239 -2.585 -8.511 1.00 3.52 C ATOM 321 CD2 LEU A 19 -6.157 -3.623 -10.586 1.00 55.30 C ATOM 0 H LEU A 19 -9.147 0.062 -9.693 1.00 23.32 H new ATOM 0 HA LEU A 19 -6.829 -0.145 -11.401 1.00 33.40 H new ATOM 0 HB2 LEU A 19 -6.952 -0.693 -8.933 1.00 12.25 H new ATOM 0 HB3 LEU A 19 -7.943 -2.081 -9.335 1.00 12.25 H new ATOM 0 HG LEU A 19 -5.167 -1.735 -10.485 1.00 21.40 H new ATOM 0 HD11 LEU A 19 -4.343 -3.192 -8.642 1.00 3.52 H new ATOM 0 HD12 LEU A 19 -4.972 -1.644 -8.031 1.00 3.52 H new ATOM 0 HD13 LEU A 19 -5.953 -3.122 -7.886 1.00 3.52 H new ATOM 0 HD21 LEU A 19 -5.235 -4.197 -10.681 1.00 55.30 H new ATOM 0 HD22 LEU A 19 -6.884 -4.196 -10.010 1.00 55.30 H new ATOM 0 HD23 LEU A 19 -6.561 -3.418 -11.577 1.00 55.30 H new ATOM 333 N ALA A 20 -7.650 -1.579 -13.241 1.00 15.41 N ATOM 334 CA ALA A 20 -7.922 -2.545 -14.311 1.00 32.44 C ATOM 335 C ALA A 20 -6.649 -2.795 -15.130 1.00 65.34 C ATOM 336 O ALA A 20 -6.011 -3.843 -15.013 1.00 63.24 O ATOM 337 CB ALA A 20 -9.057 -2.051 -15.206 1.00 33.12 C ATOM 0 H ALA A 20 -7.052 -0.803 -13.524 1.00 15.41 H new ATOM 0 HA ALA A 20 -8.235 -3.487 -13.862 1.00 32.44 H new ATOM 0 HB1 ALA A 20 -9.244 -2.781 -15.993 1.00 33.12 H new ATOM 0 HB2 ALA A 20 -9.960 -1.921 -14.610 1.00 33.12 H new ATOM 0 HB3 ALA A 20 -8.778 -1.097 -15.654 1.00 33.12 H new ATOM 343 N SER A 21 -6.274 -1.815 -15.946 1.00 45.42 N ATOM 344 CA SER A 21 -4.996 -1.856 -16.670 1.00 54.30 C ATOM 345 C SER A 21 -3.901 -1.154 -15.857 1.00 62.44 C ATOM 346 O SER A 21 -2.723 -1.492 -15.949 1.00 41.32 O ATOM 347 CB SER A 21 -5.137 -1.193 -18.046 1.00 55.32 C ATOM 348 OG SER A 21 -3.914 -1.225 -18.766 1.00 54.33 O ATOM 0 H SER A 21 -6.832 -0.981 -16.126 1.00 45.42 H new ATOM 0 HA SER A 21 -4.714 -2.899 -16.813 1.00 54.30 H new ATOM 0 HB2 SER A 21 -5.911 -1.703 -18.619 1.00 55.32 H new ATOM 0 HB3 SER A 21 -5.461 -0.160 -17.922 1.00 55.32 H new ATOM 0 HG SER A 21 -4.037 -0.796 -19.639 1.00 54.33 H new ATOM 354 N ASP A 22 -4.317 -0.189 -15.041 1.00 25.34 N ATOM 355 CA ASP A 22 -3.402 0.567 -14.185 1.00 32.03 C ATOM 356 C ASP A 22 -3.350 -0.030 -12.766 1.00 2.44 C ATOM 357 O ASP A 22 -4.235 0.225 -11.942 1.00 11.44 O ATOM 358 CB ASP A 22 -3.854 2.029 -14.106 1.00 35.31 C ATOM 359 CG ASP A 22 -3.988 2.670 -15.475 1.00 72.44 C ATOM 360 OD1 ASP A 22 -5.059 2.518 -16.104 1.00 64.10 O ATOM 361 OD2 ASP A 22 -3.027 3.331 -15.924 1.00 30.50 O ATOM 0 H ASP A 22 -5.294 0.092 -14.953 1.00 25.34 H new ATOM 0 HA ASP A 22 -2.405 0.511 -14.621 1.00 32.03 H new ATOM 0 HB2 ASP A 22 -4.812 2.083 -13.588 1.00 35.31 H new ATOM 0 HB3 ASP A 22 -3.138 2.596 -13.511 1.00 35.31 H new ATOM 366 N THR A 23 -2.323 -0.831 -12.483 1.00 72.13 N ATOM 367 CA THR A 23 -2.164 -1.426 -11.147 1.00 64.41 C ATOM 368 C THR A 23 -1.812 -0.350 -10.107 1.00 65.13 C ATOM 369 O THR A 23 -0.719 0.222 -10.128 1.00 41.33 O ATOM 370 CB THR A 23 -1.068 -2.525 -11.143 1.00 53.24 C ATOM 371 OG1 THR A 23 -1.401 -3.573 -12.070 1.00 21.30 O ATOM 372 CG2 THR A 23 -0.891 -3.129 -9.753 1.00 44.21 C ATOM 0 H THR A 23 -1.594 -1.084 -13.150 1.00 72.13 H new ATOM 0 HA THR A 23 -3.118 -1.883 -10.883 1.00 64.41 H new ATOM 0 HB THR A 23 -0.133 -2.051 -11.443 1.00 53.24 H new ATOM 0 HG1 THR A 23 -0.699 -4.257 -12.057 1.00 21.30 H new ATOM 0 HG21 THR A 23 -0.116 -3.895 -9.785 1.00 44.21 H new ATOM 0 HG22 THR A 23 -0.600 -2.348 -9.051 1.00 44.21 H new ATOM 0 HG23 THR A 23 -1.830 -3.576 -9.428 1.00 44.21 H new ATOM 380 N ARG A 24 -2.737 -0.099 -9.180 1.00 65.52 N ATOM 381 CA ARG A 24 -2.599 0.992 -8.202 1.00 70.45 C ATOM 382 C ARG A 24 -3.205 0.603 -6.843 1.00 14.11 C ATOM 383 O ARG A 24 -3.990 -0.339 -6.748 1.00 14.43 O ATOM 384 CB ARG A 24 -3.286 2.261 -8.738 1.00 62.02 C ATOM 385 CG ARG A 24 -2.603 2.873 -9.963 1.00 5.45 C ATOM 386 CD ARG A 24 -3.458 3.961 -10.608 1.00 21.41 C ATOM 387 NE ARG A 24 -4.703 3.422 -11.161 1.00 22.14 N ATOM 388 CZ ARG A 24 -5.683 4.157 -11.619 1.00 71.42 C ATOM 389 NH1 ARG A 24 -5.596 5.448 -11.624 1.00 44.14 N ATOM 390 NH2 ARG A 24 -6.752 3.603 -12.090 1.00 1.22 N ATOM 0 H ARG A 24 -3.597 -0.638 -9.082 1.00 65.52 H new ATOM 0 HA ARG A 24 -1.536 1.185 -8.055 1.00 70.45 H new ATOM 0 HB2 ARG A 24 -4.318 2.022 -8.993 1.00 62.02 H new ATOM 0 HB3 ARG A 24 -3.318 3.006 -7.943 1.00 62.02 H new ATOM 0 HG2 ARG A 24 -1.641 3.293 -9.670 1.00 5.45 H new ATOM 0 HG3 ARG A 24 -2.399 2.090 -10.694 1.00 5.45 H new ATOM 0 HD2 ARG A 24 -3.691 4.726 -9.867 1.00 21.41 H new ATOM 0 HD3 ARG A 24 -2.889 4.447 -11.401 1.00 21.41 H new ATOM 0 HE ARG A 24 -4.813 2.408 -11.191 1.00 22.14 H new ATOM 0 HH11 ARG A 24 -4.756 5.904 -11.268 1.00 44.14 H new ATOM 0 HH12 ARG A 24 -6.368 6.010 -11.984 1.00 44.14 H new ATOM 0 HH21 ARG A 24 -6.835 2.587 -12.106 1.00 1.22 H new ATOM 0 HH22 ARG A 24 -7.512 4.182 -12.446 1.00 1.22 H new ATOM 404 N ILE A 25 -2.846 1.343 -5.797 1.00 71.33 N ATOM 405 CA ILE A 25 -3.326 1.056 -4.439 1.00 11.10 C ATOM 406 C ILE A 25 -3.479 2.339 -3.602 1.00 10.41 C ATOM 407 O ILE A 25 -2.618 3.221 -3.625 1.00 12.44 O ATOM 408 CB ILE A 25 -2.365 0.072 -3.711 1.00 24.34 C ATOM 409 CG1 ILE A 25 -2.866 -0.239 -2.288 1.00 63.04 C ATOM 410 CG2 ILE A 25 -0.940 0.633 -3.671 1.00 23.53 C ATOM 411 CD1 ILE A 25 -2.036 -1.275 -1.557 1.00 60.42 C ATOM 0 H ILE A 25 -2.223 2.148 -5.859 1.00 71.33 H new ATOM 0 HA ILE A 25 -4.309 0.595 -4.540 1.00 11.10 H new ATOM 0 HB ILE A 25 -2.350 -0.860 -4.275 1.00 24.34 H new ATOM 0 HG12 ILE A 25 -2.873 0.683 -1.706 1.00 63.04 H new ATOM 0 HG13 ILE A 25 -3.897 -0.588 -2.345 1.00 63.04 H new ATOM 0 HG21 ILE A 25 -0.286 -0.072 -3.158 1.00 23.53 H new ATOM 0 HG22 ILE A 25 -0.581 0.786 -4.689 1.00 23.53 H new ATOM 0 HG23 ILE A 25 -0.938 1.584 -3.138 1.00 23.53 H new ATOM 0 HD11 ILE A 25 -2.452 -1.439 -0.563 1.00 60.42 H new ATOM 0 HD12 ILE A 25 -2.049 -2.211 -2.115 1.00 60.42 H new ATOM 0 HD13 ILE A 25 -1.009 -0.921 -1.467 1.00 60.42 H new ATOM 423 N ASN A 26 -4.590 2.441 -2.875 1.00 71.24 N ATOM 424 CA ASN A 26 -4.803 3.552 -1.946 1.00 23.41 C ATOM 425 C ASN A 26 -3.948 3.365 -0.685 1.00 33.42 C ATOM 426 O ASN A 26 -4.267 2.551 0.184 1.00 64.32 O ATOM 427 CB ASN A 26 -6.280 3.656 -1.556 1.00 23.54 C ATOM 428 CG ASN A 26 -7.183 3.906 -2.748 1.00 72.32 C ATOM 429 OD1 ASN A 26 -6.788 4.527 -3.730 1.00 53.31 O ATOM 430 ND2 ASN A 26 -8.408 3.434 -2.670 1.00 75.22 N ATOM 0 H ASN A 26 -5.357 1.769 -2.910 1.00 71.24 H new ATOM 0 HA ASN A 26 -4.506 4.474 -2.447 1.00 23.41 H new ATOM 0 HB2 ASN A 26 -6.586 2.735 -1.060 1.00 23.54 H new ATOM 0 HB3 ASN A 26 -6.405 4.463 -0.835 1.00 23.54 H new ATOM 0 HD21 ASN A 26 -9.061 3.580 -3.440 1.00 75.22 H new ATOM 0 HD22 ASN A 26 -8.705 2.922 -1.840 1.00 75.22 H new ATOM 437 N VAL A 27 -2.861 4.115 -0.606 1.00 32.43 N ATOM 438 CA VAL A 27 -1.917 4.012 0.503 1.00 4.24 C ATOM 439 C VAL A 27 -2.233 5.031 1.609 1.00 53.10 C ATOM 440 O VAL A 27 -2.703 6.134 1.338 1.00 52.04 O ATOM 441 CB VAL A 27 -0.468 4.232 0.006 1.00 52.14 C ATOM 442 CG1 VAL A 27 0.535 4.063 1.144 1.00 2.42 C ATOM 443 CG2 VAL A 27 -0.150 3.280 -1.143 1.00 12.40 C ATOM 0 H VAL A 27 -2.605 4.812 -1.305 1.00 32.43 H new ATOM 0 HA VAL A 27 -2.013 3.008 0.917 1.00 4.24 H new ATOM 0 HB VAL A 27 -0.385 5.255 -0.360 1.00 52.14 H new ATOM 0 HG11 VAL A 27 1.545 4.223 0.766 1.00 2.42 H new ATOM 0 HG12 VAL A 27 0.322 4.790 1.928 1.00 2.42 H new ATOM 0 HG13 VAL A 27 0.456 3.055 1.552 1.00 2.42 H new ATOM 0 HG21 VAL A 27 0.873 3.447 -1.482 1.00 12.40 H new ATOM 0 HG22 VAL A 27 -0.256 2.250 -0.802 1.00 12.40 H new ATOM 0 HG23 VAL A 27 -0.839 3.462 -1.968 1.00 12.40 H new ATOM 453 N VAL A 28 -1.986 4.636 2.855 1.00 72.14 N ATOM 454 CA VAL A 28 -2.164 5.520 4.009 1.00 53.40 C ATOM 455 C VAL A 28 -0.826 5.761 4.723 1.00 10.41 C ATOM 456 O VAL A 28 -0.297 4.864 5.387 1.00 34.13 O ATOM 457 CB VAL A 28 -3.175 4.925 5.025 1.00 14.52 C ATOM 458 CG1 VAL A 28 -3.405 5.885 6.195 1.00 10.42 C ATOM 459 CG2 VAL A 28 -4.493 4.580 4.335 1.00 42.30 C ATOM 0 H VAL A 28 -1.659 3.700 3.095 1.00 72.14 H new ATOM 0 HA VAL A 28 -2.553 6.466 3.631 1.00 53.40 H new ATOM 0 HB VAL A 28 -2.751 4.005 5.426 1.00 14.52 H new ATOM 0 HG11 VAL A 28 -4.117 5.444 6.893 1.00 10.42 H new ATOM 0 HG12 VAL A 28 -2.460 6.067 6.708 1.00 10.42 H new ATOM 0 HG13 VAL A 28 -3.801 6.828 5.819 1.00 10.42 H new ATOM 0 HG21 VAL A 28 -5.188 4.164 5.065 1.00 42.30 H new ATOM 0 HG22 VAL A 28 -4.922 5.482 3.898 1.00 42.30 H new ATOM 0 HG23 VAL A 28 -4.311 3.847 3.549 1.00 42.30 H new ATOM 469 N ASP A 29 -0.273 6.960 4.569 1.00 75.21 N ATOM 470 CA ASP A 29 0.980 7.330 5.236 1.00 1.24 C ATOM 471 C ASP A 29 0.763 7.482 6.758 1.00 60.30 C ATOM 472 O ASP A 29 0.070 8.396 7.204 1.00 41.14 O ATOM 473 CB ASP A 29 1.516 8.640 4.635 1.00 50.44 C ATOM 474 CG ASP A 29 2.856 9.065 5.220 1.00 61.34 C ATOM 475 OD1 ASP A 29 2.866 9.668 6.310 1.00 61.13 O ATOM 476 OD2 ASP A 29 3.901 8.814 4.581 1.00 14.22 O ATOM 0 H ASP A 29 -0.671 7.697 3.987 1.00 75.21 H new ATOM 0 HA ASP A 29 1.713 6.539 5.078 1.00 1.24 H new ATOM 0 HB2 ASP A 29 1.619 8.522 3.556 1.00 50.44 H new ATOM 0 HB3 ASP A 29 0.787 9.433 4.801 1.00 50.44 H new ATOM 481 N PRO A 30 1.358 6.591 7.579 1.00 75.54 N ATOM 482 CA PRO A 30 1.164 6.599 9.040 1.00 62.22 C ATOM 483 C PRO A 30 2.038 7.638 9.764 1.00 21.45 C ATOM 484 O PRO A 30 1.802 7.957 10.932 1.00 61.31 O ATOM 485 CB PRO A 30 1.574 5.178 9.434 1.00 21.12 C ATOM 486 CG PRO A 30 2.641 4.825 8.453 1.00 43.10 C ATOM 487 CD PRO A 30 2.266 5.508 7.156 1.00 3.20 C ATOM 0 HA PRO A 30 0.146 6.871 9.317 1.00 62.22 H new ATOM 0 HB2 PRO A 30 1.945 5.139 10.458 1.00 21.12 H new ATOM 0 HB3 PRO A 30 0.732 4.488 9.373 1.00 21.12 H new ATOM 0 HG2 PRO A 30 3.617 5.162 8.802 1.00 43.10 H new ATOM 0 HG3 PRO A 30 2.705 3.745 8.320 1.00 43.10 H new ATOM 0 HD2 PRO A 30 3.144 5.900 6.642 1.00 3.20 H new ATOM 0 HD3 PRO A 30 1.775 4.819 6.469 1.00 3.20 H new ATOM 495 N GLU A 31 3.036 8.171 9.064 1.00 71.35 N ATOM 496 CA GLU A 31 3.944 9.158 9.651 1.00 24.01 C ATOM 497 C GLU A 31 3.257 10.523 9.779 1.00 65.23 C ATOM 498 O GLU A 31 3.466 11.256 10.745 1.00 72.55 O ATOM 499 CB GLU A 31 5.213 9.287 8.796 1.00 72.22 C ATOM 500 CG GLU A 31 5.912 7.959 8.508 1.00 63.32 C ATOM 501 CD GLU A 31 6.234 7.163 9.766 1.00 33.43 C ATOM 502 OE1 GLU A 31 7.055 7.637 10.584 1.00 62.14 O ATOM 503 OE2 GLU A 31 5.677 6.057 9.940 1.00 30.13 O ATOM 0 H GLU A 31 3.238 7.938 8.092 1.00 71.35 H new ATOM 0 HA GLU A 31 4.220 8.816 10.648 1.00 24.01 H new ATOM 0 HB2 GLU A 31 4.953 9.761 7.849 1.00 72.22 H new ATOM 0 HB3 GLU A 31 5.913 9.951 9.303 1.00 72.22 H new ATOM 0 HG2 GLU A 31 5.278 7.356 7.857 1.00 63.32 H new ATOM 0 HG3 GLU A 31 6.836 8.153 7.963 1.00 63.32 H new ATOM 510 N THR A 32 2.439 10.855 8.788 1.00 60.41 N ATOM 511 CA THR A 32 1.685 12.115 8.778 1.00 72.31 C ATOM 512 C THR A 32 0.186 11.873 8.978 1.00 53.53 C ATOM 513 O THR A 32 -0.516 12.689 9.581 1.00 10.55 O ATOM 514 CB THR A 32 1.869 12.861 7.436 1.00 52.05 C ATOM 515 OG1 THR A 32 1.291 12.091 6.368 1.00 42.21 O ATOM 516 CG2 THR A 32 3.343 13.111 7.136 1.00 32.13 C ATOM 0 H THR A 32 2.276 10.267 7.971 1.00 60.41 H new ATOM 0 HA THR A 32 2.075 12.716 9.600 1.00 72.31 H new ATOM 0 HB THR A 32 1.366 13.825 7.517 1.00 52.05 H new ATOM 0 HG1 THR A 32 1.773 11.243 6.278 1.00 42.21 H new ATOM 0 HG21 THR A 32 3.437 13.637 6.186 1.00 32.13 H new ATOM 0 HG22 THR A 32 3.778 13.717 7.931 1.00 32.13 H new ATOM 0 HG23 THR A 32 3.869 12.158 7.077 1.00 32.13 H new ATOM 524 N GLY A 33 -0.302 10.738 8.483 1.00 53.30 N ATOM 525 CA GLY A 33 -1.727 10.429 8.557 1.00 1.44 C ATOM 526 C GLY A 33 -2.496 10.918 7.331 1.00 74.34 C ATOM 527 O GLY A 33 -3.559 11.526 7.456 1.00 5.35 O ATOM 0 H GLY A 33 0.264 10.021 8.029 1.00 53.30 H new ATOM 0 HA2 GLY A 33 -1.857 9.351 8.658 1.00 1.44 H new ATOM 0 HA3 GLY A 33 -2.149 10.886 9.452 1.00 1.44 H new ATOM 531 N LYS A 34 -1.944 10.676 6.145 1.00 71.05 N ATOM 532 CA LYS A 34 -2.603 11.055 4.885 1.00 54.21 C ATOM 533 C LYS A 34 -2.899 9.820 4.023 1.00 64.24 C ATOM 534 O LYS A 34 -2.344 8.748 4.254 1.00 4.12 O ATOM 535 CB LYS A 34 -1.727 12.037 4.095 1.00 0.13 C ATOM 536 CG LYS A 34 -0.422 11.429 3.592 1.00 14.34 C ATOM 537 CD LYS A 34 0.372 12.401 2.722 1.00 13.34 C ATOM 538 CE LYS A 34 0.812 13.638 3.495 1.00 31.15 C ATOM 539 NZ LYS A 34 1.616 14.556 2.651 1.00 22.23 N ATOM 0 H LYS A 34 -1.040 10.219 6.023 1.00 71.05 H new ATOM 0 HA LYS A 34 -3.547 11.538 5.137 1.00 54.21 H new ATOM 0 HB2 LYS A 34 -2.295 12.412 3.243 1.00 0.13 H new ATOM 0 HB3 LYS A 34 -1.498 12.895 4.727 1.00 0.13 H new ATOM 0 HG2 LYS A 34 0.187 11.126 4.444 1.00 14.34 H new ATOM 0 HG3 LYS A 34 -0.640 10.528 3.020 1.00 14.34 H new ATOM 0 HD2 LYS A 34 1.250 11.894 2.322 1.00 13.34 H new ATOM 0 HD3 LYS A 34 -0.237 12.704 1.870 1.00 13.34 H new ATOM 0 HE2 LYS A 34 -0.066 14.164 3.870 1.00 31.15 H new ATOM 0 HE3 LYS A 34 1.398 13.335 4.363 1.00 31.15 H new ATOM 0 HZ1 LYS A 34 1.897 15.386 3.211 1.00 22.23 H new ATOM 0 HZ2 LYS A 34 2.467 14.062 2.313 1.00 22.23 H new ATOM 0 HZ3 LYS A 34 1.049 14.865 1.836 1.00 22.23 H new ATOM 553 N VAL A 35 -3.789 9.971 3.041 1.00 52.22 N ATOM 554 CA VAL A 35 -4.109 8.879 2.107 1.00 43.42 C ATOM 555 C VAL A 35 -3.804 9.283 0.652 1.00 25.12 C ATOM 556 O VAL A 35 -4.434 10.195 0.099 1.00 3.24 O ATOM 557 CB VAL A 35 -5.597 8.453 2.219 1.00 22.30 C ATOM 558 CG1 VAL A 35 -5.916 7.307 1.257 1.00 14.22 C ATOM 559 CG2 VAL A 35 -5.936 8.061 3.656 1.00 63.50 C ATOM 0 H VAL A 35 -4.303 10.835 2.868 1.00 52.22 H new ATOM 0 HA VAL A 35 -3.479 8.033 2.383 1.00 43.42 H new ATOM 0 HB VAL A 35 -6.214 9.307 1.939 1.00 22.30 H new ATOM 0 HG11 VAL A 35 -6.965 7.029 1.357 1.00 14.22 H new ATOM 0 HG12 VAL A 35 -5.721 7.627 0.233 1.00 14.22 H new ATOM 0 HG13 VAL A 35 -5.289 6.448 1.494 1.00 14.22 H new ATOM 0 HG21 VAL A 35 -6.983 7.765 3.715 1.00 63.50 H new ATOM 0 HG22 VAL A 35 -5.306 7.227 3.964 1.00 63.50 H new ATOM 0 HG23 VAL A 35 -5.761 8.911 4.316 1.00 63.50 H new ATOM 569 N GLU A 36 -2.824 8.621 0.045 1.00 33.12 N ATOM 570 CA GLU A 36 -2.465 8.867 -1.361 1.00 43.30 C ATOM 571 C GLU A 36 -2.685 7.618 -2.232 1.00 30.30 C ATOM 572 O GLU A 36 -2.947 6.531 -1.726 1.00 40.42 O ATOM 573 CB GLU A 36 -1.000 9.330 -1.482 1.00 21.02 C ATOM 574 CG GLU A 36 0.019 8.416 -0.797 1.00 53.40 C ATOM 575 CD GLU A 36 0.210 8.740 0.680 1.00 44.01 C ATOM 576 OE1 GLU A 36 1.056 9.610 0.988 1.00 41.11 O ATOM 577 OE2 GLU A 36 -0.480 8.141 1.525 1.00 33.11 O ATOM 0 H GLU A 36 -2.258 7.906 0.501 1.00 33.12 H new ATOM 0 HA GLU A 36 -3.122 9.658 -1.723 1.00 43.30 H new ATOM 0 HB2 GLU A 36 -0.744 9.409 -2.539 1.00 21.02 H new ATOM 0 HB3 GLU A 36 -0.913 10.330 -1.058 1.00 21.02 H new ATOM 0 HG2 GLU A 36 -0.305 7.380 -0.897 1.00 53.40 H new ATOM 0 HG3 GLU A 36 0.977 8.501 -1.309 1.00 53.40 H new ATOM 584 N ILE A 37 -2.586 7.786 -3.550 1.00 65.52 N ATOM 585 CA ILE A 37 -2.697 6.662 -4.491 1.00 35.14 C ATOM 586 C ILE A 37 -1.325 6.317 -5.095 1.00 73.32 C ATOM 587 O ILE A 37 -0.722 7.133 -5.792 1.00 4.44 O ATOM 588 CB ILE A 37 -3.697 6.974 -5.638 1.00 5.44 C ATOM 589 CG1 ILE A 37 -5.070 7.363 -5.062 1.00 21.10 C ATOM 590 CG2 ILE A 37 -3.826 5.771 -6.579 1.00 42.30 C ATOM 591 CD1 ILE A 37 -6.101 7.715 -6.117 1.00 54.41 C ATOM 0 H ILE A 37 -2.429 8.690 -3.995 1.00 65.52 H new ATOM 0 HA ILE A 37 -3.070 5.808 -3.925 1.00 35.14 H new ATOM 0 HB ILE A 37 -3.314 7.818 -6.212 1.00 5.44 H new ATOM 0 HG12 ILE A 37 -5.448 6.537 -4.460 1.00 21.10 H new ATOM 0 HG13 ILE A 37 -4.944 8.214 -4.392 1.00 21.10 H new ATOM 0 HG21 ILE A 37 -4.530 6.007 -7.377 1.00 42.30 H new ATOM 0 HG22 ILE A 37 -2.852 5.541 -7.011 1.00 42.30 H new ATOM 0 HG23 ILE A 37 -4.187 4.908 -6.019 1.00 42.30 H new ATOM 0 HD11 ILE A 37 -7.042 7.978 -5.633 1.00 54.41 H new ATOM 0 HD12 ILE A 37 -5.746 8.562 -6.704 1.00 54.41 H new ATOM 0 HD13 ILE A 37 -6.257 6.859 -6.773 1.00 54.41 H new ATOM 603 N ALA A 38 -0.834 5.110 -4.822 1.00 4.41 N ATOM 604 CA ALA A 38 0.480 4.675 -5.313 1.00 63.12 C ATOM 605 C ALA A 38 0.367 3.565 -6.368 1.00 62.21 C ATOM 606 O ALA A 38 -0.636 2.856 -6.442 1.00 34.32 O ATOM 607 CB ALA A 38 1.343 4.208 -4.148 1.00 13.44 C ATOM 0 H ALA A 38 -1.324 4.412 -4.263 1.00 4.41 H new ATOM 0 HA ALA A 38 0.950 5.532 -5.795 1.00 63.12 H new ATOM 0 HB1 ALA A 38 2.316 3.887 -4.521 1.00 13.44 H new ATOM 0 HB2 ALA A 38 1.477 5.028 -3.443 1.00 13.44 H new ATOM 0 HB3 ALA A 38 0.854 3.374 -3.645 1.00 13.44 H new ATOM 613 N GLU A 39 1.409 3.430 -7.185 1.00 13.14 N ATOM 614 CA GLU A 39 1.469 2.387 -8.213 1.00 25.21 C ATOM 615 C GLU A 39 2.274 1.176 -7.713 1.00 11.12 C ATOM 616 O GLU A 39 3.433 1.312 -7.313 1.00 50.41 O ATOM 617 CB GLU A 39 2.114 2.946 -9.490 1.00 54.53 C ATOM 618 CG GLU A 39 1.417 4.183 -10.044 1.00 5.12 C ATOM 619 CD GLU A 39 2.109 4.742 -11.277 1.00 3.32 C ATOM 620 OE1 GLU A 39 3.156 5.406 -11.125 1.00 14.23 O ATOM 621 OE2 GLU A 39 1.617 4.514 -12.402 1.00 45.31 O ATOM 0 H GLU A 39 2.231 4.034 -7.156 1.00 13.14 H new ATOM 0 HA GLU A 39 0.452 2.062 -8.433 1.00 25.21 H new ATOM 0 HB2 GLU A 39 3.156 3.191 -9.282 1.00 54.53 H new ATOM 0 HB3 GLU A 39 2.116 2.169 -10.254 1.00 54.53 H new ATOM 0 HG2 GLU A 39 0.386 3.933 -10.293 1.00 5.12 H new ATOM 0 HG3 GLU A 39 1.382 4.952 -9.272 1.00 5.12 H new ATOM 628 N ILE A 40 1.663 -0.008 -7.741 1.00 1.43 N ATOM 629 CA ILE A 40 2.329 -1.226 -7.256 1.00 22.21 C ATOM 630 C ILE A 40 3.382 -1.728 -8.257 1.00 53.45 C ATOM 631 O ILE A 40 3.054 -2.140 -9.373 1.00 61.33 O ATOM 632 CB ILE A 40 1.311 -2.362 -6.983 1.00 42.33 C ATOM 633 CG1 ILE A 40 0.222 -1.888 -6.004 1.00 45.51 C ATOM 634 CG2 ILE A 40 2.025 -3.604 -6.441 1.00 72.11 C ATOM 635 CD1 ILE A 40 -0.850 -2.927 -5.733 1.00 63.24 C ATOM 0 H ILE A 40 0.716 -0.154 -8.090 1.00 1.43 H new ATOM 0 HA ILE A 40 2.822 -0.957 -6.322 1.00 22.21 H new ATOM 0 HB ILE A 40 0.830 -2.628 -7.924 1.00 42.33 H new ATOM 0 HG12 ILE A 40 0.691 -1.608 -5.061 1.00 45.51 H new ATOM 0 HG13 ILE A 40 -0.248 -0.990 -6.405 1.00 45.51 H new ATOM 0 HG21 ILE A 40 1.295 -4.391 -6.255 1.00 72.11 H new ATOM 0 HG22 ILE A 40 2.755 -3.952 -7.172 1.00 72.11 H new ATOM 0 HG23 ILE A 40 2.534 -3.354 -5.510 1.00 72.11 H new ATOM 0 HD11 ILE A 40 -1.582 -2.521 -5.035 1.00 63.24 H new ATOM 0 HD12 ILE A 40 -1.346 -3.190 -6.667 1.00 63.24 H new ATOM 0 HD13 ILE A 40 -0.393 -3.818 -5.302 1.00 63.24 H new ATOM 647 N ARG A 41 4.648 -1.681 -7.852 1.00 31.11 N ATOM 648 CA ARG A 41 5.753 -2.163 -8.685 1.00 54.03 C ATOM 649 C ARG A 41 5.923 -3.690 -8.556 1.00 33.42 C ATOM 650 O ARG A 41 6.108 -4.392 -9.550 1.00 62.00 O ATOM 651 CB ARG A 41 7.059 -1.449 -8.297 1.00 60.50 C ATOM 652 CG ARG A 41 6.956 0.077 -8.294 1.00 3.53 C ATOM 653 CD ARG A 41 6.599 0.638 -9.669 1.00 41.31 C ATOM 654 NE ARG A 41 7.620 0.332 -10.673 1.00 25.12 N ATOM 655 CZ ARG A 41 8.076 1.186 -11.550 1.00 33.12 C ATOM 656 NH1 ARG A 41 7.616 2.394 -11.599 1.00 74.33 N ATOM 657 NH2 ARG A 41 8.981 0.824 -12.396 1.00 72.14 N ATOM 0 H ARG A 41 4.938 -1.312 -6.947 1.00 31.11 H new ATOM 0 HA ARG A 41 5.517 -1.936 -9.725 1.00 54.03 H new ATOM 0 HB2 ARG A 41 7.364 -1.784 -7.306 1.00 60.50 H new ATOM 0 HB3 ARG A 41 7.845 -1.749 -8.990 1.00 60.50 H new ATOM 0 HG2 ARG A 41 6.201 0.386 -7.571 1.00 3.53 H new ATOM 0 HG3 ARG A 41 7.905 0.502 -7.966 1.00 3.53 H new ATOM 0 HD2 ARG A 41 5.642 0.227 -9.990 1.00 41.31 H new ATOM 0 HD3 ARG A 41 6.474 1.718 -9.598 1.00 41.31 H new ATOM 0 HE ARG A 41 8.002 -0.614 -10.689 1.00 25.12 H new ATOM 0 HH11 ARG A 41 6.889 2.690 -10.948 1.00 74.33 H new ATOM 0 HH12 ARG A 41 7.981 3.051 -12.289 1.00 74.33 H new ATOM 0 HH21 ARG A 41 9.341 -0.130 -12.380 1.00 72.14 H new ATOM 0 HH22 ARG A 41 9.336 1.492 -13.080 1.00 72.14 H new ATOM 671 N ASN A 42 5.858 -4.196 -7.322 1.00 42.44 N ATOM 672 CA ASN A 42 6.000 -5.637 -7.054 1.00 5.31 C ATOM 673 C ASN A 42 4.996 -6.110 -5.991 1.00 74.43 C ATOM 674 O ASN A 42 4.674 -5.374 -5.059 1.00 30.52 O ATOM 675 CB ASN A 42 7.427 -5.969 -6.589 1.00 30.51 C ATOM 676 CG ASN A 42 8.474 -5.625 -7.629 1.00 12.23 C ATOM 677 OD1 ASN A 42 8.785 -6.426 -8.503 1.00 70.33 O ATOM 678 ND2 ASN A 42 9.032 -4.433 -7.541 1.00 62.33 N ATOM 0 H ASN A 42 5.707 -3.630 -6.487 1.00 42.44 H new ATOM 0 HA ASN A 42 5.795 -6.160 -7.988 1.00 5.31 H new ATOM 0 HB2 ASN A 42 7.641 -5.425 -5.669 1.00 30.51 H new ATOM 0 HB3 ASN A 42 7.490 -7.031 -6.353 1.00 30.51 H new ATOM 0 HD21 ASN A 42 9.746 -4.153 -8.213 1.00 62.33 H new ATOM 0 HD22 ASN A 42 8.749 -3.791 -6.801 1.00 62.33 H new ATOM 685 N VAL A 43 4.517 -7.347 -6.129 1.00 52.14 N ATOM 686 CA VAL A 43 3.555 -7.926 -5.175 1.00 63.10 C ATOM 687 C VAL A 43 4.205 -9.019 -4.302 1.00 75.43 C ATOM 688 O VAL A 43 3.517 -9.833 -3.678 1.00 1.44 O ATOM 689 CB VAL A 43 2.326 -8.517 -5.915 1.00 42.02 C ATOM 690 CG1 VAL A 43 1.588 -7.428 -6.692 1.00 4.53 C ATOM 691 CG2 VAL A 43 2.741 -9.660 -6.843 1.00 31.24 C ATOM 0 H VAL A 43 4.777 -7.972 -6.892 1.00 52.14 H new ATOM 0 HA VAL A 43 3.226 -7.115 -4.525 1.00 63.10 H new ATOM 0 HB VAL A 43 1.646 -8.923 -5.167 1.00 42.02 H new ATOM 0 HG11 VAL A 43 0.730 -7.864 -7.203 1.00 4.53 H new ATOM 0 HG12 VAL A 43 1.246 -6.657 -6.002 1.00 4.53 H new ATOM 0 HG13 VAL A 43 2.261 -6.985 -7.426 1.00 4.53 H new ATOM 0 HG21 VAL A 43 1.860 -10.056 -7.349 1.00 31.24 H new ATOM 0 HG22 VAL A 43 3.449 -9.288 -7.584 1.00 31.24 H new ATOM 0 HG23 VAL A 43 3.210 -10.451 -6.258 1.00 31.24 H new ATOM 701 N VAL A 44 5.536 -9.020 -4.254 1.00 62.43 N ATOM 702 CA VAL A 44 6.291 -10.030 -3.502 1.00 0.13 C ATOM 703 C VAL A 44 6.608 -9.568 -2.062 1.00 40.14 C ATOM 704 O VAL A 44 7.425 -8.675 -1.842 1.00 44.15 O ATOM 705 CB VAL A 44 7.599 -10.413 -4.255 1.00 23.33 C ATOM 706 CG1 VAL A 44 8.468 -9.185 -4.532 1.00 64.24 C ATOM 707 CG2 VAL A 44 8.386 -11.482 -3.494 1.00 31.12 C ATOM 0 H VAL A 44 6.119 -8.331 -4.728 1.00 62.43 H new ATOM 0 HA VAL A 44 5.658 -10.914 -3.426 1.00 0.13 H new ATOM 0 HB VAL A 44 7.307 -10.834 -5.217 1.00 23.33 H new ATOM 0 HG11 VAL A 44 9.372 -9.490 -5.059 1.00 64.24 H new ATOM 0 HG12 VAL A 44 7.912 -8.477 -5.146 1.00 64.24 H new ATOM 0 HG13 VAL A 44 8.740 -8.711 -3.589 1.00 64.24 H new ATOM 0 HG21 VAL A 44 9.293 -11.727 -4.046 1.00 31.12 H new ATOM 0 HG22 VAL A 44 8.652 -11.104 -2.507 1.00 31.12 H new ATOM 0 HG23 VAL A 44 7.773 -12.377 -3.386 1.00 31.12 H new ATOM 717 N GLU A 45 5.950 -10.192 -1.080 1.00 73.32 N ATOM 718 CA GLU A 45 6.191 -9.894 0.344 1.00 23.23 C ATOM 719 C GLU A 45 7.358 -10.736 0.897 1.00 23.30 C ATOM 720 O GLU A 45 7.432 -11.007 2.096 1.00 14.22 O ATOM 721 CB GLU A 45 4.922 -10.174 1.170 1.00 54.42 C ATOM 722 CG GLU A 45 4.484 -11.637 1.148 1.00 34.34 C ATOM 723 CD GLU A 45 3.387 -11.945 2.158 1.00 63.43 C ATOM 724 OE1 GLU A 45 3.715 -12.286 3.315 1.00 4.24 O ATOM 725 OE2 GLU A 45 2.196 -11.867 1.799 1.00 44.13 O ATOM 0 H GLU A 45 5.243 -10.910 -1.241 1.00 73.32 H new ATOM 0 HA GLU A 45 6.453 -8.839 0.424 1.00 23.23 H new ATOM 0 HB2 GLU A 45 5.098 -9.872 2.203 1.00 54.42 H new ATOM 0 HB3 GLU A 45 4.109 -9.555 0.791 1.00 54.42 H new ATOM 0 HG2 GLU A 45 4.131 -11.890 0.148 1.00 34.34 H new ATOM 0 HG3 GLU A 45 5.346 -12.272 1.352 1.00 34.34 H new ATOM 732 N ASN A 46 8.273 -11.117 0.009 1.00 25.33 N ATOM 733 CA ASN A 46 9.373 -12.030 0.337 1.00 34.14 C ATOM 734 C ASN A 46 8.849 -13.402 0.811 1.00 74.03 C ATOM 735 O ASN A 46 8.888 -13.729 1.999 1.00 75.35 O ATOM 736 CB ASN A 46 10.312 -11.402 1.383 1.00 4.41 C ATOM 737 CG ASN A 46 11.559 -12.234 1.625 1.00 73.32 C ATOM 738 OD1 ASN A 46 12.567 -12.078 0.946 1.00 23.22 O ATOM 739 ND2 ASN A 46 11.503 -13.125 2.594 1.00 3.51 N ATOM 0 H ASN A 46 8.275 -10.802 -0.961 1.00 25.33 H new ATOM 0 HA ASN A 46 9.946 -12.199 -0.575 1.00 34.14 H new ATOM 0 HB2 ASN A 46 10.604 -10.405 1.052 1.00 4.41 H new ATOM 0 HB3 ASN A 46 9.773 -11.280 2.323 1.00 4.41 H new ATOM 0 HD21 ASN A 46 12.314 -13.709 2.797 1.00 3.51 H new ATOM 0 HD22 ASN A 46 10.649 -13.230 3.141 1.00 3.51 H new ATOM 746 N THR A 47 8.320 -14.185 -0.131 1.00 63.31 N ATOM 747 CA THR A 47 7.870 -15.558 0.149 1.00 44.33 C ATOM 748 C THR A 47 9.025 -16.543 -0.071 1.00 15.40 C ATOM 749 O THR A 47 9.597 -17.078 0.881 1.00 63.25 O ATOM 750 CB THR A 47 6.668 -15.957 -0.749 1.00 24.05 C ATOM 751 OG1 THR A 47 7.012 -15.810 -2.137 1.00 72.50 O ATOM 752 CG2 THR A 47 5.446 -15.098 -0.442 1.00 14.54 C ATOM 0 H THR A 47 8.191 -13.894 -1.100 1.00 63.31 H new ATOM 0 HA THR A 47 7.546 -15.596 1.189 1.00 44.33 H new ATOM 0 HB THR A 47 6.428 -16.999 -0.539 1.00 24.05 H new ATOM 0 HG1 THR A 47 6.247 -16.066 -2.693 1.00 72.50 H new ATOM 0 HG21 THR A 47 4.619 -15.399 -1.085 1.00 14.54 H new ATOM 0 HG22 THR A 47 5.161 -15.231 0.602 1.00 14.54 H new ATOM 0 HG23 THR A 47 5.683 -14.050 -0.623 1.00 14.54 H new ATOM 760 N ALA A 48 9.360 -16.774 -1.334 1.00 13.31 N ATOM 761 CA ALA A 48 10.582 -17.488 -1.706 1.00 52.43 C ATOM 762 C ALA A 48 11.715 -16.472 -1.925 1.00 3.32 C ATOM 763 O ALA A 48 11.842 -15.507 -1.167 1.00 52.21 O ATOM 764 CB ALA A 48 10.333 -18.320 -2.963 1.00 32.31 C ATOM 0 H ALA A 48 8.797 -16.474 -2.130 1.00 13.31 H new ATOM 0 HA ALA A 48 10.876 -18.168 -0.906 1.00 52.43 H new ATOM 0 HB1 ALA A 48 11.246 -18.849 -3.236 1.00 32.31 H new ATOM 0 HB2 ALA A 48 9.539 -19.041 -2.770 1.00 32.31 H new ATOM 0 HB3 ALA A 48 10.036 -17.664 -3.781 1.00 32.31 H new ATOM 770 N ASN A 49 12.554 -16.691 -2.932 1.00 53.54 N ATOM 771 CA ASN A 49 13.550 -15.690 -3.318 1.00 74.32 C ATOM 772 C ASN A 49 12.860 -14.459 -3.943 1.00 21.31 C ATOM 773 O ASN A 49 11.835 -14.591 -4.616 1.00 71.31 O ATOM 774 CB ASN A 49 14.556 -16.306 -4.290 1.00 63.41 C ATOM 775 CG ASN A 49 15.230 -17.531 -3.704 1.00 61.33 C ATOM 776 OD1 ASN A 49 14.737 -18.644 -3.835 1.00 24.24 O ATOM 777 ND2 ASN A 49 16.355 -17.337 -3.045 1.00 62.02 N ATOM 0 H ASN A 49 12.567 -17.543 -3.493 1.00 53.54 H new ATOM 0 HA ASN A 49 14.087 -15.359 -2.429 1.00 74.32 H new ATOM 0 HB2 ASN A 49 14.047 -16.579 -5.215 1.00 63.41 H new ATOM 0 HB3 ASN A 49 15.312 -15.564 -4.549 1.00 63.41 H new ATOM 0 HD21 ASN A 49 16.843 -18.128 -2.625 1.00 62.02 H new ATOM 0 HD22 ASN A 49 16.738 -16.396 -2.955 1.00 62.02 H new ATOM 784 N PRO A 50 13.423 -13.247 -3.750 1.00 41.54 N ATOM 785 CA PRO A 50 12.767 -11.978 -4.136 1.00 24.52 C ATOM 786 C PRO A 50 12.277 -11.919 -5.599 1.00 24.42 C ATOM 787 O PRO A 50 11.304 -11.229 -5.903 1.00 0.23 O ATOM 788 CB PRO A 50 13.856 -10.912 -3.882 1.00 71.31 C ATOM 789 CG PRO A 50 15.132 -11.672 -3.716 1.00 42.21 C ATOM 790 CD PRO A 50 14.744 -13.006 -3.144 1.00 32.13 C ATOM 0 HA PRO A 50 11.852 -11.836 -3.561 1.00 24.52 H new ATOM 0 HB2 PRO A 50 13.922 -10.213 -4.716 1.00 71.31 H new ATOM 0 HB3 PRO A 50 13.630 -10.326 -2.991 1.00 71.31 H new ATOM 0 HG2 PRO A 50 15.644 -11.790 -4.671 1.00 42.21 H new ATOM 0 HG3 PRO A 50 15.817 -11.146 -3.051 1.00 42.21 H new ATOM 0 HD2 PRO A 50 15.459 -13.784 -3.410 1.00 32.13 H new ATOM 0 HD3 PRO A 50 14.691 -12.980 -2.056 1.00 32.13 H new ATOM 798 N HIS A 51 12.942 -12.640 -6.504 1.00 64.04 N ATOM 799 CA HIS A 51 12.595 -12.589 -7.936 1.00 23.22 C ATOM 800 C HIS A 51 11.782 -13.815 -8.390 1.00 23.04 C ATOM 801 O HIS A 51 11.547 -14.005 -9.583 1.00 11.55 O ATOM 802 CB HIS A 51 13.873 -12.454 -8.770 1.00 5.01 C ATOM 803 CG HIS A 51 14.670 -11.236 -8.420 1.00 63.04 C ATOM 804 ND1 HIS A 51 15.911 -11.289 -7.823 1.00 41.44 N ATOM 805 CD2 HIS A 51 14.385 -9.918 -8.566 1.00 72.10 C ATOM 806 CE1 HIS A 51 16.352 -10.064 -7.614 1.00 75.41 C ATOM 807 NE2 HIS A 51 15.447 -9.213 -8.057 1.00 42.53 N ATOM 0 H HIS A 51 13.718 -13.263 -6.279 1.00 64.04 H new ATOM 0 HA HIS A 51 11.959 -11.717 -8.091 1.00 23.22 H new ATOM 0 HB2 HIS A 51 14.491 -13.340 -8.625 1.00 5.01 H new ATOM 0 HB3 HIS A 51 13.609 -12.418 -9.827 1.00 5.01 H new ATOM 0 HD2 HIS A 51 13.489 -9.501 -9.002 1.00 72.10 H new ATOM 0 HE1 HIS A 51 17.295 -9.802 -7.157 1.00 75.41 H new ATOM 0 HE2 HIS A 51 15.524 -8.196 -8.026 1.00 42.53 H new ATOM 816 N PHE A 52 11.338 -14.634 -7.442 1.00 53.32 N ATOM 817 CA PHE A 52 10.518 -15.815 -7.758 1.00 44.10 C ATOM 818 C PHE A 52 9.041 -15.588 -7.397 1.00 33.00 C ATOM 819 O PHE A 52 8.370 -16.468 -6.850 1.00 2.21 O ATOM 820 CB PHE A 52 11.074 -17.053 -7.035 1.00 64.44 C ATOM 821 CG PHE A 52 12.331 -17.598 -7.670 1.00 1.11 C ATOM 822 CD1 PHE A 52 13.540 -16.930 -7.535 1.00 13.42 C ATOM 823 CD2 PHE A 52 12.302 -18.776 -8.409 1.00 31.42 C ATOM 824 CE1 PHE A 52 14.689 -17.421 -8.124 1.00 63.14 C ATOM 825 CE2 PHE A 52 13.450 -19.270 -9.000 1.00 0.45 C ATOM 826 CZ PHE A 52 14.645 -18.593 -8.855 1.00 72.42 C ATOM 0 H PHE A 52 11.528 -14.508 -6.448 1.00 53.32 H new ATOM 0 HA PHE A 52 10.567 -15.984 -8.834 1.00 44.10 H new ATOM 0 HB2 PHE A 52 11.281 -16.796 -5.996 1.00 64.44 H new ATOM 0 HB3 PHE A 52 10.312 -17.833 -7.025 1.00 64.44 H new ATOM 0 HD1 PHE A 52 13.583 -16.015 -6.963 1.00 13.42 H new ATOM 0 HD2 PHE A 52 11.371 -19.311 -8.523 1.00 31.42 H new ATOM 0 HE1 PHE A 52 15.622 -16.889 -8.013 1.00 63.14 H new ATOM 0 HE2 PHE A 52 13.412 -20.184 -9.574 1.00 0.45 H new ATOM 0 HZ PHE A 52 15.544 -18.979 -9.312 1.00 72.42 H new ATOM 836 N VAL A 53 8.533 -14.405 -7.730 1.00 25.32 N ATOM 837 CA VAL A 53 7.141 -14.050 -7.443 1.00 11.42 C ATOM 838 C VAL A 53 6.188 -14.509 -8.568 1.00 70.05 C ATOM 839 O VAL A 53 6.037 -13.846 -9.598 1.00 30.42 O ATOM 840 CB VAL A 53 6.984 -12.525 -7.188 1.00 14.35 C ATOM 841 CG1 VAL A 53 7.572 -11.706 -8.337 1.00 75.23 C ATOM 842 CG2 VAL A 53 5.518 -12.158 -6.949 1.00 32.11 C ATOM 0 H VAL A 53 9.064 -13.672 -8.200 1.00 25.32 H new ATOM 0 HA VAL A 53 6.863 -14.579 -6.532 1.00 11.42 H new ATOM 0 HB VAL A 53 7.545 -12.281 -6.286 1.00 14.35 H new ATOM 0 HG11 VAL A 53 7.446 -10.644 -8.128 1.00 75.23 H new ATOM 0 HG12 VAL A 53 8.633 -11.933 -8.439 1.00 75.23 H new ATOM 0 HG13 VAL A 53 7.056 -11.957 -9.264 1.00 75.23 H new ATOM 0 HG21 VAL A 53 5.435 -11.085 -6.773 1.00 32.11 H new ATOM 0 HG22 VAL A 53 4.928 -12.429 -7.825 1.00 32.11 H new ATOM 0 HG23 VAL A 53 5.145 -12.698 -6.079 1.00 32.11 H new ATOM 852 N ARG A 54 5.563 -15.668 -8.370 1.00 50.42 N ATOM 853 CA ARG A 54 4.592 -16.201 -9.332 1.00 62.15 C ATOM 854 C ARG A 54 3.153 -15.828 -8.951 1.00 42.34 C ATOM 855 O ARG A 54 2.355 -15.454 -9.809 1.00 4.25 O ATOM 856 CB ARG A 54 4.723 -17.726 -9.444 1.00 75.15 C ATOM 857 CG ARG A 54 6.007 -18.185 -10.128 1.00 23.44 C ATOM 858 CD ARG A 54 6.086 -17.683 -11.567 1.00 64.44 C ATOM 859 NE ARG A 54 7.296 -18.141 -12.245 1.00 12.22 N ATOM 860 CZ ARG A 54 7.917 -17.467 -13.174 1.00 70.20 C ATOM 861 NH1 ARG A 54 7.451 -16.332 -13.590 1.00 12.22 N ATOM 862 NH2 ARG A 54 8.997 -17.941 -13.697 1.00 24.14 N ATOM 0 H ARG A 54 5.710 -16.259 -7.552 1.00 50.42 H new ATOM 0 HA ARG A 54 4.814 -15.750 -10.299 1.00 62.15 H new ATOM 0 HB2 ARG A 54 4.680 -18.159 -8.445 1.00 75.15 H new ATOM 0 HB3 ARG A 54 3.868 -18.115 -9.998 1.00 75.15 H new ATOM 0 HG2 ARG A 54 6.869 -17.822 -9.567 1.00 23.44 H new ATOM 0 HG3 ARG A 54 6.056 -19.274 -10.118 1.00 23.44 H new ATOM 0 HD2 ARG A 54 5.211 -18.026 -12.118 1.00 64.44 H new ATOM 0 HD3 ARG A 54 6.059 -16.593 -11.572 1.00 64.44 H new ATOM 0 HE ARG A 54 7.680 -19.046 -11.975 1.00 12.22 H new ATOM 0 HH11 ARG A 54 6.591 -15.957 -13.191 1.00 12.22 H new ATOM 0 HH12 ARG A 54 7.945 -15.814 -14.317 1.00 12.22 H new ATOM 0 HH21 ARG A 54 9.363 -18.840 -13.384 1.00 24.14 H new ATOM 0 HH22 ARG A 54 9.485 -17.417 -14.423 1.00 24.14 H new ATOM 876 N ARG A 55 2.821 -15.930 -7.664 1.00 71.05 N ATOM 877 CA ARG A 55 1.467 -15.604 -7.200 1.00 34.03 C ATOM 878 C ARG A 55 1.173 -14.097 -7.344 1.00 0.25 C ATOM 879 O ARG A 55 1.943 -13.249 -6.888 1.00 33.33 O ATOM 880 CB ARG A 55 1.257 -16.033 -5.734 1.00 12.41 C ATOM 881 CG ARG A 55 2.047 -15.204 -4.724 1.00 33.22 C ATOM 882 CD ARG A 55 1.579 -15.434 -3.286 1.00 21.14 C ATOM 883 NE ARG A 55 2.177 -14.463 -2.371 1.00 3.03 N ATOM 884 CZ ARG A 55 1.691 -14.140 -1.201 1.00 15.00 C ATOM 885 NH1 ARG A 55 0.633 -14.716 -0.727 1.00 14.14 N ATOM 886 NH2 ARG A 55 2.275 -13.223 -0.508 1.00 22.33 N ATOM 0 H ARG A 55 3.461 -16.232 -6.929 1.00 71.05 H new ATOM 0 HA ARG A 55 0.773 -16.160 -7.831 1.00 34.03 H new ATOM 0 HB2 ARG A 55 0.196 -15.964 -5.495 1.00 12.41 H new ATOM 0 HB3 ARG A 55 1.540 -17.080 -5.629 1.00 12.41 H new ATOM 0 HG2 ARG A 55 3.105 -15.453 -4.803 1.00 33.22 H new ATOM 0 HG3 ARG A 55 1.949 -14.147 -4.970 1.00 33.22 H new ATOM 0 HD2 ARG A 55 0.493 -15.360 -3.239 1.00 21.14 H new ATOM 0 HD3 ARG A 55 1.844 -16.444 -2.972 1.00 21.14 H new ATOM 0 HE ARG A 55 3.038 -14.003 -2.668 1.00 3.03 H new ATOM 0 HH11 ARG A 55 0.160 -15.439 -1.269 1.00 14.14 H new ATOM 0 HH12 ARG A 55 0.273 -14.447 0.189 1.00 14.14 H new ATOM 0 HH21 ARG A 55 3.106 -12.759 -0.874 1.00 22.33 H new ATOM 0 HH22 ARG A 55 1.906 -12.962 0.406 1.00 22.33 H new ATOM 900 N ASN A 56 0.058 -13.772 -7.985 1.00 14.22 N ATOM 901 CA ASN A 56 -0.407 -12.383 -8.078 1.00 74.31 C ATOM 902 C ASN A 56 -1.614 -12.154 -7.155 1.00 53.54 C ATOM 903 O ASN A 56 -2.318 -11.148 -7.263 1.00 35.41 O ATOM 904 CB ASN A 56 -0.747 -12.027 -9.535 1.00 44.25 C ATOM 905 CG ASN A 56 -1.601 -13.080 -10.221 1.00 1.40 C ATOM 906 OD1 ASN A 56 -2.390 -13.775 -9.587 1.00 40.24 O ATOM 907 ND2 ASN A 56 -1.447 -13.212 -11.523 1.00 31.33 N ATOM 0 H ASN A 56 -0.546 -14.449 -8.451 1.00 14.22 H new ATOM 0 HA ASN A 56 0.396 -11.724 -7.748 1.00 74.31 H new ATOM 0 HB2 ASN A 56 -1.271 -11.072 -9.557 1.00 44.25 H new ATOM 0 HB3 ASN A 56 0.178 -11.896 -10.096 1.00 44.25 H new ATOM 0 HD21 ASN A 56 -1.992 -13.907 -12.033 1.00 31.33 H new ATOM 0 HD22 ASN A 56 -0.783 -12.619 -12.021 1.00 31.33 H new ATOM 914 N ILE A 57 -1.832 -13.095 -6.234 1.00 4.50 N ATOM 915 CA ILE A 57 -2.940 -13.014 -5.279 1.00 71.33 C ATOM 916 C ILE A 57 -2.557 -12.143 -4.074 1.00 43.53 C ATOM 917 O ILE A 57 -1.880 -12.599 -3.149 1.00 41.43 O ATOM 918 CB ILE A 57 -3.384 -14.417 -4.768 1.00 0.51 C ATOM 919 CG1 ILE A 57 -3.814 -15.335 -5.930 1.00 71.51 C ATOM 920 CG2 ILE A 57 -4.522 -14.284 -3.754 1.00 32.13 C ATOM 921 CD1 ILE A 57 -2.665 -15.858 -6.766 1.00 44.12 C ATOM 0 H ILE A 57 -1.252 -13.927 -6.129 1.00 4.50 H new ATOM 0 HA ILE A 57 -3.776 -12.563 -5.814 1.00 71.33 H new ATOM 0 HB ILE A 57 -2.524 -14.875 -4.279 1.00 0.51 H new ATOM 0 HG12 ILE A 57 -4.368 -16.181 -5.524 1.00 71.51 H new ATOM 0 HG13 ILE A 57 -4.499 -14.787 -6.577 1.00 71.51 H new ATOM 0 HG21 ILE A 57 -4.819 -15.274 -3.408 1.00 32.13 H new ATOM 0 HG22 ILE A 57 -4.185 -13.689 -2.905 1.00 32.13 H new ATOM 0 HG23 ILE A 57 -5.374 -13.794 -4.225 1.00 32.13 H new ATOM 0 HD11 ILE A 57 -3.054 -16.495 -7.561 1.00 44.12 H new ATOM 0 HD12 ILE A 57 -2.123 -15.020 -7.205 1.00 44.12 H new ATOM 0 HD13 ILE A 57 -1.990 -16.436 -6.135 1.00 44.12 H new ATOM 933 N ILE A 58 -2.973 -10.887 -4.104 1.00 3.32 N ATOM 934 CA ILE A 58 -2.703 -9.962 -3.006 1.00 53.53 C ATOM 935 C ILE A 58 -3.695 -10.175 -1.848 1.00 61.12 C ATOM 936 O ILE A 58 -4.874 -9.840 -1.956 1.00 24.41 O ATOM 937 CB ILE A 58 -2.775 -8.491 -3.494 1.00 40.22 C ATOM 938 CG1 ILE A 58 -1.791 -8.260 -4.655 1.00 52.14 C ATOM 939 CG2 ILE A 58 -2.487 -7.527 -2.347 1.00 31.33 C ATOM 940 CD1 ILE A 58 -1.820 -6.851 -5.215 1.00 12.12 C ATOM 0 H ILE A 58 -3.500 -10.481 -4.877 1.00 3.32 H new ATOM 0 HA ILE A 58 -1.695 -10.165 -2.644 1.00 53.53 H new ATOM 0 HB ILE A 58 -3.786 -8.299 -3.855 1.00 40.22 H new ATOM 0 HG12 ILE A 58 -0.781 -8.483 -4.312 1.00 52.14 H new ATOM 0 HG13 ILE A 58 -2.018 -8.963 -5.456 1.00 52.14 H new ATOM 0 HG21 ILE A 58 -2.543 -6.501 -2.711 1.00 31.33 H new ATOM 0 HG22 ILE A 58 -3.223 -7.672 -1.556 1.00 31.33 H new ATOM 0 HG23 ILE A 58 -1.489 -7.718 -1.953 1.00 31.33 H new ATOM 0 HD11 ILE A 58 -1.100 -6.768 -6.029 1.00 12.12 H new ATOM 0 HD12 ILE A 58 -2.819 -6.629 -5.591 1.00 12.12 H new ATOM 0 HD13 ILE A 58 -1.562 -6.142 -4.429 1.00 12.12 H new ATOM 952 N THR A 59 -3.220 -10.756 -0.747 1.00 11.41 N ATOM 953 CA THR A 59 -4.079 -11.023 0.419 1.00 71.34 C ATOM 954 C THR A 59 -3.997 -9.893 1.457 1.00 35.04 C ATOM 955 O THR A 59 -3.006 -9.162 1.523 1.00 63.11 O ATOM 956 CB THR A 59 -3.712 -12.366 1.100 1.00 62.04 C ATOM 957 OG1 THR A 59 -4.615 -12.641 2.187 1.00 31.35 O ATOM 958 CG2 THR A 59 -2.276 -12.352 1.622 1.00 32.52 C ATOM 0 H THR A 59 -2.251 -11.052 -0.632 1.00 11.41 H new ATOM 0 HA THR A 59 -5.100 -11.082 0.041 1.00 71.34 H new ATOM 0 HB THR A 59 -3.799 -13.150 0.348 1.00 62.04 H new ATOM 0 HG1 THR A 59 -4.372 -13.493 2.606 1.00 31.35 H new ATOM 0 HG21 THR A 59 -2.051 -13.309 2.094 1.00 32.52 H new ATOM 0 HG22 THR A 59 -1.589 -12.186 0.792 1.00 32.52 H new ATOM 0 HG23 THR A 59 -2.162 -11.551 2.353 1.00 32.52 H new ATOM 966 N ARG A 60 -5.039 -9.759 2.275 1.00 54.11 N ATOM 967 CA ARG A 60 -5.091 -8.708 3.295 1.00 21.34 C ATOM 968 C ARG A 60 -3.986 -8.903 4.351 1.00 74.11 C ATOM 969 O ARG A 60 -3.977 -9.897 5.079 1.00 33.14 O ATOM 970 CB ARG A 60 -6.469 -8.701 3.964 1.00 54.33 C ATOM 971 CG ARG A 60 -6.628 -7.625 5.033 1.00 1.54 C ATOM 972 CD ARG A 60 -7.978 -7.712 5.731 1.00 45.30 C ATOM 973 NE ARG A 60 -8.125 -6.696 6.773 1.00 34.14 N ATOM 974 CZ ARG A 60 -8.289 -6.963 8.039 1.00 14.24 C ATOM 975 NH1 ARG A 60 -8.278 -8.188 8.459 1.00 23.11 N ATOM 976 NH2 ARG A 60 -8.456 -6.003 8.892 1.00 72.14 N ATOM 0 H ARG A 60 -5.860 -10.364 2.253 1.00 54.11 H new ATOM 0 HA ARG A 60 -4.923 -7.748 2.807 1.00 21.34 H new ATOM 0 HB2 ARG A 60 -7.233 -8.557 3.200 1.00 54.33 H new ATOM 0 HB3 ARG A 60 -6.649 -9.677 4.414 1.00 54.33 H new ATOM 0 HG2 ARG A 60 -5.831 -7.725 5.770 1.00 1.54 H new ATOM 0 HG3 ARG A 60 -6.518 -6.641 4.577 1.00 1.54 H new ATOM 0 HD2 ARG A 60 -8.774 -7.594 4.996 1.00 45.30 H new ATOM 0 HD3 ARG A 60 -8.095 -8.702 6.172 1.00 45.30 H new ATOM 0 HE ARG A 60 -8.097 -5.716 6.491 1.00 34.14 H new ATOM 0 HH11 ARG A 60 -8.140 -8.953 7.798 1.00 23.11 H new ATOM 0 HH12 ARG A 60 -8.407 -8.388 9.451 1.00 23.11 H new ATOM 0 HH21 ARG A 60 -8.460 -5.034 8.575 1.00 72.14 H new ATOM 0 HH22 ARG A 60 -8.584 -6.216 9.881 1.00 72.14 H new ATOM 990 N GLY A 61 -3.065 -7.948 4.428 1.00 55.22 N ATOM 991 CA GLY A 61 -1.928 -8.057 5.343 1.00 55.42 C ATOM 992 C GLY A 61 -0.598 -8.202 4.613 1.00 12.34 C ATOM 993 O GLY A 61 0.470 -8.002 5.201 1.00 41.34 O ATOM 0 H GLY A 61 -3.081 -7.093 3.872 1.00 55.22 H new ATOM 0 HA2 GLY A 61 -1.894 -7.173 5.980 1.00 55.42 H new ATOM 0 HA3 GLY A 61 -2.074 -8.916 5.997 1.00 55.42 H new ATOM 997 N ALA A 62 -0.666 -8.540 3.324 1.00 74.23 N ATOM 998 CA ALA A 62 0.530 -8.689 2.487 1.00 42.32 C ATOM 999 C ALA A 62 1.236 -7.343 2.250 1.00 31.42 C ATOM 1000 O ALA A 62 0.603 -6.285 2.246 1.00 4.42 O ATOM 1001 CB ALA A 62 0.160 -9.331 1.152 1.00 24.42 C ATOM 0 H ALA A 62 -1.542 -8.717 2.833 1.00 74.23 H new ATOM 0 HA ALA A 62 1.226 -9.336 3.020 1.00 42.32 H new ATOM 0 HB1 ALA A 62 1.055 -9.437 0.539 1.00 24.42 H new ATOM 0 HB2 ALA A 62 -0.277 -10.314 1.330 1.00 24.42 H new ATOM 0 HB3 ALA A 62 -0.563 -8.701 0.633 1.00 24.42 H new ATOM 1007 N VAL A 63 2.550 -7.393 2.059 1.00 15.45 N ATOM 1008 CA VAL A 63 3.346 -6.187 1.805 1.00 3.50 C ATOM 1009 C VAL A 63 3.734 -6.077 0.322 1.00 62.22 C ATOM 1010 O VAL A 63 4.468 -6.916 -0.203 1.00 1.42 O ATOM 1011 CB VAL A 63 4.629 -6.170 2.674 1.00 10.21 C ATOM 1012 CG1 VAL A 63 5.442 -4.898 2.428 1.00 44.14 C ATOM 1013 CG2 VAL A 63 4.278 -6.317 4.156 1.00 41.34 C ATOM 0 H VAL A 63 3.092 -8.257 2.074 1.00 15.45 H new ATOM 0 HA VAL A 63 2.724 -5.332 2.072 1.00 3.50 H new ATOM 0 HB VAL A 63 5.246 -7.020 2.384 1.00 10.21 H new ATOM 0 HG11 VAL A 63 6.337 -4.912 3.050 1.00 44.14 H new ATOM 0 HG12 VAL A 63 5.731 -4.848 1.378 1.00 44.14 H new ATOM 0 HG13 VAL A 63 4.838 -4.026 2.680 1.00 44.14 H new ATOM 0 HG21 VAL A 63 5.192 -6.303 4.750 1.00 41.34 H new ATOM 0 HG22 VAL A 63 3.634 -5.492 4.461 1.00 41.34 H new ATOM 0 HG23 VAL A 63 3.757 -7.261 4.315 1.00 41.34 H new ATOM 1023 N VAL A 64 3.227 -5.043 -0.350 1.00 72.13 N ATOM 1024 CA VAL A 64 3.542 -4.803 -1.765 1.00 62.15 C ATOM 1025 C VAL A 64 4.537 -3.642 -1.943 1.00 34.34 C ATOM 1026 O VAL A 64 4.499 -2.653 -1.210 1.00 32.12 O ATOM 1027 CB VAL A 64 2.258 -4.511 -2.590 1.00 23.12 C ATOM 1028 CG1 VAL A 64 1.317 -5.717 -2.573 1.00 74.33 C ATOM 1029 CG2 VAL A 64 1.541 -3.259 -2.077 1.00 55.04 C ATOM 0 H VAL A 64 2.595 -4.355 0.060 1.00 72.13 H new ATOM 0 HA VAL A 64 4.005 -5.717 -2.136 1.00 62.15 H new ATOM 0 HB VAL A 64 2.560 -4.325 -3.621 1.00 23.12 H new ATOM 0 HG11 VAL A 64 0.425 -5.491 -3.157 1.00 74.33 H new ATOM 0 HG12 VAL A 64 1.824 -6.580 -3.005 1.00 74.33 H new ATOM 0 HG13 VAL A 64 1.031 -5.941 -1.545 1.00 74.33 H new ATOM 0 HG21 VAL A 64 0.647 -3.081 -2.674 1.00 55.04 H new ATOM 0 HG22 VAL A 64 1.258 -3.403 -1.034 1.00 55.04 H new ATOM 0 HG23 VAL A 64 2.207 -2.400 -2.157 1.00 55.04 H new ATOM 1039 N GLU A 65 5.434 -3.778 -2.918 1.00 54.42 N ATOM 1040 CA GLU A 65 6.418 -2.734 -3.233 1.00 10.01 C ATOM 1041 C GLU A 65 5.835 -1.731 -4.245 1.00 51.52 C ATOM 1042 O GLU A 65 5.518 -2.094 -5.379 1.00 1.25 O ATOM 1043 CB GLU A 65 7.694 -3.375 -3.805 1.00 51.23 C ATOM 1044 CG GLU A 65 8.801 -2.380 -4.154 1.00 0.22 C ATOM 1045 CD GLU A 65 9.418 -1.701 -2.936 1.00 41.03 C ATOM 1046 OE1 GLU A 65 8.805 -0.755 -2.401 1.00 2.24 O ATOM 1047 OE2 GLU A 65 10.533 -2.095 -2.526 1.00 23.42 O ATOM 0 H GLU A 65 5.503 -4.606 -3.510 1.00 54.42 H new ATOM 0 HA GLU A 65 6.665 -2.198 -2.316 1.00 10.01 H new ATOM 0 HB2 GLU A 65 8.082 -4.091 -3.081 1.00 51.23 H new ATOM 0 HB3 GLU A 65 7.433 -3.938 -4.701 1.00 51.23 H new ATOM 0 HG2 GLU A 65 9.584 -2.900 -4.706 1.00 0.22 H new ATOM 0 HG3 GLU A 65 8.396 -1.617 -4.819 1.00 0.22 H new ATOM 1054 N THR A 66 5.689 -0.474 -3.834 1.00 31.25 N ATOM 1055 CA THR A 66 5.095 0.564 -4.696 1.00 10.02 C ATOM 1056 C THR A 66 6.103 1.666 -5.037 1.00 54.50 C ATOM 1057 O THR A 66 7.229 1.675 -4.538 1.00 52.53 O ATOM 1058 CB THR A 66 3.863 1.230 -4.035 1.00 74.52 C ATOM 1059 OG1 THR A 66 4.275 2.025 -2.912 1.00 1.41 O ATOM 1060 CG2 THR A 66 2.849 0.182 -3.580 1.00 12.52 C ATOM 0 H THR A 66 5.971 -0.142 -2.912 1.00 31.25 H new ATOM 0 HA THR A 66 4.789 0.050 -5.607 1.00 10.02 H new ATOM 0 HB THR A 66 3.387 1.870 -4.778 1.00 74.52 H new ATOM 0 HG1 THR A 66 4.891 1.507 -2.353 1.00 1.41 H new ATOM 0 HG21 THR A 66 1.995 0.678 -3.120 1.00 12.52 H new ATOM 0 HG22 THR A 66 2.512 -0.396 -4.440 1.00 12.52 H new ATOM 0 HG23 THR A 66 3.315 -0.485 -2.855 1.00 12.52 H new ATOM 1068 N ASN A 67 5.683 2.609 -5.879 1.00 2.45 N ATOM 1069 CA ASN A 67 6.538 3.736 -6.284 1.00 2.33 C ATOM 1070 C ASN A 67 6.867 4.673 -5.103 1.00 23.34 C ATOM 1071 O ASN A 67 7.746 5.530 -5.205 1.00 63.22 O ATOM 1072 CB ASN A 67 5.865 4.527 -7.415 1.00 51.33 C ATOM 1073 CG ASN A 67 4.502 5.070 -7.021 1.00 22.15 C ATOM 1074 OD1 ASN A 67 3.797 4.488 -6.206 1.00 44.22 O ATOM 1075 ND2 ASN A 67 4.118 6.185 -7.601 1.00 5.02 N ATOM 0 H ASN A 67 4.753 2.619 -6.298 1.00 2.45 H new ATOM 0 HA ASN A 67 7.480 3.319 -6.639 1.00 2.33 H new ATOM 0 HB2 ASN A 67 6.511 5.355 -7.708 1.00 51.33 H new ATOM 0 HB3 ASN A 67 5.757 3.884 -8.288 1.00 51.33 H new ATOM 0 HD21 ASN A 67 3.209 6.590 -7.376 1.00 5.02 H new ATOM 0 HD22 ASN A 67 4.729 6.645 -8.276 1.00 5.02 H new ATOM 1082 N LEU A 68 6.147 4.515 -3.991 1.00 60.11 N ATOM 1083 CA LEU A 68 6.391 5.309 -2.776 1.00 11.42 C ATOM 1084 C LEU A 68 7.107 4.475 -1.694 1.00 72.24 C ATOM 1085 O LEU A 68 7.695 5.017 -0.754 1.00 74.02 O ATOM 1086 CB LEU A 68 5.057 5.848 -2.232 1.00 2.34 C ATOM 1087 CG LEU A 68 4.250 6.725 -3.209 1.00 42.31 C ATOM 1088 CD1 LEU A 68 2.932 7.171 -2.574 1.00 63.05 C ATOM 1089 CD2 LEU A 68 5.072 7.934 -3.656 1.00 23.40 C ATOM 0 H LEU A 68 5.386 3.842 -3.903 1.00 60.11 H new ATOM 0 HA LEU A 68 7.041 6.143 -3.039 1.00 11.42 H new ATOM 0 HB2 LEU A 68 4.438 5.002 -1.933 1.00 2.34 H new ATOM 0 HB3 LEU A 68 5.259 6.428 -1.332 1.00 2.34 H new ATOM 0 HG LEU A 68 4.018 6.127 -4.090 1.00 42.31 H new ATOM 0 HD11 LEU A 68 2.378 7.789 -3.281 1.00 63.05 H new ATOM 0 HD12 LEU A 68 2.338 6.295 -2.315 1.00 63.05 H new ATOM 0 HD13 LEU A 68 3.139 7.748 -1.673 1.00 63.05 H new ATOM 0 HD21 LEU A 68 4.483 8.539 -4.345 1.00 23.40 H new ATOM 0 HD22 LEU A 68 5.341 8.533 -2.786 1.00 23.40 H new ATOM 0 HD23 LEU A 68 5.978 7.593 -4.156 1.00 23.40 H new ATOM 1101 N GLY A 69 7.057 3.153 -1.835 1.00 72.42 N ATOM 1102 CA GLY A 69 7.676 2.262 -0.857 1.00 73.41 C ATOM 1103 C GLY A 69 6.824 1.039 -0.544 1.00 0.15 C ATOM 1104 O GLY A 69 5.923 0.689 -1.305 1.00 31.02 O ATOM 0 H GLY A 69 6.598 2.677 -2.611 1.00 72.42 H new ATOM 0 HA2 GLY A 69 8.646 1.936 -1.233 1.00 73.41 H new ATOM 0 HA3 GLY A 69 7.861 2.815 0.064 1.00 73.41 H new ATOM 1108 N ASN A 70 7.100 0.386 0.583 1.00 2.52 N ATOM 1109 CA ASN A 70 6.362 -0.821 0.971 1.00 60.43 C ATOM 1110 C ASN A 70 4.980 -0.462 1.534 1.00 41.33 C ATOM 1111 O ASN A 70 4.844 0.481 2.309 1.00 14.54 O ATOM 1112 CB ASN A 70 7.148 -1.617 2.016 1.00 63.05 C ATOM 1113 CG ASN A 70 8.615 -1.798 1.658 1.00 41.01 C ATOM 1114 OD1 ASN A 70 9.455 -1.919 2.539 1.00 21.35 O ATOM 1115 ND2 ASN A 70 8.943 -1.805 0.379 1.00 34.52 N ATOM 0 H ASN A 70 7.825 0.668 1.243 1.00 2.52 H new ATOM 0 HA ASN A 70 6.230 -1.432 0.078 1.00 60.43 H new ATOM 0 HB2 ASN A 70 7.076 -1.110 2.978 1.00 63.05 H new ATOM 0 HB3 ASN A 70 6.687 -2.597 2.137 1.00 63.05 H new ATOM 0 HD21 ASN A 70 9.919 -1.913 0.103 1.00 34.52 H new ATOM 0 HD22 ASN A 70 8.220 -1.702 -0.333 1.00 34.52 H new ATOM 1122 N VAL A 71 3.957 -1.217 1.145 1.00 25.41 N ATOM 1123 CA VAL A 71 2.584 -0.958 1.600 1.00 63.34 C ATOM 1124 C VAL A 71 1.912 -2.239 2.128 1.00 72.02 C ATOM 1125 O VAL A 71 1.896 -3.263 1.446 1.00 13.24 O ATOM 1126 CB VAL A 71 1.728 -0.362 0.453 1.00 63.33 C ATOM 1127 CG1 VAL A 71 0.306 -0.071 0.917 1.00 64.23 C ATOM 1128 CG2 VAL A 71 2.375 0.902 -0.104 1.00 13.14 C ATOM 0 H VAL A 71 4.047 -2.015 0.516 1.00 25.41 H new ATOM 0 HA VAL A 71 2.647 -0.238 2.416 1.00 63.34 H new ATOM 0 HB VAL A 71 1.677 -1.106 -0.342 1.00 63.33 H new ATOM 0 HG11 VAL A 71 -0.268 0.346 0.090 1.00 64.23 H new ATOM 0 HG12 VAL A 71 -0.163 -0.995 1.255 1.00 64.23 H new ATOM 0 HG13 VAL A 71 0.331 0.645 1.739 1.00 64.23 H new ATOM 0 HG21 VAL A 71 1.757 1.303 -0.908 1.00 13.14 H new ATOM 0 HG22 VAL A 71 2.466 1.644 0.689 1.00 13.14 H new ATOM 0 HG23 VAL A 71 3.365 0.663 -0.492 1.00 13.14 H new ATOM 1138 N ARG A 72 1.357 -2.181 3.343 1.00 12.41 N ATOM 1139 CA ARG A 72 0.656 -3.333 3.927 1.00 34.12 C ATOM 1140 C ARG A 72 -0.845 -3.271 3.615 1.00 44.32 C ATOM 1141 O ARG A 72 -1.549 -2.384 4.095 1.00 15.33 O ATOM 1142 CB ARG A 72 0.865 -3.397 5.448 1.00 64.34 C ATOM 1143 CG ARG A 72 0.378 -4.706 6.067 1.00 71.55 C ATOM 1144 CD ARG A 72 0.612 -4.758 7.577 1.00 12.43 C ATOM 1145 NE ARG A 72 2.011 -4.514 7.938 1.00 53.20 N ATOM 1146 CZ ARG A 72 2.958 -5.416 7.898 1.00 61.44 C ATOM 1147 NH1 ARG A 72 2.727 -6.602 7.429 1.00 33.25 N ATOM 1148 NH2 ARG A 72 4.152 -5.111 8.299 1.00 24.43 N ATOM 0 H ARG A 72 1.378 -1.354 3.940 1.00 12.41 H new ATOM 0 HA ARG A 72 1.076 -4.234 3.479 1.00 34.12 H new ATOM 0 HB2 ARG A 72 1.925 -3.270 5.668 1.00 64.34 H new ATOM 0 HB3 ARG A 72 0.340 -2.564 5.916 1.00 64.34 H new ATOM 0 HG2 ARG A 72 -0.686 -4.828 5.862 1.00 71.55 H new ATOM 0 HG3 ARG A 72 0.892 -5.542 5.593 1.00 71.55 H new ATOM 0 HD2 ARG A 72 -0.020 -4.016 8.065 1.00 12.43 H new ATOM 0 HD3 ARG A 72 0.308 -5.734 7.955 1.00 12.43 H new ATOM 0 HE ARG A 72 2.265 -3.574 8.242 1.00 53.20 H new ATOM 0 HH11 ARG A 72 1.797 -6.842 7.085 1.00 33.25 H new ATOM 0 HH12 ARG A 72 3.475 -7.295 7.404 1.00 33.25 H new ATOM 0 HH21 ARG A 72 4.350 -4.172 8.644 1.00 24.43 H new ATOM 0 HH22 ARG A 72 4.894 -5.810 8.270 1.00 24.43 H new ATOM 1162 N VAL A 73 -1.320 -4.215 2.812 1.00 74.34 N ATOM 1163 CA VAL A 73 -2.721 -4.242 2.375 1.00 34.22 C ATOM 1164 C VAL A 73 -3.704 -4.383 3.554 1.00 12.11 C ATOM 1165 O VAL A 73 -3.666 -5.361 4.302 1.00 24.12 O ATOM 1166 CB VAL A 73 -2.954 -5.391 1.365 1.00 11.12 C ATOM 1167 CG1 VAL A 73 -4.391 -5.395 0.847 1.00 75.23 C ATOM 1168 CG2 VAL A 73 -1.956 -5.292 0.213 1.00 15.44 C ATOM 0 H VAL A 73 -0.755 -4.980 2.445 1.00 74.34 H new ATOM 0 HA VAL A 73 -2.916 -3.284 1.893 1.00 34.22 H new ATOM 0 HB VAL A 73 -2.793 -6.337 1.883 1.00 11.12 H new ATOM 0 HG11 VAL A 73 -4.521 -6.214 0.140 1.00 75.23 H new ATOM 0 HG12 VAL A 73 -5.079 -5.525 1.683 1.00 75.23 H new ATOM 0 HG13 VAL A 73 -4.601 -4.449 0.348 1.00 75.23 H new ATOM 0 HG21 VAL A 73 -2.131 -6.106 -0.491 1.00 15.44 H new ATOM 0 HG22 VAL A 73 -2.083 -4.337 -0.298 1.00 15.44 H new ATOM 0 HG23 VAL A 73 -0.941 -5.362 0.604 1.00 15.44 H new ATOM 1178 N THR A 74 -4.584 -3.397 3.702 1.00 4.13 N ATOM 1179 CA THR A 74 -5.570 -3.373 4.793 1.00 44.51 C ATOM 1180 C THR A 74 -6.937 -3.918 4.359 1.00 55.53 C ATOM 1181 O THR A 74 -7.664 -4.501 5.164 1.00 43.31 O ATOM 1182 CB THR A 74 -5.784 -1.937 5.317 1.00 64.04 C ATOM 1183 OG1 THR A 74 -6.256 -1.099 4.251 1.00 63.21 O ATOM 1184 CG2 THR A 74 -4.493 -1.364 5.886 1.00 65.31 C ATOM 0 H THR A 74 -4.639 -2.593 3.076 1.00 4.13 H new ATOM 0 HA THR A 74 -5.160 -4.011 5.576 1.00 44.51 H new ATOM 0 HB THR A 74 -6.525 -1.970 6.115 1.00 64.04 H new ATOM 0 HG1 THR A 74 -6.393 -0.188 4.587 1.00 63.21 H new ATOM 0 HG21 THR A 74 -4.673 -0.352 6.248 1.00 65.31 H new ATOM 0 HG22 THR A 74 -4.150 -1.989 6.711 1.00 65.31 H new ATOM 0 HG23 THR A 74 -3.731 -1.341 5.107 1.00 65.31 H new ATOM 1192 N SER A 75 -7.291 -3.713 3.095 1.00 2.43 N ATOM 1193 CA SER A 75 -8.607 -4.129 2.578 1.00 15.02 C ATOM 1194 C SER A 75 -8.492 -5.329 1.625 1.00 43.43 C ATOM 1195 O SER A 75 -7.415 -5.903 1.458 1.00 75.24 O ATOM 1196 CB SER A 75 -9.289 -2.952 1.860 1.00 33.11 C ATOM 1197 OG SER A 75 -10.597 -3.292 1.421 1.00 52.32 O ATOM 0 H SER A 75 -6.692 -3.262 2.403 1.00 2.43 H new ATOM 0 HA SER A 75 -9.214 -4.437 3.430 1.00 15.02 H new ATOM 0 HB2 SER A 75 -9.342 -2.096 2.533 1.00 33.11 H new ATOM 0 HB3 SER A 75 -8.685 -2.648 1.005 1.00 33.11 H new ATOM 0 HG SER A 75 -11.002 -2.521 0.971 1.00 52.32 H new ATOM 1203 N ARG A 76 -9.611 -5.709 1.015 1.00 44.24 N ATOM 1204 CA ARG A 76 -9.652 -6.830 0.069 1.00 11.20 C ATOM 1205 C ARG A 76 -9.566 -6.344 -1.388 1.00 1.41 C ATOM 1206 O ARG A 76 -10.480 -5.678 -1.882 1.00 41.20 O ATOM 1207 CB ARG A 76 -10.940 -7.647 0.264 1.00 62.40 C ATOM 1208 CG ARG A 76 -10.912 -8.584 1.468 1.00 65.31 C ATOM 1209 CD ARG A 76 -9.818 -9.638 1.327 1.00 24.15 C ATOM 1210 NE ARG A 76 -10.009 -10.764 2.238 1.00 13.42 N ATOM 1211 CZ ARG A 76 -10.143 -12.002 1.847 1.00 14.30 C ATOM 1212 NH1 ARG A 76 -10.119 -12.297 0.587 1.00 24.14 N ATOM 1213 NH2 ARG A 76 -10.310 -12.945 2.714 1.00 24.01 N ATOM 0 H ARG A 76 -10.513 -5.254 1.158 1.00 44.24 H new ATOM 0 HA ARG A 76 -8.786 -7.460 0.271 1.00 11.20 H new ATOM 0 HB2 ARG A 76 -11.779 -6.960 0.372 1.00 62.40 H new ATOM 0 HB3 ARG A 76 -11.123 -8.235 -0.635 1.00 62.40 H new ATOM 0 HG2 ARG A 76 -10.747 -8.006 2.377 1.00 65.31 H new ATOM 0 HG3 ARG A 76 -11.880 -9.074 1.573 1.00 65.31 H new ATOM 0 HD2 ARG A 76 -9.800 -10.004 0.300 1.00 24.15 H new ATOM 0 HD3 ARG A 76 -8.848 -9.179 1.519 1.00 24.15 H new ATOM 0 HE ARG A 76 -10.039 -10.571 3.239 1.00 13.42 H new ATOM 0 HH11 ARG A 76 -9.995 -11.560 -0.107 1.00 24.14 H new ATOM 0 HH12 ARG A 76 -10.224 -13.267 0.288 1.00 24.14 H new ATOM 0 HH21 ARG A 76 -10.338 -12.724 3.709 1.00 24.01 H new ATOM 0 HH22 ARG A 76 -10.414 -13.911 2.403 1.00 24.01 H new ATOM 1227 N PRO A 77 -8.467 -6.676 -2.099 1.00 63.03 N ATOM 1228 CA PRO A 77 -8.308 -6.330 -3.520 1.00 12.44 C ATOM 1229 C PRO A 77 -9.447 -6.871 -4.391 1.00 72.25 C ATOM 1230 O PRO A 77 -9.688 -8.080 -4.443 1.00 63.45 O ATOM 1231 CB PRO A 77 -6.983 -6.996 -3.914 1.00 55.44 C ATOM 1232 CG PRO A 77 -6.246 -7.150 -2.633 1.00 12.21 C ATOM 1233 CD PRO A 77 -7.293 -7.404 -1.580 1.00 53.40 C ATOM 0 HA PRO A 77 -8.321 -5.250 -3.669 1.00 12.44 H new ATOM 0 HB2 PRO A 77 -7.151 -7.961 -4.393 1.00 55.44 H new ATOM 0 HB3 PRO A 77 -6.425 -6.382 -4.621 1.00 55.44 H new ATOM 0 HG2 PRO A 77 -5.538 -7.977 -2.687 1.00 12.21 H new ATOM 0 HG3 PRO A 77 -5.671 -6.253 -2.403 1.00 12.21 H new ATOM 0 HD2 PRO A 77 -7.497 -8.468 -1.462 1.00 53.40 H new ATOM 0 HD3 PRO A 77 -6.984 -7.029 -0.604 1.00 53.40 H new ATOM 1241 N GLY A 78 -10.147 -5.969 -5.065 1.00 43.32 N ATOM 1242 CA GLY A 78 -11.265 -6.362 -5.916 1.00 44.32 C ATOM 1243 C GLY A 78 -12.521 -5.543 -5.639 1.00 50.40 C ATOM 1244 O GLY A 78 -13.308 -5.264 -6.546 1.00 61.22 O ATOM 0 H GLY A 78 -9.963 -4.966 -5.041 1.00 43.32 H new ATOM 0 HA2 GLY A 78 -10.981 -6.245 -6.962 1.00 44.32 H new ATOM 0 HA3 GLY A 78 -11.482 -7.419 -5.761 1.00 44.32 H new ATOM 1248 N GLN A 79 -12.700 -5.151 -4.379 1.00 25.24 N ATOM 1249 CA GLN A 79 -13.848 -4.334 -3.971 1.00 24.32 C ATOM 1250 C GLN A 79 -13.844 -2.984 -4.706 1.00 22.23 C ATOM 1251 O GLN A 79 -12.932 -2.177 -4.528 1.00 72.04 O ATOM 1252 CB GLN A 79 -13.829 -4.109 -2.451 1.00 24.13 C ATOM 1253 CG GLN A 79 -13.784 -5.399 -1.636 1.00 70.12 C ATOM 1254 CD GLN A 79 -15.000 -6.289 -1.853 1.00 74.24 C ATOM 1255 OE1 GLN A 79 -16.102 -5.810 -2.109 1.00 73.51 O ATOM 1256 NE2 GLN A 79 -14.810 -7.590 -1.748 1.00 1.22 N ATOM 0 H GLN A 79 -12.063 -5.386 -3.618 1.00 25.24 H new ATOM 0 HA GLN A 79 -14.760 -4.869 -4.237 1.00 24.32 H new ATOM 0 HB2 GLN A 79 -12.963 -3.498 -2.195 1.00 24.13 H new ATOM 0 HB3 GLN A 79 -14.715 -3.541 -2.166 1.00 24.13 H new ATOM 0 HG2 GLN A 79 -12.884 -5.955 -1.898 1.00 70.12 H new ATOM 0 HG3 GLN A 79 -13.709 -5.150 -0.578 1.00 70.12 H new ATOM 0 HE21 GLN A 79 -13.882 -7.954 -1.534 1.00 1.22 H new ATOM 0 HE22 GLN A 79 -15.592 -8.232 -1.881 1.00 1.22 H new ATOM 1265 N ASP A 80 -14.854 -2.763 -5.555 1.00 24.15 N ATOM 1266 CA ASP A 80 -14.939 -1.548 -6.385 1.00 62.11 C ATOM 1267 C ASP A 80 -13.732 -1.435 -7.338 1.00 21.23 C ATOM 1268 O ASP A 80 -13.478 -0.382 -7.922 1.00 22.54 O ATOM 1269 CB ASP A 80 -15.043 -0.295 -5.500 1.00 31.12 C ATOM 1270 CG ASP A 80 -16.299 -0.297 -4.643 1.00 34.23 C ATOM 1271 OD1 ASP A 80 -16.292 -0.922 -3.563 1.00 34.44 O ATOM 1272 OD2 ASP A 80 -17.311 0.308 -5.052 1.00 5.04 O ATOM 0 H ASP A 80 -15.630 -3.412 -5.688 1.00 24.15 H new ATOM 0 HA ASP A 80 -15.841 -1.623 -6.993 1.00 62.11 H new ATOM 0 HB2 ASP A 80 -14.166 -0.234 -4.855 1.00 31.12 H new ATOM 0 HB3 ASP A 80 -15.037 0.594 -6.131 1.00 31.12 H new ATOM 1277 N GLY A 81 -13.011 -2.542 -7.506 1.00 41.01 N ATOM 1278 CA GLY A 81 -11.815 -2.553 -8.334 1.00 75.02 C ATOM 1279 C GLY A 81 -10.683 -1.693 -7.773 1.00 11.15 C ATOM 1280 O GLY A 81 -9.994 -1.005 -8.523 1.00 33.34 O ATOM 0 H GLY A 81 -13.237 -3.440 -7.079 1.00 41.01 H new ATOM 0 HA2 GLY A 81 -11.464 -3.580 -8.439 1.00 75.02 H new ATOM 0 HA3 GLY A 81 -12.070 -2.199 -9.333 1.00 75.02 H new ATOM 1284 N VAL A 82 -10.489 -1.726 -6.457 1.00 62.43 N ATOM 1285 CA VAL A 82 -9.412 -0.953 -5.823 1.00 75.21 C ATOM 1286 C VAL A 82 -8.819 -1.684 -4.598 1.00 20.22 C ATOM 1287 O VAL A 82 -9.433 -2.601 -4.048 1.00 71.41 O ATOM 1288 CB VAL A 82 -9.915 0.457 -5.408 1.00 22.34 C ATOM 1289 CG1 VAL A 82 -10.917 0.372 -4.256 1.00 31.31 C ATOM 1290 CG2 VAL A 82 -8.746 1.376 -5.054 1.00 53.41 C ATOM 0 H VAL A 82 -11.056 -2.273 -5.809 1.00 62.43 H new ATOM 0 HA VAL A 82 -8.619 -0.845 -6.563 1.00 75.21 H new ATOM 0 HB VAL A 82 -10.432 0.889 -6.265 1.00 22.34 H new ATOM 0 HG11 VAL A 82 -11.250 1.375 -3.989 1.00 31.31 H new ATOM 0 HG12 VAL A 82 -11.775 -0.226 -4.564 1.00 31.31 H new ATOM 0 HG13 VAL A 82 -10.441 -0.094 -3.393 1.00 31.31 H new ATOM 0 HG21 VAL A 82 -9.127 2.356 -4.767 1.00 53.41 H new ATOM 0 HG22 VAL A 82 -8.185 0.948 -4.223 1.00 53.41 H new ATOM 0 HG23 VAL A 82 -8.091 1.481 -5.919 1.00 53.41 H new ATOM 1300 N ILE A 83 -7.605 -1.290 -4.202 1.00 41.33 N ATOM 1301 CA ILE A 83 -6.914 -1.879 -3.043 1.00 64.15 C ATOM 1302 C ILE A 83 -6.538 -0.791 -2.016 1.00 64.42 C ATOM 1303 O ILE A 83 -6.258 0.345 -2.388 1.00 64.00 O ATOM 1304 CB ILE A 83 -5.619 -2.616 -3.484 1.00 54.52 C ATOM 1305 CG1 ILE A 83 -5.909 -3.562 -4.661 1.00 33.15 C ATOM 1306 CG2 ILE A 83 -5.011 -3.388 -2.312 1.00 62.42 C ATOM 1307 CD1 ILE A 83 -4.684 -4.286 -5.181 1.00 54.42 C ATOM 0 H ILE A 83 -7.073 -0.557 -4.671 1.00 41.33 H new ATOM 0 HA ILE A 83 -7.600 -2.592 -2.585 1.00 64.15 H new ATOM 0 HB ILE A 83 -4.897 -1.869 -3.813 1.00 54.52 H new ATOM 0 HG12 ILE A 83 -6.649 -4.299 -4.349 1.00 33.15 H new ATOM 0 HG13 ILE A 83 -6.353 -2.989 -5.475 1.00 33.15 H new ATOM 0 HG21 ILE A 83 -4.105 -3.897 -2.642 1.00 62.42 H new ATOM 0 HG22 ILE A 83 -4.765 -2.694 -1.508 1.00 62.42 H new ATOM 0 HG23 ILE A 83 -5.729 -4.124 -1.949 1.00 62.42 H new ATOM 0 HD11 ILE A 83 -4.969 -4.934 -6.010 1.00 54.42 H new ATOM 0 HD12 ILE A 83 -3.950 -3.558 -5.525 1.00 54.42 H new ATOM 0 HD13 ILE A 83 -4.251 -4.888 -4.382 1.00 54.42 H new ATOM 1319 N ASN A 84 -6.534 -1.141 -0.728 1.00 11.33 N ATOM 1320 CA ASN A 84 -6.126 -0.201 0.335 1.00 64.12 C ATOM 1321 C ASN A 84 -4.938 -0.757 1.137 1.00 44.52 C ATOM 1322 O ASN A 84 -4.808 -1.972 1.295 1.00 42.30 O ATOM 1323 CB ASN A 84 -7.296 0.079 1.284 1.00 52.04 C ATOM 1324 CG ASN A 84 -8.464 0.757 0.596 1.00 52.41 C ATOM 1325 OD1 ASN A 84 -9.363 0.105 0.077 1.00 63.34 O ATOM 1326 ND2 ASN A 84 -8.459 2.074 0.587 1.00 55.31 N ATOM 0 H ASN A 84 -6.807 -2.064 -0.390 1.00 11.33 H new ATOM 0 HA ASN A 84 -5.821 0.729 -0.145 1.00 64.12 H new ATOM 0 HB2 ASN A 84 -7.634 -0.860 1.722 1.00 52.04 H new ATOM 0 HB3 ASN A 84 -6.949 0.707 2.104 1.00 52.04 H new ATOM 0 HD21 ASN A 84 -9.220 2.584 0.138 1.00 55.31 H new ATOM 0 HD22 ASN A 84 -7.694 2.584 1.029 1.00 55.31 H new ATOM 1333 N GLY A 85 -4.077 0.131 1.648 1.00 33.31 N ATOM 1334 CA GLY A 85 -2.929 -0.308 2.443 1.00 41.22 C ATOM 1335 C GLY A 85 -2.207 0.827 3.179 1.00 22.40 C ATOM 1336 O GLY A 85 -2.435 2.000 2.898 1.00 53.31 O ATOM 0 H GLY A 85 -4.152 1.141 1.527 1.00 33.31 H new ATOM 0 HA2 GLY A 85 -3.266 -1.044 3.173 1.00 41.22 H new ATOM 0 HA3 GLY A 85 -2.218 -0.812 1.788 1.00 41.22 H new ATOM 1340 N VAL A 86 -1.326 0.467 4.122 1.00 52.24 N ATOM 1341 CA VAL A 86 -0.551 1.451 4.908 1.00 45.40 C ATOM 1342 C VAL A 86 0.896 1.578 4.393 1.00 21.30 C ATOM 1343 O VAL A 86 1.526 0.576 4.056 1.00 33.33 O ATOM 1344 CB VAL A 86 -0.497 1.047 6.405 1.00 31.24 C ATOM 1345 CG1 VAL A 86 0.152 2.143 7.250 1.00 11.15 C ATOM 1346 CG2 VAL A 86 -1.887 0.707 6.927 1.00 51.01 C ATOM 0 H VAL A 86 -1.128 -0.504 4.364 1.00 52.24 H new ATOM 0 HA VAL A 86 -1.061 2.408 4.795 1.00 45.40 H new ATOM 0 HB VAL A 86 0.122 0.154 6.487 1.00 31.24 H new ATOM 0 HG11 VAL A 86 0.176 1.831 8.294 1.00 11.15 H new ATOM 0 HG12 VAL A 86 1.169 2.318 6.900 1.00 11.15 H new ATOM 0 HG13 VAL A 86 -0.426 3.063 7.159 1.00 11.15 H new ATOM 0 HG21 VAL A 86 -1.822 0.427 7.978 1.00 51.01 H new ATOM 0 HG22 VAL A 86 -2.538 1.575 6.822 1.00 51.01 H new ATOM 0 HG23 VAL A 86 -2.297 -0.125 6.355 1.00 51.01 H new ATOM 1356 N LEU A 87 1.429 2.803 4.358 1.00 44.22 N ATOM 1357 CA LEU A 87 2.811 3.027 3.904 1.00 21.44 C ATOM 1358 C LEU A 87 3.829 2.672 5.003 1.00 63.53 C ATOM 1359 O LEU A 87 3.987 3.396 5.986 1.00 51.50 O ATOM 1360 CB LEU A 87 3.011 4.484 3.468 1.00 21.14 C ATOM 1361 CG LEU A 87 4.391 4.800 2.863 1.00 21.13 C ATOM 1362 CD1 LEU A 87 4.660 3.933 1.632 1.00 3.32 C ATOM 1363 CD2 LEU A 87 4.494 6.281 2.511 1.00 50.34 C ATOM 0 H LEU A 87 0.932 3.650 4.635 1.00 44.22 H new ATOM 0 HA LEU A 87 2.981 2.371 3.050 1.00 21.44 H new ATOM 0 HB2 LEU A 87 2.244 4.737 2.736 1.00 21.14 H new ATOM 0 HB3 LEU A 87 2.853 5.130 4.331 1.00 21.14 H new ATOM 0 HG LEU A 87 5.150 4.569 3.610 1.00 21.13 H new ATOM 0 HD11 LEU A 87 5.641 4.176 1.223 1.00 3.32 H new ATOM 0 HD12 LEU A 87 4.635 2.881 1.916 1.00 3.32 H new ATOM 0 HD13 LEU A 87 3.896 4.124 0.879 1.00 3.32 H new ATOM 0 HD21 LEU A 87 5.476 6.486 2.085 1.00 50.34 H new ATOM 0 HD22 LEU A 87 3.722 6.537 1.785 1.00 50.34 H new ATOM 0 HD23 LEU A 87 4.357 6.879 3.412 1.00 50.34 H new ATOM 1375 N ILE A 88 4.524 1.557 4.828 1.00 25.12 N ATOM 1376 CA ILE A 88 5.518 1.097 5.805 1.00 73.35 C ATOM 1377 C ILE A 88 6.860 0.801 5.124 1.00 33.20 C ATOM 1378 O ILE A 88 7.018 0.998 3.919 1.00 1.41 O ATOM 1379 CB ILE A 88 5.030 -0.175 6.542 1.00 11.45 C ATOM 1380 CG1 ILE A 88 4.880 -1.335 5.549 1.00 41.41 C ATOM 1381 CG2 ILE A 88 3.712 0.098 7.269 1.00 22.22 C ATOM 1382 CD1 ILE A 88 4.288 -2.590 6.154 1.00 13.02 C ATOM 0 H ILE A 88 4.422 0.947 4.017 1.00 25.12 H new ATOM 0 HA ILE A 88 5.652 1.899 6.531 1.00 73.35 H new ATOM 0 HB ILE A 88 5.773 -0.456 7.289 1.00 11.45 H new ATOM 0 HG12 ILE A 88 4.250 -1.011 4.720 1.00 41.41 H new ATOM 0 HG13 ILE A 88 5.859 -1.572 5.132 1.00 41.41 H new ATOM 0 HG21 ILE A 88 3.385 -0.807 7.781 1.00 22.22 H new ATOM 0 HG22 ILE A 88 3.857 0.895 7.998 1.00 22.22 H new ATOM 0 HG23 ILE A 88 2.954 0.401 6.547 1.00 22.22 H new ATOM 0 HD11 ILE A 88 4.214 -3.363 5.389 1.00 13.02 H new ATOM 0 HD12 ILE A 88 4.928 -2.940 6.964 1.00 13.02 H new ATOM 0 HD13 ILE A 88 3.295 -2.371 6.546 1.00 13.02 H new ATOM 1394 N ARG A 89 7.830 0.326 5.900 1.00 55.53 N ATOM 1395 CA ARG A 89 9.159 0.009 5.367 1.00 72.23 C ATOM 1396 C ARG A 89 9.647 -1.356 5.887 1.00 13.24 C ATOM 1397 O ARG A 89 10.475 -1.423 6.797 1.00 11.31 O ATOM 1398 CB ARG A 89 10.175 1.110 5.744 1.00 23.22 C ATOM 1399 CG ARG A 89 9.689 2.538 5.493 1.00 73.31 C ATOM 1400 CD ARG A 89 9.472 2.840 4.009 1.00 63.45 C ATOM 1401 NE ARG A 89 8.827 4.140 3.811 1.00 52.23 N ATOM 1402 CZ ARG A 89 8.591 4.689 2.647 1.00 11.31 C ATOM 1403 NH1 ARG A 89 8.967 4.113 1.548 1.00 5.14 N ATOM 1404 NH2 ARG A 89 7.985 5.829 2.591 1.00 1.14 N ATOM 0 H ARG A 89 7.725 0.151 6.899 1.00 55.53 H new ATOM 0 HA ARG A 89 9.080 -0.040 4.281 1.00 72.23 H new ATOM 0 HB2 ARG A 89 10.428 1.007 6.799 1.00 23.22 H new ATOM 0 HB3 ARG A 89 11.093 0.948 5.179 1.00 23.22 H new ATOM 0 HG2 ARG A 89 8.755 2.699 6.032 1.00 73.31 H new ATOM 0 HG3 ARG A 89 10.416 3.241 5.899 1.00 73.31 H new ATOM 0 HD2 ARG A 89 10.431 2.826 3.491 1.00 63.45 H new ATOM 0 HD3 ARG A 89 8.858 2.057 3.564 1.00 63.45 H new ATOM 0 HE ARG A 89 8.540 4.656 4.643 1.00 52.23 H new ATOM 0 HH11 ARG A 89 9.455 3.218 1.582 1.00 5.14 H new ATOM 0 HH12 ARG A 89 8.775 4.555 0.649 1.00 5.14 H new ATOM 0 HH21 ARG A 89 7.694 6.295 3.451 1.00 1.14 H new ATOM 0 HH22 ARG A 89 7.798 6.263 1.687 1.00 1.14 H new ATOM 1418 N GLU A 90 9.107 -2.439 5.327 1.00 31.21 N ATOM 1419 CA GLU A 90 9.504 -3.801 5.723 1.00 55.34 C ATOM 1420 C GLU A 90 10.824 -4.200 5.060 1.00 61.03 C ATOM 1421 O GLU A 90 11.738 -4.706 5.712 1.00 54.23 O ATOM 1422 CB GLU A 90 8.409 -4.813 5.343 1.00 1.24 C ATOM 1423 CG GLU A 90 7.069 -4.568 6.024 1.00 45.21 C ATOM 1424 CD GLU A 90 7.126 -4.714 7.540 1.00 12.41 C ATOM 1425 OE1 GLU A 90 7.447 -3.725 8.225 1.00 64.33 O ATOM 1426 OE2 GLU A 90 6.835 -5.816 8.052 1.00 62.00 O ATOM 0 H GLU A 90 8.394 -2.405 4.598 1.00 31.21 H new ATOM 0 HA GLU A 90 9.639 -3.808 6.805 1.00 55.34 H new ATOM 0 HB2 GLU A 90 8.265 -4.787 4.263 1.00 1.24 H new ATOM 0 HB3 GLU A 90 8.754 -5.816 5.595 1.00 1.24 H new ATOM 0 HG2 GLU A 90 6.721 -3.565 5.776 1.00 45.21 H new ATOM 0 HG3 GLU A 90 6.334 -5.268 5.626 1.00 45.21 H new ATOM 1433 N LEU A 91 10.914 -3.965 3.758 1.00 71.44 N ATOM 1434 CA LEU A 91 12.117 -4.289 2.994 1.00 64.42 C ATOM 1435 C LEU A 91 13.272 -3.341 3.356 1.00 13.20 C ATOM 1436 O LEU A 91 13.115 -2.429 4.176 1.00 43.41 O ATOM 1437 CB LEU A 91 11.816 -4.218 1.488 1.00 52.42 C ATOM 1438 CG LEU A 91 10.660 -5.116 1.006 1.00 61.23 C ATOM 1439 CD1 LEU A 91 10.427 -4.940 -0.495 1.00 63.42 C ATOM 1440 CD2 LEU A 91 10.934 -6.582 1.346 1.00 22.12 C ATOM 0 H LEU A 91 10.165 -3.549 3.204 1.00 71.44 H new ATOM 0 HA LEU A 91 12.424 -5.304 3.248 1.00 64.42 H new ATOM 0 HB2 LEU A 91 11.585 -3.185 1.228 1.00 52.42 H new ATOM 0 HB3 LEU A 91 12.718 -4.490 0.940 1.00 52.42 H new ATOM 0 HG LEU A 91 9.753 -4.812 1.528 1.00 61.23 H new ATOM 0 HD11 LEU A 91 9.607 -5.583 -0.814 1.00 63.42 H new ATOM 0 HD12 LEU A 91 10.176 -3.900 -0.705 1.00 63.42 H new ATOM 0 HD13 LEU A 91 11.332 -5.211 -1.038 1.00 63.42 H new ATOM 0 HD21 LEU A 91 10.105 -7.198 0.997 1.00 22.12 H new ATOM 0 HD22 LEU A 91 11.855 -6.903 0.859 1.00 22.12 H new ATOM 0 HD23 LEU A 91 11.038 -6.692 2.425 1.00 22.12 H new ATOM 1452 N GLU A 92 14.428 -3.556 2.744 1.00 21.24 N ATOM 1453 CA GLU A 92 15.615 -2.745 3.034 1.00 71.03 C ATOM 1454 C GLU A 92 15.405 -1.282 2.611 1.00 43.21 C ATOM 1455 O GLU A 92 15.653 -0.903 1.463 1.00 33.14 O ATOM 1456 CB GLU A 92 16.850 -3.351 2.351 1.00 30.12 C ATOM 1457 CG GLU A 92 17.077 -4.814 2.721 1.00 73.14 C ATOM 1458 CD GLU A 92 18.319 -5.408 2.082 1.00 42.01 C ATOM 1459 OE1 GLU A 92 18.294 -5.691 0.866 1.00 54.32 O ATOM 1460 OE2 GLU A 92 19.326 -5.601 2.792 1.00 62.12 O ATOM 0 H GLU A 92 14.575 -4.283 2.044 1.00 21.24 H new ATOM 0 HA GLU A 92 15.782 -2.750 4.111 1.00 71.03 H new ATOM 0 HB2 GLU A 92 16.738 -3.268 1.270 1.00 30.12 H new ATOM 0 HB3 GLU A 92 17.731 -2.771 2.625 1.00 30.12 H new ATOM 0 HG2 GLU A 92 17.158 -4.899 3.805 1.00 73.14 H new ATOM 0 HG3 GLU A 92 16.207 -5.397 2.419 1.00 73.14 H new ATOM 1467 N HIS A 93 14.919 -0.472 3.550 1.00 52.31 N ATOM 1468 CA HIS A 93 14.630 0.943 3.294 1.00 1.52 C ATOM 1469 C HIS A 93 15.900 1.726 2.915 1.00 74.33 C ATOM 1470 O HIS A 93 16.840 1.842 3.708 1.00 40.14 O ATOM 1471 CB HIS A 93 13.930 1.570 4.510 1.00 43.54 C ATOM 1472 CG HIS A 93 14.584 1.259 5.829 1.00 24.50 C ATOM 1473 ND1 HIS A 93 14.361 0.085 6.523 1.00 52.54 N ATOM 1474 CD2 HIS A 93 15.454 1.975 6.587 1.00 30.52 C ATOM 1475 CE1 HIS A 93 15.056 0.096 7.640 1.00 52.21 C ATOM 1476 NE2 HIS A 93 15.726 1.227 7.705 1.00 21.45 N ATOM 0 H HIS A 93 14.715 -0.772 4.503 1.00 52.31 H new ATOM 0 HA HIS A 93 13.957 1.000 2.439 1.00 1.52 H new ATOM 0 HB2 HIS A 93 13.899 2.652 4.379 1.00 43.54 H new ATOM 0 HB3 HIS A 93 12.897 1.223 4.539 1.00 43.54 H new ATOM 0 HD2 HIS A 93 15.856 2.950 6.354 1.00 30.52 H new ATOM 0 HE1 HIS A 93 15.074 -0.691 8.379 1.00 52.21 H new ATOM 0 HE2 HIS A 93 16.348 1.503 8.465 1.00 21.45 H new ATOM 1485 N HIS A 94 15.911 2.265 1.700 1.00 12.14 N ATOM 1486 CA HIS A 94 17.100 2.915 1.143 1.00 32.31 C ATOM 1487 C HIS A 94 17.192 4.403 1.538 1.00 61.43 C ATOM 1488 O HIS A 94 16.755 5.282 0.789 1.00 50.34 O ATOM 1489 CB HIS A 94 17.095 2.772 -0.388 1.00 1.53 C ATOM 1490 CG HIS A 94 18.324 3.316 -1.055 1.00 2.41 C ATOM 1491 ND1 HIS A 94 18.551 4.665 -1.231 1.00 24.00 N ATOM 1492 CD2 HIS A 94 19.400 2.688 -1.588 1.00 62.51 C ATOM 1493 CE1 HIS A 94 19.706 4.841 -1.840 1.00 4.00 C ATOM 1494 NE2 HIS A 94 20.242 3.661 -2.067 1.00 11.03 N ATOM 0 H HIS A 94 15.105 2.266 1.075 1.00 12.14 H new ATOM 0 HA HIS A 94 17.976 2.418 1.560 1.00 32.31 H new ATOM 0 HB2 HIS A 94 16.992 1.718 -0.644 1.00 1.53 H new ATOM 0 HB3 HIS A 94 16.220 3.284 -0.788 1.00 1.53 H new ATOM 0 HD1 HIS A 94 17.922 5.411 -0.935 1.00 24.00 H new ATOM 0 HD2 HIS A 94 19.565 1.621 -1.628 1.00 62.51 H new ATOM 0 HE1 HIS A 94 20.140 5.793 -2.108 1.00 4.00 H new ATOM 1503 N HIS A 95 17.758 4.673 2.717 1.00 44.21 N ATOM 1504 CA HIS A 95 17.991 6.052 3.182 1.00 51.22 C ATOM 1505 C HIS A 95 18.769 6.070 4.511 1.00 41.42 C ATOM 1506 O HIS A 95 18.344 5.468 5.497 1.00 13.44 O ATOM 1507 CB HIS A 95 16.662 6.812 3.344 1.00 73.35 C ATOM 1508 CG HIS A 95 16.833 8.270 3.679 1.00 1.32 C ATOM 1509 ND1 HIS A 95 16.462 8.821 4.889 1.00 62.23 N ATOM 1510 CD2 HIS A 95 17.331 9.295 2.944 1.00 75.10 C ATOM 1511 CE1 HIS A 95 16.720 10.115 4.882 1.00 52.42 C ATOM 1512 NE2 HIS A 95 17.248 10.428 3.718 1.00 31.30 N ATOM 0 H HIS A 95 18.066 3.955 3.373 1.00 44.21 H new ATOM 0 HA HIS A 95 18.592 6.553 2.423 1.00 51.22 H new ATOM 0 HB2 HIS A 95 16.090 6.726 2.420 1.00 73.35 H new ATOM 0 HB3 HIS A 95 16.075 6.335 4.129 1.00 73.35 H new ATOM 0 HD2 HIS A 95 17.720 9.233 1.938 1.00 75.10 H new ATOM 0 HE1 HIS A 95 16.530 10.801 5.694 1.00 52.42 H new ATOM 0 HE2 HIS A 95 17.548 11.361 3.436 1.00 31.30 H new ATOM 1521 N HIS A 96 19.905 6.768 4.531 1.00 21.30 N ATOM 1522 CA HIS A 96 20.728 6.879 5.743 1.00 41.34 C ATOM 1523 C HIS A 96 20.223 8.002 6.664 1.00 10.23 C ATOM 1524 O HIS A 96 19.958 9.118 6.213 1.00 43.21 O ATOM 1525 CB HIS A 96 22.194 7.127 5.366 1.00 0.44 C ATOM 1526 CG HIS A 96 22.793 6.025 4.544 1.00 53.34 C ATOM 1527 ND1 HIS A 96 23.373 6.230 3.310 1.00 42.12 N ATOM 1528 CD2 HIS A 96 22.910 4.698 4.792 1.00 62.41 C ATOM 1529 CE1 HIS A 96 23.818 5.083 2.837 1.00 30.33 C ATOM 1530 NE2 HIS A 96 23.551 4.139 3.714 1.00 65.23 N ATOM 0 H HIS A 96 20.279 7.266 3.723 1.00 21.30 H new ATOM 0 HA HIS A 96 20.651 5.938 6.287 1.00 41.34 H new ATOM 0 HB2 HIS A 96 22.265 8.063 4.812 1.00 0.44 H new ATOM 0 HB3 HIS A 96 22.780 7.250 6.277 1.00 0.44 H new ATOM 0 HD2 HIS A 96 22.564 4.177 5.673 1.00 62.41 H new ATOM 0 HE1 HIS A 96 24.317 4.942 1.890 1.00 30.33 H new ATOM 0 HE2 HIS A 96 23.783 3.151 3.610 1.00 65.23 H new ATOM 1539 N HIS A 97 20.105 7.701 7.956 1.00 2.15 N ATOM 1540 CA HIS A 97 19.583 8.660 8.934 1.00 42.55 C ATOM 1541 C HIS A 97 20.039 8.305 10.359 1.00 3.11 C ATOM 1542 O HIS A 97 20.364 7.153 10.647 1.00 33.24 O ATOM 1543 CB HIS A 97 18.048 8.684 8.857 1.00 63.14 C ATOM 1544 CG HIS A 97 17.405 9.708 9.745 1.00 41.43 C ATOM 1545 ND1 HIS A 97 16.604 9.383 10.818 1.00 3.04 N ATOM 1546 CD2 HIS A 97 17.447 11.061 9.710 1.00 45.14 C ATOM 1547 CE1 HIS A 97 16.184 10.487 11.401 1.00 3.11 C ATOM 1548 NE2 HIS A 97 16.679 11.519 10.749 1.00 4.13 N ATOM 0 H HIS A 97 20.364 6.798 8.353 1.00 2.15 H new ATOM 0 HA HIS A 97 19.976 9.648 8.696 1.00 42.55 H new ATOM 0 HB2 HIS A 97 17.750 8.875 7.826 1.00 63.14 H new ATOM 0 HB3 HIS A 97 17.666 7.698 9.122 1.00 63.14 H new ATOM 0 HD2 HIS A 97 17.985 11.667 8.996 1.00 45.14 H new ATOM 0 HE1 HIS A 97 15.542 10.538 12.268 1.00 3.11 H new ATOM 0 HE2 HIS A 97 16.517 12.499 10.980 1.00 4.13 H new ATOM 1557 N HIS A 98 20.083 9.305 11.239 1.00 3.32 N ATOM 1558 CA HIS A 98 20.401 9.082 12.659 1.00 23.00 C ATOM 1559 C HIS A 98 19.118 8.992 13.514 1.00 2.40 C ATOM 1560 O HIS A 98 18.738 7.867 13.904 1.00 38.08 O ATOM 1561 CB HIS A 98 21.316 10.199 13.184 1.00 33.51 C ATOM 1562 CG HIS A 98 22.641 10.272 12.486 1.00 44.03 C ATOM 1563 ND1 HIS A 98 23.311 9.158 12.030 1.00 73.22 N ATOM 1564 CD2 HIS A 98 23.422 11.332 12.167 1.00 34.44 C ATOM 1565 CE1 HIS A 98 24.439 9.528 11.461 1.00 53.25 C ATOM 1566 NE2 HIS A 98 24.532 10.839 11.528 1.00 54.01 N ATOM 1567 OXT HIS A 98 18.483 10.046 13.765 1.00 38.08 O ATOM 0 H HIS A 98 19.903 10.280 10.998 1.00 3.32 H new ATOM 0 HA HIS A 98 20.925 8.130 12.739 1.00 23.00 H new ATOM 0 HB2 HIS A 98 20.805 11.156 13.076 1.00 33.51 H new ATOM 0 HB3 HIS A 98 21.485 10.047 14.250 1.00 33.51 H new ATOM 0 HD2 HIS A 98 23.211 12.370 12.376 1.00 34.44 H new ATOM 0 HE1 HIS A 98 25.166 8.866 11.014 1.00 53.25 H new ATOM 0 HE2 HIS A 98 25.304 11.398 11.164 1.00 54.01 H new TER 1576 HIS A 98