USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 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 Set 1.1: A 74 THR OG1 : rot 180:sc=-0.00657 USER MOD Set 1.2: A 75 SER OG : rot -170:sc= -0.417 USER MOD Set 1.3: A 79 GLN : amide:sc= -1.06 K(o=-1.5,f=-3!) USER MOD Set 2.1: A 26 ASN : amide:sc= 0.556 K(o=0.75,f=-1.1) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.193 K(o=0.75,f=-5.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A 14 ASN : amide:sc= -0.614 K(o=-0.61,f=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= -1.06 (180deg=-2.94!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 112:sc= 1.28 USER MOD Single : A 32 THR OG1 : rot -146:sc= -1.83! USER MOD Single : A 34 LYS NZ :NH3+ 145:sc= 1.28 (180deg=0.484) USER MOD Single : A 42 ASN : amide:sc= -1.88 K(o=-1.9,f=-0.46) USER MOD Single : A 46 ASN : amide:sc=-0.000253 X(o=-0.00025,f=-0.49) USER MOD Single : A 47 THR OG1 : rot 52:sc= 0.303 USER MOD Single : A 49 ASN : amide:sc= -0.294 K(o=-0.29,f=-3.1!) USER MOD Single : A 51 HIS : no HD1:sc= -0.324 X(o=-0.32,f=-0.33) USER MOD Single : A 56 ASN : amide:sc= -0.0375 X(o=-0.037,f=-0.35) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.398 USER MOD Single : A 66 THR OG1 : rot -44:sc= 1.33 USER MOD Single : A 67 ASN : amide:sc= 0.38 K(o=0.38,f=-8.7!) USER MOD Single : A 70 ASN : amide:sc= -1.43 K(o=-1.4,f=-12!) USER MOD Single : A 93 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.34) USER MOD Single : A 94 HIS : no HD1:sc= -0.0199 K(o=-0.02,f=-3.2!) USER MOD Single : A 95 HIS : no HD1:sc=-0.00525 X(o=-0.0052,f=-0.0052) USER MOD Single : A 96 HIS : no HD1:sc= -0.0727 X(o=-0.073,f=-0.073) USER MOD Single : A 97 HIS : no HD1:sc= -0.0871 X(o=-0.087,f=-0.087) USER MOD Single : A 98 HIS : no HE2:sc= 0.0307 K(o=0.031,f=-0.86) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.968 42.380 -11.887 1.00 74.13 N ATOM 2 CA GLY A 1 -5.130 41.856 -10.504 1.00 74.33 C ATOM 3 C GLY A 1 -6.533 41.327 -10.240 1.00 43.04 C ATOM 4 O GLY A 1 -6.779 40.122 -10.359 1.00 4.52 O ATOM 0 H1 GLY A 1 -3.996 42.728 -12.015 1.00 74.13 H new ATOM 0 H2 GLY A 1 -5.156 41.619 -12.571 1.00 74.13 H new ATOM 0 H3 GLY A 1 -5.638 43.160 -12.043 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -4.407 41.058 -10.334 1.00 74.33 H new ATOM 0 HA3 GLY A 1 -4.904 42.648 -9.790 1.00 74.33 H new ATOM 10 N ASP A 2 -7.446 42.234 -9.871 1.00 23.24 N ATOM 11 CA ASP A 2 -8.851 41.892 -9.609 1.00 11.30 C ATOM 12 C ASP A 2 -8.997 40.624 -8.751 1.00 12.44 C ATOM 13 O ASP A 2 -9.377 39.561 -9.241 1.00 4.34 O ATOM 14 CB ASP A 2 -9.628 41.752 -10.927 1.00 2.24 C ATOM 15 CG ASP A 2 -9.747 43.074 -11.670 1.00 2.40 C ATOM 16 OD1 ASP A 2 -8.809 43.440 -12.407 1.00 32.40 O ATOM 17 OD2 ASP A 2 -10.779 43.765 -11.509 1.00 1.24 O ATOM 0 H ASP A 2 -7.233 43.224 -9.746 1.00 23.24 H new ATOM 0 HA ASP A 2 -9.278 42.713 -9.034 1.00 11.30 H new ATOM 0 HB2 ASP A 2 -9.129 41.023 -11.565 1.00 2.24 H new ATOM 0 HB3 ASP A 2 -10.625 41.364 -10.719 1.00 2.24 H new ATOM 22 N ARG A 3 -8.684 40.746 -7.462 1.00 45.42 N ATOM 23 CA ARG A 3 -8.796 39.623 -6.522 1.00 33.20 C ATOM 24 C ARG A 3 -10.250 39.429 -6.058 1.00 42.44 C ATOM 25 O ARG A 3 -10.550 38.542 -5.256 1.00 75.11 O ATOM 26 CB ARG A 3 -7.870 39.860 -5.319 1.00 2.02 C ATOM 27 CG ARG A 3 -6.406 40.061 -5.708 1.00 11.21 C ATOM 28 CD ARG A 3 -5.821 38.832 -6.404 1.00 3.54 C ATOM 29 NE ARG A 3 -5.655 37.703 -5.489 1.00 10.35 N ATOM 30 CZ ARG A 3 -6.093 36.492 -5.714 1.00 52.45 C ATOM 31 NH1 ARG A 3 -6.780 36.219 -6.775 1.00 42.52 N ATOM 32 NH2 ARG A 3 -5.844 35.554 -4.863 1.00 52.31 N ATOM 0 H ARG A 3 -8.350 41.612 -7.040 1.00 45.42 H new ATOM 0 HA ARG A 3 -8.490 38.711 -7.034 1.00 33.20 H new ATOM 0 HB2 ARG A 3 -8.216 40.737 -4.771 1.00 2.02 H new ATOM 0 HB3 ARG A 3 -7.944 39.010 -4.640 1.00 2.02 H new ATOM 0 HG2 ARG A 3 -6.322 40.925 -6.368 1.00 11.21 H new ATOM 0 HG3 ARG A 3 -5.822 40.284 -4.815 1.00 11.21 H new ATOM 0 HD2 ARG A 3 -6.473 38.538 -7.226 1.00 3.54 H new ATOM 0 HD3 ARG A 3 -4.855 39.089 -6.840 1.00 3.54 H new ATOM 0 HE ARG A 3 -5.162 37.873 -4.612 1.00 10.35 H new ATOM 0 HH11 ARG A 3 -6.987 36.954 -7.451 1.00 42.52 H new ATOM 0 HH12 ARG A 3 -7.114 35.269 -6.936 1.00 42.52 H new ATOM 0 HH21 ARG A 3 -5.308 35.759 -4.020 1.00 52.31 H new ATOM 0 HH22 ARG A 3 -6.183 34.607 -5.034 1.00 52.31 H new ATOM 46 N ARG A 4 -11.136 40.279 -6.571 1.00 74.44 N ATOM 47 CA ARG A 4 -12.574 40.198 -6.291 1.00 63.14 C ATOM 48 C ARG A 4 -13.210 38.949 -6.928 1.00 72.04 C ATOM 49 O ARG A 4 -12.832 38.550 -8.032 1.00 13.32 O ATOM 50 CB ARG A 4 -13.275 41.460 -6.823 1.00 74.55 C ATOM 51 CG ARG A 4 -12.971 41.756 -8.291 1.00 62.30 C ATOM 52 CD ARG A 4 -13.714 42.987 -8.804 1.00 70.11 C ATOM 53 NE ARG A 4 -13.282 43.352 -10.153 1.00 41.20 N ATOM 54 CZ ARG A 4 -14.081 43.735 -11.110 1.00 0.41 C ATOM 55 NH1 ARG A 4 -15.365 43.759 -10.935 1.00 43.41 N ATOM 56 NH2 ARG A 4 -13.587 44.070 -12.255 1.00 43.22 N ATOM 0 H ARG A 4 -10.881 41.045 -7.194 1.00 74.44 H new ATOM 0 HA ARG A 4 -12.701 40.125 -5.211 1.00 63.14 H new ATOM 0 HB2 ARG A 4 -14.352 41.347 -6.699 1.00 74.55 H new ATOM 0 HB3 ARG A 4 -12.973 42.315 -6.219 1.00 74.55 H new ATOM 0 HG2 ARG A 4 -11.898 41.905 -8.414 1.00 62.30 H new ATOM 0 HG3 ARG A 4 -13.244 40.892 -8.897 1.00 62.30 H new ATOM 0 HD2 ARG A 4 -14.786 42.792 -8.805 1.00 70.11 H new ATOM 0 HD3 ARG A 4 -13.543 43.824 -8.127 1.00 70.11 H new ATOM 0 HE ARG A 4 -12.284 43.304 -10.360 1.00 41.20 H new ATOM 0 HH11 ARG A 4 -15.763 43.476 -10.040 1.00 43.41 H new ATOM 0 HH12 ARG A 4 -15.977 44.061 -11.693 1.00 43.41 H new ATOM 0 HH21 ARG A 4 -12.579 44.034 -12.406 1.00 43.22 H new ATOM 0 HH22 ARG A 4 -14.205 44.371 -13.009 1.00 43.22 H new ATOM 70 N VAL A 5 -14.179 38.354 -6.225 1.00 70.20 N ATOM 71 CA VAL A 5 -14.928 37.186 -6.715 1.00 61.42 C ATOM 72 C VAL A 5 -14.041 35.932 -6.873 1.00 34.51 C ATOM 73 O VAL A 5 -13.011 35.956 -7.547 1.00 62.22 O ATOM 74 CB VAL A 5 -15.636 37.486 -8.065 1.00 5.23 C ATOM 75 CG1 VAL A 5 -16.440 36.278 -8.536 1.00 40.13 C ATOM 76 CG2 VAL A 5 -16.531 38.723 -7.946 1.00 23.35 C ATOM 0 H VAL A 5 -14.469 38.667 -5.298 1.00 70.20 H new ATOM 0 HA VAL A 5 -15.678 36.977 -5.952 1.00 61.42 H new ATOM 0 HB VAL A 5 -14.869 37.693 -8.811 1.00 5.23 H new ATOM 0 HG11 VAL A 5 -16.927 36.512 -9.483 1.00 40.13 H new ATOM 0 HG12 VAL A 5 -15.772 35.427 -8.671 1.00 40.13 H new ATOM 0 HG13 VAL A 5 -17.196 36.031 -7.791 1.00 40.13 H new ATOM 0 HG21 VAL A 5 -17.017 38.914 -8.903 1.00 23.35 H new ATOM 0 HG22 VAL A 5 -17.289 38.551 -7.182 1.00 23.35 H new ATOM 0 HG23 VAL A 5 -15.925 39.585 -7.668 1.00 23.35 H new ATOM 86 N ARG A 6 -14.461 34.825 -6.256 1.00 40.05 N ATOM 87 CA ARG A 6 -13.712 33.564 -6.342 1.00 33.52 C ATOM 88 C ARG A 6 -14.346 32.610 -7.375 1.00 12.20 C ATOM 89 O ARG A 6 -15.498 32.192 -7.240 1.00 32.41 O ATOM 90 CB ARG A 6 -13.625 32.901 -4.957 1.00 61.41 C ATOM 91 CG ARG A 6 -14.967 32.462 -4.373 1.00 52.13 C ATOM 92 CD ARG A 6 -14.839 32.041 -2.913 1.00 2.12 C ATOM 93 NE ARG A 6 -14.570 33.183 -2.041 1.00 21.54 N ATOM 94 CZ ARG A 6 -13.805 33.145 -0.985 1.00 35.44 C ATOM 95 NH1 ARG A 6 -13.181 32.061 -0.652 1.00 51.23 N ATOM 96 NH2 ARG A 6 -13.666 34.201 -0.258 1.00 53.51 N ATOM 0 H ARG A 6 -15.311 34.773 -5.694 1.00 40.05 H new ATOM 0 HA ARG A 6 -12.700 33.788 -6.681 1.00 33.52 H new ATOM 0 HB2 ARG A 6 -12.972 32.031 -5.026 1.00 61.41 H new ATOM 0 HB3 ARG A 6 -13.154 33.598 -4.264 1.00 61.41 H new ATOM 0 HG2 ARG A 6 -15.683 33.279 -4.454 1.00 52.13 H new ATOM 0 HG3 ARG A 6 -15.363 31.632 -4.957 1.00 52.13 H new ATOM 0 HD2 ARG A 6 -15.758 31.549 -2.595 1.00 2.12 H new ATOM 0 HD3 ARG A 6 -14.036 31.311 -2.814 1.00 2.12 H new ATOM 0 HE ARG A 6 -15.012 34.072 -2.275 1.00 21.54 H new ATOM 0 HH11 ARG A 6 -13.283 31.219 -1.219 1.00 51.23 H new ATOM 0 HH12 ARG A 6 -12.587 32.049 0.177 1.00 51.23 H new ATOM 0 HH21 ARG A 6 -14.153 35.061 -0.510 1.00 53.51 H new ATOM 0 HH22 ARG A 6 -13.069 34.176 0.569 1.00 53.51 H new ATOM 110 N LEU A 7 -13.581 32.279 -8.414 1.00 43.33 N ATOM 111 CA LEU A 7 -14.078 31.453 -9.524 1.00 64.24 C ATOM 112 C LEU A 7 -13.511 30.016 -9.465 1.00 75.30 C ATOM 113 O LEU A 7 -13.764 29.199 -10.353 1.00 5.33 O ATOM 114 CB LEU A 7 -13.700 32.121 -10.857 1.00 2.41 C ATOM 115 CG LEU A 7 -14.404 31.568 -12.114 1.00 52.23 C ATOM 116 CD1 LEU A 7 -15.915 31.774 -12.029 1.00 41.13 C ATOM 117 CD2 LEU A 7 -13.837 32.216 -13.375 1.00 35.13 C ATOM 0 H LEU A 7 -12.609 32.570 -8.514 1.00 43.33 H new ATOM 0 HA LEU A 7 -15.162 31.377 -9.440 1.00 64.24 H new ATOM 0 HB2 LEU A 7 -13.918 33.186 -10.782 1.00 2.41 H new ATOM 0 HB3 LEU A 7 -12.623 32.025 -10.996 1.00 2.41 H new ATOM 0 HG LEU A 7 -14.215 30.496 -12.166 1.00 52.23 H new ATOM 0 HD11 LEU A 7 -16.388 31.376 -12.927 1.00 41.13 H new ATOM 0 HD12 LEU A 7 -16.304 31.255 -11.153 1.00 41.13 H new ATOM 0 HD13 LEU A 7 -16.133 32.839 -11.946 1.00 41.13 H new ATOM 0 HD21 LEU A 7 -14.346 31.814 -14.251 1.00 35.13 H new ATOM 0 HD22 LEU A 7 -13.990 33.294 -13.330 1.00 35.13 H new ATOM 0 HD23 LEU A 7 -12.770 32.003 -13.445 1.00 35.13 H new ATOM 129 N ILE A 8 -12.754 29.716 -8.408 1.00 75.50 N ATOM 130 CA ILE A 8 -12.133 28.395 -8.236 1.00 33.04 C ATOM 131 C ILE A 8 -13.177 27.260 -8.194 1.00 53.23 C ATOM 132 O ILE A 8 -14.218 27.372 -7.546 1.00 62.30 O ATOM 133 CB ILE A 8 -11.270 28.347 -6.943 1.00 1.24 C ATOM 134 CG1 ILE A 8 -10.523 27.006 -6.825 1.00 63.10 C ATOM 135 CG2 ILE A 8 -12.133 28.594 -5.704 1.00 41.44 C ATOM 136 CD1 ILE A 8 -9.552 26.745 -7.961 1.00 72.21 C ATOM 0 H ILE A 8 -12.554 30.372 -7.653 1.00 75.50 H new ATOM 0 HA ILE A 8 -11.495 28.240 -9.106 1.00 33.04 H new ATOM 0 HB ILE A 8 -10.527 29.142 -7.008 1.00 1.24 H new ATOM 0 HG12 ILE A 8 -9.978 26.986 -5.881 1.00 63.10 H new ATOM 0 HG13 ILE A 8 -11.252 26.196 -6.789 1.00 63.10 H new ATOM 0 HG21 ILE A 8 -11.508 28.556 -4.812 1.00 41.44 H new ATOM 0 HG22 ILE A 8 -12.602 29.575 -5.777 1.00 41.44 H new ATOM 0 HG23 ILE A 8 -12.905 27.827 -5.639 1.00 41.44 H new ATOM 0 HD11 ILE A 8 -9.064 25.782 -7.809 1.00 72.21 H new ATOM 0 HD12 ILE A 8 -10.094 26.732 -8.907 1.00 72.21 H new ATOM 0 HD13 ILE A 8 -8.800 27.533 -7.985 1.00 72.21 H new ATOM 148 N ARG A 9 -12.892 26.165 -8.900 1.00 23.35 N ATOM 149 CA ARG A 9 -13.793 25.008 -8.938 1.00 63.42 C ATOM 150 C ARG A 9 -13.193 23.806 -8.187 1.00 70.20 C ATOM 151 O ARG A 9 -12.050 23.850 -7.733 1.00 21.22 O ATOM 152 CB ARG A 9 -14.088 24.619 -10.394 1.00 44.10 C ATOM 153 CG ARG A 9 -14.617 25.768 -11.251 1.00 12.14 C ATOM 154 CD ARG A 9 -15.896 26.368 -10.675 1.00 4.54 C ATOM 155 NE ARG A 9 -16.436 27.422 -11.531 1.00 65.04 N ATOM 156 CZ ARG A 9 -17.320 28.302 -11.149 1.00 2.55 C ATOM 157 NH1 ARG A 9 -17.758 28.316 -9.929 1.00 51.23 N ATOM 158 NH2 ARG A 9 -17.756 29.179 -11.992 1.00 63.23 N ATOM 0 H ARG A 9 -12.043 26.053 -9.455 1.00 23.35 H new ATOM 0 HA ARG A 9 -14.722 25.289 -8.441 1.00 63.42 H new ATOM 0 HB2 ARG A 9 -13.176 24.232 -10.847 1.00 44.10 H new ATOM 0 HB3 ARG A 9 -14.817 23.808 -10.402 1.00 44.10 H new ATOM 0 HG2 ARG A 9 -13.855 26.544 -11.328 1.00 12.14 H new ATOM 0 HG3 ARG A 9 -14.808 25.408 -12.262 1.00 12.14 H new ATOM 0 HD2 ARG A 9 -16.642 25.583 -10.551 1.00 4.54 H new ATOM 0 HD3 ARG A 9 -15.693 26.774 -9.684 1.00 4.54 H new ATOM 0 HE ARG A 9 -16.099 27.473 -12.492 1.00 65.04 H new ATOM 0 HH11 ARG A 9 -17.411 27.634 -9.255 1.00 51.23 H new ATOM 0 HH12 ARG A 9 -18.449 29.009 -9.643 1.00 51.23 H new ATOM 0 HH21 ARG A 9 -17.409 29.181 -12.951 1.00 63.23 H new ATOM 0 HH22 ARG A 9 -18.447 29.869 -11.698 1.00 63.23 H new ATOM 172 N THR A 10 -13.976 22.736 -8.062 1.00 32.52 N ATOM 173 CA THR A 10 -13.516 21.494 -7.414 1.00 4.14 C ATOM 174 C THR A 10 -14.071 20.256 -8.131 1.00 11.43 C ATOM 175 O THR A 10 -14.985 20.362 -8.953 1.00 40.44 O ATOM 176 CB THR A 10 -13.914 21.444 -5.916 1.00 21.14 C ATOM 177 OG1 THR A 10 -13.553 20.176 -5.343 1.00 21.14 O ATOM 178 CG2 THR A 10 -15.409 21.684 -5.732 1.00 61.31 C ATOM 0 H THR A 10 -14.937 22.698 -8.400 1.00 32.52 H new ATOM 0 HA THR A 10 -12.428 21.490 -7.483 1.00 4.14 H new ATOM 0 HB THR A 10 -13.372 22.239 -5.403 1.00 21.14 H new ATOM 0 HG1 THR A 10 -13.809 20.160 -4.397 1.00 21.14 H new ATOM 0 HG21 THR A 10 -15.656 21.643 -4.671 1.00 61.31 H new ATOM 0 HG22 THR A 10 -15.671 22.665 -6.128 1.00 61.31 H new ATOM 0 HG23 THR A 10 -15.969 20.916 -6.265 1.00 61.31 H new ATOM 186 N ARG A 11 -13.525 19.084 -7.816 1.00 51.02 N ATOM 187 CA ARG A 11 -13.887 17.840 -8.513 1.00 33.53 C ATOM 188 C ARG A 11 -14.897 16.997 -7.712 1.00 22.43 C ATOM 189 O ARG A 11 -14.972 17.092 -6.486 1.00 63.10 O ATOM 190 CB ARG A 11 -12.623 17.005 -8.784 1.00 3.13 C ATOM 191 CG ARG A 11 -11.958 16.467 -7.517 1.00 44.33 C ATOM 192 CD ARG A 11 -10.752 15.586 -7.831 1.00 42.54 C ATOM 193 NE ARG A 11 -9.637 16.340 -8.398 1.00 71.35 N ATOM 194 CZ ARG A 11 -8.512 15.798 -8.780 1.00 35.34 C ATOM 195 NH1 ARG A 11 -8.353 14.513 -8.744 1.00 33.42 N ATOM 196 NH2 ARG A 11 -7.551 16.545 -9.212 1.00 2.51 N ATOM 0 H ARG A 11 -12.828 18.964 -7.081 1.00 51.02 H new ATOM 0 HA ARG A 11 -14.361 18.121 -9.454 1.00 33.53 H new ATOM 0 HB2 ARG A 11 -12.884 16.167 -9.431 1.00 3.13 H new ATOM 0 HB3 ARG A 11 -11.904 17.617 -9.329 1.00 3.13 H new ATOM 0 HG2 ARG A 11 -11.643 17.302 -6.891 1.00 44.33 H new ATOM 0 HG3 ARG A 11 -12.685 15.894 -6.942 1.00 44.33 H new ATOM 0 HD2 ARG A 11 -10.423 15.089 -6.919 1.00 42.54 H new ATOM 0 HD3 ARG A 11 -11.050 14.805 -8.530 1.00 42.54 H new ATOM 0 HE ARG A 11 -9.743 17.349 -8.502 1.00 71.35 H new ATOM 0 HH11 ARG A 11 -9.111 13.914 -8.415 1.00 33.42 H new ATOM 0 HH12 ARG A 11 -7.470 14.100 -9.045 1.00 33.42 H new ATOM 0 HH21 ARG A 11 -7.671 17.557 -9.254 1.00 2.51 H new ATOM 0 HH22 ARG A 11 -6.672 16.123 -9.511 1.00 2.51 H new ATOM 210 N GLY A 12 -15.670 16.170 -8.420 1.00 11.43 N ATOM 211 CA GLY A 12 -16.562 15.214 -7.765 1.00 50.23 C ATOM 212 C GLY A 12 -16.001 13.792 -7.771 1.00 43.50 C ATOM 213 O GLY A 12 -15.396 13.364 -8.757 1.00 24.15 O ATOM 0 H GLY A 12 -15.696 16.144 -9.439 1.00 11.43 H new ATOM 0 HA2 GLY A 12 -16.734 15.529 -6.736 1.00 50.23 H new ATOM 0 HA3 GLY A 12 -17.529 15.222 -8.267 1.00 50.23 H new ATOM 217 N GLY A 13 -16.195 13.059 -6.674 1.00 44.44 N ATOM 218 CA GLY A 13 -15.635 11.709 -6.558 1.00 54.14 C ATOM 219 C GLY A 13 -16.643 10.596 -6.851 1.00 12.43 C ATOM 220 O GLY A 13 -17.694 10.514 -6.206 1.00 31.30 O ATOM 0 H GLY A 13 -16.728 13.370 -5.862 1.00 44.44 H new ATOM 0 HA2 GLY A 13 -14.794 11.614 -7.244 1.00 54.14 H new ATOM 0 HA3 GLY A 13 -15.241 11.574 -5.551 1.00 54.14 H new ATOM 224 N ASN A 14 -16.321 9.734 -7.819 1.00 21.53 N ATOM 225 CA ASN A 14 -17.176 8.587 -8.172 1.00 64.31 C ATOM 226 C ASN A 14 -16.455 7.250 -7.931 1.00 45.41 C ATOM 227 O ASN A 14 -15.226 7.194 -7.856 1.00 31.02 O ATOM 228 CB ASN A 14 -17.603 8.666 -9.645 1.00 51.15 C ATOM 229 CG ASN A 14 -18.385 9.927 -9.985 1.00 44.01 C ATOM 230 OD1 ASN A 14 -18.280 10.447 -11.091 1.00 51.20 O ATOM 231 ND2 ASN A 14 -19.192 10.411 -9.060 1.00 71.40 N ATOM 0 H ASN A 14 -15.471 9.806 -8.378 1.00 21.53 H new ATOM 0 HA ASN A 14 -18.056 8.632 -7.530 1.00 64.31 H new ATOM 0 HB2 ASN A 14 -16.715 8.618 -10.275 1.00 51.15 H new ATOM 0 HB3 ASN A 14 -18.212 7.795 -9.885 1.00 51.15 H new ATOM 0 HD21 ASN A 14 -19.752 11.241 -9.255 1.00 71.40 H new ATOM 0 HD22 ASN A 14 -19.256 9.955 -8.150 1.00 71.40 H new ATOM 238 N THR A 15 -17.231 6.174 -7.811 1.00 33.35 N ATOM 239 CA THR A 15 -16.673 4.818 -7.706 1.00 23.05 C ATOM 240 C THR A 15 -16.319 4.275 -9.100 1.00 54.12 C ATOM 241 O THR A 15 -17.121 4.364 -10.032 1.00 70.22 O ATOM 242 CB THR A 15 -17.666 3.844 -7.021 1.00 50.32 C ATOM 243 OG1 THR A 15 -18.070 4.360 -5.741 1.00 35.43 O ATOM 244 CG2 THR A 15 -17.047 2.460 -6.834 1.00 71.33 C ATOM 0 H THR A 15 -18.250 6.210 -7.784 1.00 33.35 H new ATOM 0 HA THR A 15 -15.773 4.885 -7.095 1.00 23.05 H new ATOM 0 HB THR A 15 -18.536 3.752 -7.671 1.00 50.32 H new ATOM 0 HG1 THR A 15 -18.698 3.736 -5.320 1.00 35.43 H new ATOM 0 HG21 THR A 15 -17.769 1.801 -6.351 1.00 71.33 H new ATOM 0 HG22 THR A 15 -16.774 2.049 -7.806 1.00 71.33 H new ATOM 0 HG23 THR A 15 -16.156 2.541 -6.211 1.00 71.33 H new ATOM 252 N LYS A 16 -15.120 3.710 -9.245 1.00 53.22 N ATOM 253 CA LYS A 16 -14.627 3.270 -10.559 1.00 4.14 C ATOM 254 C LYS A 16 -14.891 1.777 -10.813 1.00 34.54 C ATOM 255 O LYS A 16 -15.446 1.068 -9.971 1.00 21.21 O ATOM 256 CB LYS A 16 -13.116 3.519 -10.684 1.00 22.21 C ATOM 257 CG LYS A 16 -12.660 4.902 -10.237 1.00 0.12 C ATOM 258 CD LYS A 16 -11.184 5.167 -10.565 1.00 41.41 C ATOM 259 CE LYS A 16 -10.243 4.067 -10.055 1.00 11.44 C ATOM 260 NZ LYS A 16 -10.240 2.856 -10.934 1.00 75.21 N ATOM 0 H LYS A 16 -14.472 3.545 -8.475 1.00 53.22 H new ATOM 0 HA LYS A 16 -15.173 3.854 -11.300 1.00 4.14 H new ATOM 0 HB2 LYS A 16 -12.588 2.769 -10.095 1.00 22.21 H new ATOM 0 HB3 LYS A 16 -12.822 3.373 -11.723 1.00 22.21 H new ATOM 0 HG2 LYS A 16 -13.278 5.659 -10.720 1.00 0.12 H new ATOM 0 HG3 LYS A 16 -12.814 5.003 -9.163 1.00 0.12 H new ATOM 0 HD2 LYS A 16 -11.070 5.261 -11.645 1.00 41.41 H new ATOM 0 HD3 LYS A 16 -10.887 6.121 -10.129 1.00 41.41 H new ATOM 0 HE2 LYS A 16 -9.230 4.464 -9.987 1.00 11.44 H new ATOM 0 HE3 LYS A 16 -10.541 3.778 -9.047 1.00 11.44 H new ATOM 0 HZ1 LYS A 16 -10.706 2.068 -10.441 1.00 75.21 H new ATOM 0 HZ2 LYS A 16 -10.753 3.065 -11.814 1.00 75.21 H new ATOM 0 HZ3 LYS A 16 -9.259 2.593 -11.159 1.00 75.21 H new ATOM 274 N VAL A 17 -14.486 1.318 -11.994 1.00 72.11 N ATOM 275 CA VAL A 17 -14.461 -0.110 -12.318 1.00 61.25 C ATOM 276 C VAL A 17 -13.202 -0.764 -11.712 1.00 51.31 C ATOM 277 O VAL A 17 -12.252 -0.065 -11.344 1.00 2.21 O ATOM 278 CB VAL A 17 -14.488 -0.323 -13.858 1.00 71.24 C ATOM 279 CG1 VAL A 17 -13.228 0.245 -14.511 1.00 71.40 C ATOM 280 CG2 VAL A 17 -14.676 -1.797 -14.216 1.00 71.10 C ATOM 0 H VAL A 17 -14.167 1.921 -12.752 1.00 72.11 H new ATOM 0 HA VAL A 17 -15.347 -0.580 -11.891 1.00 61.25 H new ATOM 0 HB VAL A 17 -15.347 0.222 -14.251 1.00 71.24 H new ATOM 0 HG11 VAL A 17 -13.272 0.083 -15.588 1.00 71.40 H new ATOM 0 HG12 VAL A 17 -13.163 1.314 -14.307 1.00 71.40 H new ATOM 0 HG13 VAL A 17 -12.350 -0.256 -14.104 1.00 71.40 H new ATOM 0 HG21 VAL A 17 -14.690 -1.909 -15.300 1.00 71.10 H new ATOM 0 HG22 VAL A 17 -13.853 -2.380 -13.802 1.00 71.10 H new ATOM 0 HG23 VAL A 17 -15.619 -2.155 -13.802 1.00 71.10 H new ATOM 290 N ARG A 18 -13.200 -2.094 -11.593 1.00 14.23 N ATOM 291 CA ARG A 18 -12.047 -2.816 -11.039 1.00 34.32 C ATOM 292 C ARG A 18 -10.730 -2.456 -11.752 1.00 25.24 C ATOM 293 O ARG A 18 -10.708 -2.238 -12.965 1.00 53.05 O ATOM 294 CB ARG A 18 -12.298 -4.339 -11.048 1.00 3.11 C ATOM 295 CG ARG A 18 -12.946 -4.899 -12.322 1.00 12.11 C ATOM 296 CD ARG A 18 -11.965 -5.061 -13.482 1.00 4.12 C ATOM 297 NE ARG A 18 -12.597 -5.724 -14.622 1.00 73.31 N ATOM 298 CZ ARG A 18 -11.956 -6.377 -15.554 1.00 73.54 C ATOM 299 NH1 ARG A 18 -10.667 -6.457 -15.542 1.00 11.21 N ATOM 300 NH2 ARG A 18 -12.615 -6.950 -16.507 1.00 43.50 N ATOM 0 H ARG A 18 -13.978 -2.692 -11.871 1.00 14.23 H new ATOM 0 HA ARG A 18 -11.934 -2.496 -10.003 1.00 34.32 H new ATOM 0 HB2 ARG A 18 -11.346 -4.847 -10.893 1.00 3.11 H new ATOM 0 HB3 ARG A 18 -12.934 -4.589 -10.199 1.00 3.11 H new ATOM 0 HG2 ARG A 18 -13.394 -5.867 -12.097 1.00 12.11 H new ATOM 0 HG3 ARG A 18 -13.755 -4.237 -12.630 1.00 12.11 H new ATOM 0 HD2 ARG A 18 -11.594 -4.082 -13.787 1.00 4.12 H new ATOM 0 HD3 ARG A 18 -11.102 -5.641 -13.154 1.00 4.12 H new ATOM 0 HE ARG A 18 -13.613 -5.673 -14.695 1.00 73.31 H new ATOM 0 HH11 ARG A 18 -10.135 -6.006 -14.797 1.00 11.21 H new ATOM 0 HH12 ARG A 18 -10.181 -6.971 -16.277 1.00 11.21 H new ATOM 0 HH21 ARG A 18 -13.633 -6.892 -16.530 1.00 43.50 H new ATOM 0 HH22 ARG A 18 -12.117 -7.461 -17.236 1.00 43.50 H new ATOM 314 N LEU A 19 -9.645 -2.400 -10.964 1.00 52.10 N ATOM 315 CA LEU A 19 -8.314 -1.965 -11.428 1.00 42.43 C ATOM 316 C LEU A 19 -8.015 -2.390 -12.876 1.00 42.44 C ATOM 317 O LEU A 19 -7.749 -3.559 -13.159 1.00 12.04 O ATOM 318 CB LEU A 19 -7.239 -2.504 -10.462 1.00 0.34 C ATOM 319 CG LEU A 19 -5.787 -2.037 -10.721 1.00 73.43 C ATOM 320 CD1 LEU A 19 -5.007 -1.968 -9.407 1.00 12.44 C ATOM 321 CD2 LEU A 19 -5.070 -2.961 -11.706 1.00 25.32 C ATOM 0 H LEU A 19 -9.665 -2.657 -9.977 1.00 52.10 H new ATOM 0 HA LEU A 19 -8.301 -0.875 -11.427 1.00 42.43 H new ATOM 0 HB2 LEU A 19 -7.515 -2.216 -9.448 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -7.260 -3.593 -10.500 1.00 0.34 H new ATOM 0 HG LEU A 19 -5.834 -1.042 -11.163 1.00 73.43 H new ATOM 0 HD11 LEU A 19 -3.987 -1.638 -9.606 1.00 12.44 H new ATOM 0 HD12 LEU A 19 -5.492 -1.262 -8.733 1.00 12.44 H new ATOM 0 HD13 LEU A 19 -4.985 -2.955 -8.945 1.00 12.44 H new ATOM 0 HD21 LEU A 19 -4.053 -2.604 -11.865 1.00 25.32 H new ATOM 0 HD22 LEU A 19 -5.040 -3.972 -11.300 1.00 25.32 H new ATOM 0 HD23 LEU A 19 -5.605 -2.966 -12.655 1.00 25.32 H new ATOM 333 N ALA A 20 -8.057 -1.423 -13.788 1.00 52.30 N ATOM 334 CA ALA A 20 -7.855 -1.695 -15.210 1.00 22.31 C ATOM 335 C ALA A 20 -6.367 -1.650 -15.602 1.00 50.23 C ATOM 336 O ALA A 20 -5.901 -0.677 -16.193 1.00 63.34 O ATOM 337 CB ALA A 20 -8.668 -0.716 -16.055 1.00 21.24 C ATOM 0 H ALA A 20 -8.229 -0.442 -13.568 1.00 52.30 H new ATOM 0 HA ALA A 20 -8.206 -2.708 -15.405 1.00 22.31 H new ATOM 0 HB1 ALA A 20 -8.509 -0.929 -17.112 1.00 21.24 H new ATOM 0 HB2 ALA A 20 -9.727 -0.823 -15.818 1.00 21.24 H new ATOM 0 HB3 ALA A 20 -8.349 0.304 -15.838 1.00 21.24 H new ATOM 343 N SER A 21 -5.624 -2.700 -15.228 1.00 4.02 N ATOM 344 CA SER A 21 -4.205 -2.878 -15.617 1.00 5.01 C ATOM 345 C SER A 21 -3.239 -1.948 -14.854 1.00 51.44 C ATOM 346 O SER A 21 -2.158 -2.378 -14.442 1.00 33.11 O ATOM 347 CB SER A 21 -4.020 -2.713 -17.135 1.00 53.44 C ATOM 348 OG SER A 21 -4.769 -3.687 -17.855 1.00 54.43 O ATOM 0 H SER A 21 -5.984 -3.456 -14.646 1.00 4.02 H new ATOM 0 HA SER A 21 -3.946 -3.898 -15.334 1.00 5.01 H new ATOM 0 HB2 SER A 21 -4.335 -1.714 -17.436 1.00 53.44 H new ATOM 0 HB3 SER A 21 -2.963 -2.804 -17.387 1.00 53.44 H new ATOM 0 HG SER A 21 -4.634 -3.558 -18.817 1.00 54.43 H new ATOM 354 N ASP A 22 -3.616 -0.682 -14.671 1.00 34.25 N ATOM 355 CA ASP A 22 -2.786 0.267 -13.922 1.00 41.50 C ATOM 356 C ASP A 22 -2.692 -0.136 -12.443 1.00 1.24 C ATOM 357 O ASP A 22 -3.595 0.157 -11.653 1.00 22.20 O ATOM 358 CB ASP A 22 -3.355 1.688 -14.028 1.00 54.32 C ATOM 359 CG ASP A 22 -3.563 2.131 -15.463 1.00 64.42 C ATOM 360 OD1 ASP A 22 -2.563 2.351 -16.178 1.00 65.44 O ATOM 361 OD2 ASP A 22 -4.729 2.270 -15.882 1.00 21.15 O ATOM 0 H ASP A 22 -4.487 -0.289 -15.029 1.00 34.25 H new ATOM 0 HA ASP A 22 -1.788 0.248 -14.359 1.00 41.50 H new ATOM 0 HB2 ASP A 22 -4.306 1.735 -13.497 1.00 54.32 H new ATOM 0 HB3 ASP A 22 -2.678 2.384 -13.532 1.00 54.32 H new ATOM 366 N THR A 23 -1.608 -0.811 -12.068 1.00 42.01 N ATOM 367 CA THR A 23 -1.449 -1.281 -10.689 1.00 14.23 C ATOM 368 C THR A 23 -1.190 -0.116 -9.728 1.00 35.24 C ATOM 369 O THR A 23 -0.116 0.488 -9.733 1.00 43.11 O ATOM 370 CB THR A 23 -0.295 -2.303 -10.558 1.00 53.34 C ATOM 371 OG1 THR A 23 0.920 -1.750 -11.079 1.00 43.14 O ATOM 372 CG2 THR A 23 -0.617 -3.602 -11.289 1.00 65.42 C ATOM 0 H THR A 23 -0.833 -1.044 -12.689 1.00 42.01 H new ATOM 0 HA THR A 23 -2.386 -1.770 -10.423 1.00 14.23 H new ATOM 0 HB THR A 23 -0.170 -2.525 -9.498 1.00 53.34 H new ATOM 0 HG1 THR A 23 1.554 -1.605 -10.346 1.00 43.14 H new ATOM 0 HG21 THR A 23 0.214 -4.298 -11.177 1.00 65.42 H new ATOM 0 HG22 THR A 23 -1.519 -4.043 -10.866 1.00 65.42 H new ATOM 0 HG23 THR A 23 -0.776 -3.394 -12.347 1.00 65.42 H new ATOM 380 N ARG A 24 -2.174 0.160 -8.877 1.00 43.21 N ATOM 381 CA ARG A 24 -2.110 1.267 -7.915 1.00 31.25 C ATOM 382 C ARG A 24 -2.970 0.961 -6.682 1.00 4.42 C ATOM 383 O ARG A 24 -3.952 0.222 -6.767 1.00 73.14 O ATOM 384 CB ARG A 24 -2.562 2.585 -8.577 1.00 21.21 C ATOM 385 CG ARG A 24 -1.574 3.107 -9.622 1.00 32.41 C ATOM 386 CD ARG A 24 -2.086 4.328 -10.376 1.00 44.01 C ATOM 387 NE ARG A 24 -1.099 4.800 -11.349 1.00 11.02 N ATOM 388 CZ ARG A 24 -1.364 5.133 -12.582 1.00 15.02 C ATOM 389 NH1 ARG A 24 -2.570 5.072 -13.048 1.00 1.11 N ATOM 390 NH2 ARG A 24 -0.407 5.521 -13.354 1.00 33.44 N ATOM 0 H ARG A 24 -3.041 -0.375 -8.831 1.00 43.21 H new ATOM 0 HA ARG A 24 -1.075 1.381 -7.591 1.00 31.25 H new ATOM 0 HB2 ARG A 24 -3.533 2.432 -9.049 1.00 21.21 H new ATOM 0 HB3 ARG A 24 -2.698 3.343 -7.806 1.00 21.21 H new ATOM 0 HG2 ARG A 24 -0.635 3.360 -9.130 1.00 32.41 H new ATOM 0 HG3 ARG A 24 -1.357 2.312 -10.336 1.00 32.41 H new ATOM 0 HD2 ARG A 24 -3.016 4.079 -10.888 1.00 44.01 H new ATOM 0 HD3 ARG A 24 -2.315 5.126 -9.669 1.00 44.01 H new ATOM 0 HE ARG A 24 -0.130 4.874 -11.039 1.00 11.02 H new ATOM 0 HH11 ARG A 24 -3.333 4.759 -12.448 1.00 1.11 H new ATOM 0 HH12 ARG A 24 -2.757 5.337 -14.015 1.00 1.11 H new ATOM 0 HH21 ARG A 24 0.548 5.566 -12.999 1.00 33.44 H new ATOM 0 HH22 ARG A 24 -0.605 5.783 -14.320 1.00 33.44 H new ATOM 404 N ILE A 25 -2.593 1.526 -5.539 1.00 63.21 N ATOM 405 CA ILE A 25 -3.254 1.218 -4.266 1.00 31.32 C ATOM 406 C ILE A 25 -3.481 2.478 -3.409 1.00 24.12 C ATOM 407 O ILE A 25 -2.640 3.379 -3.367 1.00 11.22 O ATOM 408 CB ILE A 25 -2.424 0.174 -3.464 1.00 52.40 C ATOM 409 CG1 ILE A 25 -3.044 -0.094 -2.080 1.00 32.21 C ATOM 410 CG2 ILE A 25 -0.969 0.627 -3.330 1.00 31.43 C ATOM 411 CD1 ILE A 25 -2.349 -1.191 -1.299 1.00 74.14 C ATOM 0 H ILE A 25 -1.832 2.201 -5.464 1.00 63.21 H new ATOM 0 HA ILE A 25 -4.232 0.801 -4.504 1.00 31.32 H new ATOM 0 HB ILE A 25 -2.442 -0.763 -4.021 1.00 52.40 H new ATOM 0 HG12 ILE A 25 -3.018 0.826 -1.497 1.00 32.21 H new ATOM 0 HG13 ILE A 25 -4.093 -0.361 -2.208 1.00 32.21 H new ATOM 0 HG21 ILE A 25 -0.407 -0.117 -2.766 1.00 31.43 H new ATOM 0 HG22 ILE A 25 -0.530 0.739 -4.321 1.00 31.43 H new ATOM 0 HG23 ILE A 25 -0.932 1.583 -2.807 1.00 31.43 H new ATOM 0 HD11 ILE A 25 -2.843 -1.321 -0.336 1.00 74.14 H new ATOM 0 HD12 ILE A 25 -2.397 -2.124 -1.860 1.00 74.14 H new ATOM 0 HD13 ILE A 25 -1.306 -0.918 -1.138 1.00 74.14 H new ATOM 423 N ASN A 26 -4.637 2.535 -2.746 1.00 55.11 N ATOM 424 CA ASN A 26 -4.946 3.611 -1.800 1.00 62.14 C ATOM 425 C ASN A 26 -4.153 3.415 -0.500 1.00 73.04 C ATOM 426 O ASN A 26 -4.494 2.564 0.326 1.00 41.34 O ATOM 427 CB ASN A 26 -6.448 3.624 -1.492 1.00 2.51 C ATOM 428 CG ASN A 26 -7.302 3.784 -2.736 1.00 25.22 C ATOM 429 OD1 ASN A 26 -6.933 4.479 -3.677 1.00 63.12 O ATOM 430 ND2 ASN A 26 -8.437 3.118 -2.765 1.00 63.50 N ATOM 0 H ASN A 26 -5.380 1.844 -2.847 1.00 55.11 H new ATOM 0 HA ASN A 26 -4.664 4.564 -2.249 1.00 62.14 H new ATOM 0 HB2 ASN A 26 -6.719 2.696 -0.988 1.00 2.51 H new ATOM 0 HB3 ASN A 26 -6.665 4.438 -0.800 1.00 2.51 H new ATOM 0 HD21 ASN A 26 -9.039 3.171 -3.587 1.00 63.50 H new ATOM 0 HD22 ASN A 26 -8.715 2.549 -1.965 1.00 63.50 H new ATOM 437 N VAL A 27 -3.096 4.194 -0.321 1.00 33.21 N ATOM 438 CA VAL A 27 -2.185 4.008 0.810 1.00 65.11 C ATOM 439 C VAL A 27 -2.418 5.039 1.922 1.00 35.54 C ATOM 440 O VAL A 27 -2.600 6.227 1.659 1.00 33.10 O ATOM 441 CB VAL A 27 -0.714 4.105 0.345 1.00 60.32 C ATOM 442 CG1 VAL A 27 0.241 3.735 1.471 1.00 22.32 C ATOM 443 CG2 VAL A 27 -0.479 3.230 -0.880 1.00 74.32 C ATOM 0 H VAL A 27 -2.844 4.963 -0.942 1.00 33.21 H new ATOM 0 HA VAL A 27 -2.389 3.015 1.211 1.00 65.11 H new ATOM 0 HB VAL A 27 -0.514 5.140 0.067 1.00 60.32 H new ATOM 0 HG11 VAL A 27 1.269 3.812 1.116 1.00 22.32 H new ATOM 0 HG12 VAL A 27 0.095 4.415 2.310 1.00 22.32 H new ATOM 0 HG13 VAL A 27 0.044 2.713 1.794 1.00 22.32 H new ATOM 0 HG21 VAL A 27 0.562 3.312 -1.192 1.00 74.32 H new ATOM 0 HG22 VAL A 27 -0.703 2.192 -0.634 1.00 74.32 H new ATOM 0 HG23 VAL A 27 -1.128 3.559 -1.692 1.00 74.32 H new ATOM 453 N VAL A 28 -2.405 4.577 3.168 1.00 31.33 N ATOM 454 CA VAL A 28 -2.475 5.466 4.324 1.00 34.40 C ATOM 455 C VAL A 28 -1.064 5.771 4.851 1.00 62.42 C ATOM 456 O VAL A 28 -0.362 4.879 5.334 1.00 34.33 O ATOM 457 CB VAL A 28 -3.330 4.851 5.462 1.00 54.11 C ATOM 458 CG1 VAL A 28 -3.402 5.796 6.661 1.00 14.24 C ATOM 459 CG2 VAL A 28 -4.733 4.508 4.956 1.00 11.32 C ATOM 0 H VAL A 28 -2.346 3.587 3.405 1.00 31.33 H new ATOM 0 HA VAL A 28 -2.950 6.391 3.997 1.00 34.40 H new ATOM 0 HB VAL A 28 -2.849 3.929 5.789 1.00 54.11 H new ATOM 0 HG11 VAL A 28 -4.007 5.342 7.446 1.00 14.24 H new ATOM 0 HG12 VAL A 28 -2.397 5.981 7.039 1.00 14.24 H new ATOM 0 HG13 VAL A 28 -3.854 6.739 6.354 1.00 14.24 H new ATOM 0 HG21 VAL A 28 -5.318 4.078 5.769 1.00 11.32 H new ATOM 0 HG22 VAL A 28 -5.222 5.414 4.597 1.00 11.32 H new ATOM 0 HG23 VAL A 28 -4.660 3.788 4.141 1.00 11.32 H new ATOM 469 N ASP A 29 -0.653 7.028 4.730 1.00 25.55 N ATOM 470 CA ASP A 29 0.662 7.470 5.195 1.00 52.51 C ATOM 471 C ASP A 29 0.664 7.635 6.731 1.00 50.12 C ATOM 472 O ASP A 29 -0.029 8.498 7.272 1.00 50.52 O ATOM 473 CB ASP A 29 1.027 8.791 4.500 1.00 42.53 C ATOM 474 CG ASP A 29 2.455 9.234 4.769 1.00 41.12 C ATOM 475 OD1 ASP A 29 2.751 9.635 5.910 1.00 34.31 O ATOM 476 OD2 ASP A 29 3.284 9.212 3.832 1.00 32.45 O ATOM 0 H ASP A 29 -1.216 7.768 4.310 1.00 25.55 H new ATOM 0 HA ASP A 29 1.409 6.718 4.941 1.00 52.51 H new ATOM 0 HB2 ASP A 29 0.884 8.680 3.425 1.00 42.53 H new ATOM 0 HB3 ASP A 29 0.343 9.571 4.834 1.00 42.53 H new ATOM 481 N PRO A 30 1.438 6.804 7.457 1.00 54.43 N ATOM 482 CA PRO A 30 1.461 6.825 8.931 1.00 45.23 C ATOM 483 C PRO A 30 2.314 7.967 9.513 1.00 12.04 C ATOM 484 O PRO A 30 2.303 8.210 10.722 1.00 75.45 O ATOM 485 CB PRO A 30 2.064 5.461 9.269 1.00 74.12 C ATOM 486 CG PRO A 30 2.998 5.190 8.141 1.00 24.15 C ATOM 487 CD PRO A 30 2.344 5.773 6.911 1.00 62.21 C ATOM 0 HA PRO A 30 0.472 6.999 9.356 1.00 45.23 H new ATOM 0 HB2 PRO A 30 2.588 5.482 10.225 1.00 74.12 H new ATOM 0 HB3 PRO A 30 1.295 4.692 9.344 1.00 74.12 H new ATOM 0 HG2 PRO A 30 3.970 5.649 8.321 1.00 24.15 H new ATOM 0 HG3 PRO A 30 3.167 4.120 8.023 1.00 24.15 H new ATOM 0 HD2 PRO A 30 3.079 6.204 6.232 1.00 62.21 H new ATOM 0 HD3 PRO A 30 1.797 5.015 6.350 1.00 62.21 H new ATOM 495 N GLU A 31 3.055 8.657 8.650 1.00 1.13 N ATOM 496 CA GLU A 31 3.916 9.767 9.075 1.00 3.54 C ATOM 497 C GLU A 31 3.161 11.109 9.055 1.00 75.31 C ATOM 498 O GLU A 31 3.423 11.997 9.872 1.00 2.12 O ATOM 499 CB GLU A 31 5.148 9.854 8.164 1.00 11.52 C ATOM 500 CG GLU A 31 5.899 8.534 7.994 1.00 61.01 C ATOM 501 CD GLU A 31 6.447 7.987 9.305 1.00 51.22 C ATOM 502 OE1 GLU A 31 7.549 8.406 9.714 1.00 63.34 O ATOM 503 OE2 GLU A 31 5.787 7.129 9.926 1.00 15.24 O ATOM 0 H GLU A 31 3.079 8.469 7.648 1.00 1.13 H new ATOM 0 HA GLU A 31 4.230 9.570 10.100 1.00 3.54 H new ATOM 0 HB2 GLU A 31 4.835 10.209 7.182 1.00 11.52 H new ATOM 0 HB3 GLU A 31 5.833 10.599 8.569 1.00 11.52 H new ATOM 0 HG2 GLU A 31 5.230 7.796 7.551 1.00 61.01 H new ATOM 0 HG3 GLU A 31 6.723 8.679 7.295 1.00 61.01 H new ATOM 510 N THR A 32 2.233 11.254 8.112 1.00 64.31 N ATOM 511 CA THR A 32 1.479 12.510 7.932 1.00 3.44 C ATOM 512 C THR A 32 -0.025 12.329 8.181 1.00 20.24 C ATOM 513 O THR A 32 -0.705 13.256 8.627 1.00 32.31 O ATOM 514 CB THR A 32 1.669 13.065 6.503 1.00 62.42 C ATOM 515 OG1 THR A 32 1.207 12.101 5.543 1.00 1.43 O ATOM 516 CG2 THR A 32 3.134 13.395 6.231 1.00 62.20 C ATOM 0 H THR A 32 1.978 10.518 7.453 1.00 64.31 H new ATOM 0 HA THR A 32 1.876 13.210 8.668 1.00 3.44 H new ATOM 0 HB THR A 32 1.088 13.983 6.414 1.00 62.42 H new ATOM 0 HG1 THR A 32 1.762 12.151 4.737 1.00 1.43 H new ATOM 0 HG21 THR A 32 3.237 13.784 5.218 1.00 62.20 H new ATOM 0 HG22 THR A 32 3.476 14.145 6.944 1.00 62.20 H new ATOM 0 HG23 THR A 32 3.736 12.492 6.337 1.00 62.20 H new ATOM 524 N GLY A 33 -0.546 11.139 7.881 1.00 62.14 N ATOM 525 CA GLY A 33 -1.967 10.859 8.095 1.00 13.05 C ATOM 526 C GLY A 33 -2.829 11.040 6.844 1.00 21.31 C ATOM 527 O GLY A 33 -4.061 11.061 6.929 1.00 54.24 O ATOM 0 H GLY A 33 -0.013 10.361 7.493 1.00 62.14 H new ATOM 0 HA2 GLY A 33 -2.076 9.836 8.454 1.00 13.05 H new ATOM 0 HA3 GLY A 33 -2.342 11.514 8.881 1.00 13.05 H new ATOM 531 N LYS A 34 -2.189 11.167 5.681 1.00 51.11 N ATOM 532 CA LYS A 34 -2.912 11.337 4.407 1.00 1.33 C ATOM 533 C LYS A 34 -3.228 9.987 3.739 1.00 22.22 C ATOM 534 O LYS A 34 -2.631 8.959 4.064 1.00 54.13 O ATOM 535 CB LYS A 34 -2.090 12.188 3.425 1.00 42.44 C ATOM 536 CG LYS A 34 -0.729 11.581 3.073 1.00 2.43 C ATOM 537 CD LYS A 34 -0.206 12.061 1.719 1.00 31.14 C ATOM 538 CE LYS A 34 -0.090 13.577 1.636 1.00 33.33 C ATOM 539 NZ LYS A 34 0.446 14.008 0.317 1.00 71.01 N ATOM 0 H LYS A 34 -1.173 11.156 5.588 1.00 51.11 H new ATOM 0 HA LYS A 34 -3.849 11.839 4.646 1.00 1.33 H new ATOM 0 HB2 LYS A 34 -2.664 12.326 2.509 1.00 42.44 H new ATOM 0 HB3 LYS A 34 -1.936 13.177 3.856 1.00 42.44 H new ATOM 0 HG2 LYS A 34 -0.008 11.839 3.849 1.00 2.43 H new ATOM 0 HG3 LYS A 34 -0.811 10.494 3.062 1.00 2.43 H new ATOM 0 HD2 LYS A 34 0.771 11.616 1.533 1.00 31.14 H new ATOM 0 HD3 LYS A 34 -0.872 11.708 0.931 1.00 31.14 H new ATOM 0 HE2 LYS A 34 -1.069 14.028 1.798 1.00 33.33 H new ATOM 0 HE3 LYS A 34 0.562 13.938 2.431 1.00 33.33 H new ATOM 0 HZ1 LYS A 34 0.000 14.905 0.037 1.00 71.01 H new ATOM 0 HZ2 LYS A 34 1.475 14.140 0.387 1.00 71.01 H new ATOM 0 HZ3 LYS A 34 0.238 13.281 -0.397 1.00 71.01 H new ATOM 553 N VAL A 35 -4.175 10.004 2.798 1.00 73.30 N ATOM 554 CA VAL A 35 -4.459 8.839 1.952 1.00 51.14 C ATOM 555 C VAL A 35 -3.885 9.063 0.539 1.00 11.11 C ATOM 556 O VAL A 35 -4.510 9.704 -0.311 1.00 45.04 O ATOM 557 CB VAL A 35 -5.981 8.549 1.855 1.00 55.13 C ATOM 558 CG1 VAL A 35 -6.244 7.287 1.028 1.00 43.41 C ATOM 559 CG2 VAL A 35 -6.598 8.427 3.251 1.00 25.12 C ATOM 0 H VAL A 35 -4.761 10.815 2.601 1.00 73.30 H new ATOM 0 HA VAL A 35 -3.983 7.975 2.415 1.00 51.14 H new ATOM 0 HB VAL A 35 -6.456 9.388 1.347 1.00 55.13 H new ATOM 0 HG11 VAL A 35 -7.317 7.104 0.974 1.00 43.41 H new ATOM 0 HG12 VAL A 35 -5.848 7.422 0.022 1.00 43.41 H new ATOM 0 HG13 VAL A 35 -5.754 6.435 1.499 1.00 43.41 H new ATOM 0 HG21 VAL A 35 -7.665 8.224 3.161 1.00 25.12 H new ATOM 0 HG22 VAL A 35 -6.118 7.611 3.791 1.00 25.12 H new ATOM 0 HG23 VAL A 35 -6.451 9.359 3.796 1.00 25.12 H new ATOM 569 N GLU A 36 -2.683 8.551 0.304 1.00 14.21 N ATOM 570 CA GLU A 36 -1.968 8.791 -0.953 1.00 61.31 C ATOM 571 C GLU A 36 -1.996 7.547 -1.855 1.00 13.22 C ATOM 572 O GLU A 36 -1.834 6.428 -1.382 1.00 12.44 O ATOM 573 CB GLU A 36 -0.514 9.189 -0.649 1.00 1.42 C ATOM 574 CG GLU A 36 0.234 9.783 -1.836 1.00 11.23 C ATOM 575 CD GLU A 36 -0.361 11.103 -2.301 1.00 52.42 C ATOM 576 OE1 GLU A 36 -0.049 12.148 -1.693 1.00 74.45 O ATOM 577 OE2 GLU A 36 -1.140 11.101 -3.279 1.00 11.12 O ATOM 0 H GLU A 36 -2.177 7.964 0.968 1.00 14.21 H new ATOM 0 HA GLU A 36 -2.467 9.602 -1.484 1.00 61.31 H new ATOM 0 HB2 GLU A 36 -0.510 9.912 0.167 1.00 1.42 H new ATOM 0 HB3 GLU A 36 0.025 8.309 -0.298 1.00 1.42 H new ATOM 0 HG2 GLU A 36 1.278 9.935 -1.563 1.00 11.23 H new ATOM 0 HG3 GLU A 36 0.221 9.072 -2.662 1.00 11.23 H new ATOM 584 N ILE A 37 -2.201 7.747 -3.154 1.00 43.53 N ATOM 585 CA ILE A 37 -2.232 6.632 -4.108 1.00 25.42 C ATOM 586 C ILE A 37 -0.813 6.261 -4.578 1.00 72.41 C ATOM 587 O ILE A 37 -0.093 7.098 -5.127 1.00 34.35 O ATOM 588 CB ILE A 37 -3.112 6.971 -5.339 1.00 71.43 C ATOM 589 CG1 ILE A 37 -4.547 7.310 -4.892 1.00 64.23 C ATOM 590 CG2 ILE A 37 -3.115 5.807 -6.337 1.00 3.21 C ATOM 591 CD1 ILE A 37 -5.469 7.706 -6.027 1.00 70.41 C ATOM 0 H ILE A 37 -2.348 8.665 -3.573 1.00 43.53 H new ATOM 0 HA ILE A 37 -2.666 5.778 -3.588 1.00 25.42 H new ATOM 0 HB ILE A 37 -2.691 7.844 -5.838 1.00 71.43 H new ATOM 0 HG12 ILE A 37 -4.970 6.447 -4.378 1.00 64.23 H new ATOM 0 HG13 ILE A 37 -4.508 8.124 -4.168 1.00 64.23 H new ATOM 0 HG21 ILE A 37 -3.738 6.064 -7.194 1.00 3.21 H new ATOM 0 HG22 ILE A 37 -2.096 5.614 -6.674 1.00 3.21 H new ATOM 0 HG23 ILE A 37 -3.513 4.915 -5.854 1.00 3.21 H new ATOM 0 HD11 ILE A 37 -6.459 7.929 -5.630 1.00 70.41 H new ATOM 0 HD12 ILE A 37 -5.071 8.589 -6.528 1.00 70.41 H new ATOM 0 HD13 ILE A 37 -5.540 6.885 -6.741 1.00 70.41 H new ATOM 603 N ALA A 38 -0.411 5.011 -4.354 1.00 64.04 N ATOM 604 CA ALA A 38 0.913 4.528 -4.772 1.00 2.32 C ATOM 605 C ALA A 38 0.814 3.562 -5.963 1.00 22.23 C ATOM 606 O ALA A 38 -0.182 2.858 -6.120 1.00 62.43 O ATOM 607 CB ALA A 38 1.617 3.846 -3.605 1.00 63.30 C ATOM 0 H ALA A 38 -0.982 4.309 -3.884 1.00 64.04 H new ATOM 0 HA ALA A 38 1.495 5.393 -5.090 1.00 2.32 H new ATOM 0 HB1 ALA A 38 2.596 3.493 -3.927 1.00 63.30 H new ATOM 0 HB2 ALA A 38 1.739 4.557 -2.788 1.00 63.30 H new ATOM 0 HB3 ALA A 38 1.020 3.000 -3.264 1.00 63.30 H new ATOM 613 N GLU A 39 1.853 3.530 -6.796 1.00 30.10 N ATOM 614 CA GLU A 39 1.898 2.627 -7.954 1.00 11.12 C ATOM 615 C GLU A 39 2.626 1.317 -7.597 1.00 54.42 C ATOM 616 O GLU A 39 3.793 1.332 -7.198 1.00 72.11 O ATOM 617 CB GLU A 39 2.579 3.326 -9.144 1.00 60.53 C ATOM 618 CG GLU A 39 1.913 4.648 -9.528 1.00 45.23 C ATOM 619 CD GLU A 39 2.437 5.232 -10.834 1.00 43.02 C ATOM 620 OE1 GLU A 39 1.876 4.902 -11.901 1.00 23.43 O ATOM 621 OE2 GLU A 39 3.398 6.028 -10.802 1.00 75.04 O ATOM 0 H GLU A 39 2.679 4.119 -6.693 1.00 30.10 H new ATOM 0 HA GLU A 39 0.877 2.375 -8.239 1.00 11.12 H new ATOM 0 HB2 GLU A 39 3.625 3.511 -8.898 1.00 60.53 H new ATOM 0 HB3 GLU A 39 2.568 2.657 -10.005 1.00 60.53 H new ATOM 0 HG2 GLU A 39 0.837 4.493 -9.613 1.00 45.23 H new ATOM 0 HG3 GLU A 39 2.068 5.371 -8.727 1.00 45.23 H new ATOM 628 N ILE A 40 1.926 0.189 -7.741 1.00 10.55 N ATOM 629 CA ILE A 40 2.443 -1.118 -7.304 1.00 24.34 C ATOM 630 C ILE A 40 3.395 -1.746 -8.335 1.00 54.01 C ATOM 631 O ILE A 40 3.009 -2.014 -9.471 1.00 45.23 O ATOM 632 CB ILE A 40 1.286 -2.117 -7.036 1.00 63.40 C ATOM 633 CG1 ILE A 40 0.300 -1.545 -6.004 1.00 60.41 C ATOM 634 CG2 ILE A 40 1.828 -3.473 -6.572 1.00 5.54 C ATOM 635 CD1 ILE A 40 -0.876 -2.456 -5.706 1.00 33.34 C ATOM 0 H ILE A 40 0.996 0.151 -8.158 1.00 10.55 H new ATOM 0 HA ILE A 40 2.996 -0.928 -6.384 1.00 24.34 H new ATOM 0 HB ILE A 40 0.750 -2.270 -7.973 1.00 63.40 H new ATOM 0 HG12 ILE A 40 0.836 -1.345 -5.076 1.00 60.41 H new ATOM 0 HG13 ILE A 40 -0.077 -0.589 -6.367 1.00 60.41 H new ATOM 0 HG21 ILE A 40 0.997 -4.154 -6.391 1.00 5.54 H new ATOM 0 HG22 ILE A 40 2.477 -3.889 -7.343 1.00 5.54 H new ATOM 0 HG23 ILE A 40 2.397 -3.342 -5.651 1.00 5.54 H new ATOM 0 HD11 ILE A 40 -1.525 -1.983 -4.970 1.00 33.34 H new ATOM 0 HD12 ILE A 40 -1.438 -2.637 -6.622 1.00 33.34 H new ATOM 0 HD13 ILE A 40 -0.511 -3.404 -5.311 1.00 33.34 H new ATOM 647 N ARG A 41 4.637 -1.993 -7.929 1.00 42.34 N ATOM 648 CA ARG A 41 5.592 -2.695 -8.789 1.00 53.42 C ATOM 649 C ARG A 41 5.383 -4.218 -8.719 1.00 13.00 C ATOM 650 O ARG A 41 5.129 -4.873 -9.734 1.00 25.11 O ATOM 651 CB ARG A 41 7.031 -2.361 -8.365 1.00 22.24 C ATOM 652 CG ARG A 41 7.385 -0.877 -8.431 1.00 40.25 C ATOM 653 CD ARG A 41 7.336 -0.333 -9.858 1.00 4.02 C ATOM 654 NE ARG A 41 8.131 -1.132 -10.789 1.00 60.43 N ATOM 655 CZ ARG A 41 9.438 -1.195 -10.794 1.00 42.31 C ATOM 656 NH1 ARG A 41 10.146 -0.562 -9.910 1.00 35.01 N ATOM 657 NH2 ARG A 41 10.039 -1.910 -11.685 1.00 31.35 N ATOM 0 H ARG A 41 5.006 -1.721 -7.018 1.00 42.34 H new ATOM 0 HA ARG A 41 5.425 -2.364 -9.814 1.00 53.42 H new ATOM 0 HB2 ARG A 41 7.186 -2.713 -7.345 1.00 22.24 H new ATOM 0 HB3 ARG A 41 7.721 -2.914 -9.002 1.00 22.24 H new ATOM 0 HG2 ARG A 41 6.694 -0.313 -7.805 1.00 40.25 H new ATOM 0 HG3 ARG A 41 8.383 -0.725 -8.021 1.00 40.25 H new ATOM 0 HD2 ARG A 41 6.301 -0.307 -10.198 1.00 4.02 H new ATOM 0 HD3 ARG A 41 7.699 0.695 -9.864 1.00 4.02 H new ATOM 0 HE ARG A 41 7.629 -1.681 -11.487 1.00 60.43 H new ATOM 0 HH11 ARG A 41 9.685 -0.002 -9.193 1.00 35.01 H new ATOM 0 HH12 ARG A 41 11.164 -0.625 -9.932 1.00 35.01 H new ATOM 0 HH21 ARG A 41 9.495 -2.422 -12.380 1.00 31.35 H new ATOM 0 HH22 ARG A 41 11.058 -1.963 -11.694 1.00 31.35 H new ATOM 671 N ASN A 42 5.444 -4.767 -7.501 1.00 22.34 N ATOM 672 CA ASN A 42 5.334 -6.218 -7.280 1.00 11.24 C ATOM 673 C ASN A 42 4.587 -6.531 -5.970 1.00 32.44 C ATOM 674 O ASN A 42 4.582 -5.724 -5.039 1.00 70.25 O ATOM 675 CB ASN A 42 6.730 -6.862 -7.214 1.00 25.45 C ATOM 676 CG ASN A 42 7.528 -6.752 -8.505 1.00 63.25 C ATOM 677 OD1 ASN A 42 8.749 -6.637 -8.481 1.00 71.20 O ATOM 678 ND2 ASN A 42 6.861 -6.811 -9.640 1.00 54.23 N ATOM 0 H ASN A 42 5.570 -4.226 -6.646 1.00 22.34 H new ATOM 0 HA ASN A 42 4.773 -6.629 -8.119 1.00 11.24 H new ATOM 0 HB2 ASN A 42 7.296 -6.394 -6.409 1.00 25.45 H new ATOM 0 HB3 ASN A 42 6.620 -7.915 -6.956 1.00 25.45 H new ATOM 0 HD21 ASN A 42 7.360 -6.761 -10.528 1.00 54.23 H new ATOM 0 HD22 ASN A 42 5.846 -6.907 -9.630 1.00 54.23 H new ATOM 685 N VAL A 43 3.988 -7.720 -5.899 1.00 51.01 N ATOM 686 CA VAL A 43 3.301 -8.192 -4.683 1.00 55.42 C ATOM 687 C VAL A 43 4.229 -9.109 -3.847 1.00 4.42 C ATOM 688 O VAL A 43 3.786 -10.028 -3.156 1.00 24.11 O ATOM 689 CB VAL A 43 1.985 -8.937 -5.060 1.00 21.12 C ATOM 690 CG1 VAL A 43 2.274 -10.232 -5.823 1.00 12.40 C ATOM 691 CG2 VAL A 43 1.121 -9.205 -3.826 1.00 75.04 C ATOM 0 H VAL A 43 3.962 -8.383 -6.673 1.00 51.01 H new ATOM 0 HA VAL A 43 3.046 -7.325 -4.073 1.00 55.42 H new ATOM 0 HB VAL A 43 1.420 -8.282 -5.723 1.00 21.12 H new ATOM 0 HG11 VAL A 43 1.334 -10.726 -6.070 1.00 12.40 H new ATOM 0 HG12 VAL A 43 2.815 -10.001 -6.741 1.00 12.40 H new ATOM 0 HG13 VAL A 43 2.879 -10.893 -5.202 1.00 12.40 H new ATOM 0 HG21 VAL A 43 0.211 -9.726 -4.125 1.00 75.04 H new ATOM 0 HG22 VAL A 43 1.677 -9.822 -3.120 1.00 75.04 H new ATOM 0 HG23 VAL A 43 0.859 -8.259 -3.353 1.00 75.04 H new ATOM 701 N VAL A 44 5.530 -8.830 -3.898 1.00 24.22 N ATOM 702 CA VAL A 44 6.530 -9.653 -3.211 1.00 40.02 C ATOM 703 C VAL A 44 6.521 -9.410 -1.680 1.00 61.22 C ATOM 704 O VAL A 44 7.316 -8.633 -1.138 1.00 63.10 O ATOM 705 CB VAL A 44 7.945 -9.413 -3.817 1.00 34.13 C ATOM 706 CG1 VAL A 44 8.354 -7.942 -3.736 1.00 2.41 C ATOM 707 CG2 VAL A 44 8.982 -10.313 -3.156 1.00 71.51 C ATOM 0 H VAL A 44 5.920 -8.038 -4.409 1.00 24.22 H new ATOM 0 HA VAL A 44 6.266 -10.699 -3.367 1.00 40.02 H new ATOM 0 HB VAL A 44 7.897 -9.675 -4.874 1.00 34.13 H new ATOM 0 HG11 VAL A 44 9.346 -7.816 -4.169 1.00 2.41 H new ATOM 0 HG12 VAL A 44 7.637 -7.334 -4.288 1.00 2.41 H new ATOM 0 HG13 VAL A 44 8.370 -7.626 -2.693 1.00 2.41 H new ATOM 0 HG21 VAL A 44 9.961 -10.125 -3.597 1.00 71.51 H new ATOM 0 HG22 VAL A 44 9.019 -10.101 -2.087 1.00 71.51 H new ATOM 0 HG23 VAL A 44 8.709 -11.357 -3.310 1.00 71.51 H new ATOM 717 N GLU A 45 5.593 -10.080 -0.993 1.00 64.44 N ATOM 718 CA GLU A 45 5.396 -9.893 0.453 1.00 71.43 C ATOM 719 C GLU A 45 6.482 -10.588 1.305 1.00 4.05 C ATOM 720 O GLU A 45 6.312 -11.730 1.743 1.00 14.21 O ATOM 721 CB GLU A 45 3.999 -10.393 0.873 1.00 61.43 C ATOM 722 CG GLU A 45 3.682 -11.820 0.422 1.00 34.03 C ATOM 723 CD GLU A 45 2.477 -12.410 1.142 1.00 10.10 C ATOM 724 OE1 GLU A 45 2.633 -12.846 2.303 1.00 14.42 O ATOM 725 OE2 GLU A 45 1.368 -12.440 0.562 1.00 74.31 O ATOM 0 H GLU A 45 4.961 -10.761 -1.414 1.00 64.44 H new ATOM 0 HA GLU A 45 5.478 -8.823 0.642 1.00 71.43 H new ATOM 0 HB2 GLU A 45 3.918 -10.341 1.959 1.00 61.43 H new ATOM 0 HB3 GLU A 45 3.246 -9.719 0.464 1.00 61.43 H new ATOM 0 HG2 GLU A 45 3.496 -11.824 -0.652 1.00 34.03 H new ATOM 0 HG3 GLU A 45 4.551 -12.454 0.598 1.00 34.03 H new ATOM 732 N ASN A 46 7.605 -9.890 1.521 1.00 41.53 N ATOM 733 CA ASN A 46 8.684 -10.375 2.408 1.00 44.13 C ATOM 734 C ASN A 46 9.082 -11.827 2.083 1.00 20.25 C ATOM 735 O ASN A 46 9.402 -12.613 2.976 1.00 11.30 O ATOM 736 CB ASN A 46 8.235 -10.278 3.873 1.00 54.42 C ATOM 737 CG ASN A 46 7.690 -8.907 4.228 1.00 32.12 C ATOM 738 OD1 ASN A 46 6.503 -8.643 4.077 1.00 51.44 O ATOM 739 ND2 ASN A 46 8.541 -8.025 4.712 1.00 4.53 N ATOM 0 H ASN A 46 7.795 -8.983 1.094 1.00 41.53 H new ATOM 0 HA ASN A 46 9.558 -9.744 2.244 1.00 44.13 H new ATOM 0 HB2 ASN A 46 7.469 -11.030 4.065 1.00 54.42 H new ATOM 0 HB3 ASN A 46 9.079 -10.509 4.524 1.00 54.42 H new ATOM 0 HD21 ASN A 46 8.217 -7.093 4.972 1.00 4.53 H new ATOM 0 HD22 ASN A 46 9.524 -8.274 4.826 1.00 4.53 H new ATOM 746 N THR A 47 9.084 -12.171 0.799 1.00 5.41 N ATOM 747 CA THR A 47 9.251 -13.566 0.378 1.00 64.25 C ATOM 748 C THR A 47 10.690 -14.071 0.557 1.00 2.43 C ATOM 749 O THR A 47 11.484 -14.083 -0.386 1.00 64.34 O ATOM 750 CB THR A 47 8.814 -13.782 -1.093 1.00 14.44 C ATOM 751 OG1 THR A 47 9.650 -13.024 -1.986 1.00 61.50 O ATOM 752 CG2 THR A 47 7.359 -13.371 -1.290 1.00 52.34 C ATOM 0 H THR A 47 8.973 -11.509 0.031 1.00 5.41 H new ATOM 0 HA THR A 47 8.601 -14.146 1.033 1.00 64.25 H new ATOM 0 HB THR A 47 8.918 -14.843 -1.319 1.00 14.44 H new ATOM 0 HG1 THR A 47 10.592 -13.222 -1.800 1.00 61.50 H new ATOM 0 HG21 THR A 47 7.073 -13.531 -2.330 1.00 52.34 H new ATOM 0 HG22 THR A 47 6.720 -13.971 -0.642 1.00 52.34 H new ATOM 0 HG23 THR A 47 7.242 -12.317 -1.040 1.00 52.34 H new ATOM 760 N ALA A 48 11.029 -14.460 1.782 1.00 5.24 N ATOM 761 CA ALA A 48 12.305 -15.127 2.058 1.00 4.11 C ATOM 762 C ALA A 48 12.153 -16.654 1.965 1.00 64.44 C ATOM 763 O ALA A 48 13.140 -17.392 1.965 1.00 55.20 O ATOM 764 CB ALA A 48 12.824 -14.720 3.432 1.00 42.03 C ATOM 0 H ALA A 48 10.439 -14.326 2.603 1.00 5.24 H new ATOM 0 HA ALA A 48 13.029 -14.814 1.306 1.00 4.11 H new ATOM 0 HB1 ALA A 48 13.772 -15.222 3.626 1.00 42.03 H new ATOM 0 HB2 ALA A 48 12.972 -13.640 3.460 1.00 42.03 H new ATOM 0 HB3 ALA A 48 12.099 -15.006 4.194 1.00 42.03 H new ATOM 770 N ASN A 49 10.902 -17.109 1.889 1.00 62.42 N ATOM 771 CA ASN A 49 10.581 -18.536 1.774 1.00 72.04 C ATOM 772 C ASN A 49 11.044 -19.118 0.423 1.00 61.43 C ATOM 773 O ASN A 49 10.587 -18.687 -0.639 1.00 45.00 O ATOM 774 CB ASN A 49 9.066 -18.748 1.929 1.00 72.34 C ATOM 775 CG ASN A 49 8.534 -18.308 3.283 1.00 61.42 C ATOM 776 OD1 ASN A 49 9.046 -17.380 3.901 1.00 22.52 O ATOM 777 ND2 ASN A 49 7.493 -18.971 3.749 1.00 71.43 N ATOM 0 H ASN A 49 10.083 -16.502 1.905 1.00 62.42 H new ATOM 0 HA ASN A 49 11.113 -19.058 2.569 1.00 72.04 H new ATOM 0 HB2 ASN A 49 8.547 -18.196 1.145 1.00 72.34 H new ATOM 0 HB3 ASN A 49 8.837 -19.803 1.781 1.00 72.34 H new ATOM 0 HD21 ASN A 49 7.088 -18.717 4.650 1.00 71.43 H new ATOM 0 HD22 ASN A 49 7.093 -19.738 3.208 1.00 71.43 H new ATOM 784 N PRO A 50 11.944 -20.120 0.443 1.00 53.43 N ATOM 785 CA PRO A 50 12.418 -20.785 -0.786 1.00 41.21 C ATOM 786 C PRO A 50 11.321 -21.620 -1.475 1.00 43.13 C ATOM 787 O PRO A 50 11.386 -21.879 -2.677 1.00 14.41 O ATOM 788 CB PRO A 50 13.555 -21.689 -0.284 1.00 23.25 C ATOM 789 CG PRO A 50 13.233 -21.939 1.151 1.00 74.01 C ATOM 790 CD PRO A 50 12.584 -20.677 1.653 1.00 20.53 C ATOM 0 HA PRO A 50 12.729 -20.064 -1.542 1.00 41.21 H new ATOM 0 HB2 PRO A 50 13.599 -22.621 -0.848 1.00 23.25 H new ATOM 0 HB3 PRO A 50 14.525 -21.204 -0.394 1.00 23.25 H new ATOM 0 HG2 PRO A 50 12.563 -22.792 1.258 1.00 74.01 H new ATOM 0 HG3 PRO A 50 14.134 -22.168 1.720 1.00 74.01 H new ATOM 0 HD2 PRO A 50 11.854 -20.884 2.435 1.00 20.53 H new ATOM 0 HD3 PRO A 50 13.316 -19.988 2.074 1.00 20.53 H new ATOM 798 N HIS A 51 10.309 -22.035 -0.713 1.00 52.31 N ATOM 799 CA HIS A 51 9.206 -22.839 -1.260 1.00 14.12 C ATOM 800 C HIS A 51 8.025 -21.949 -1.698 1.00 32.04 C ATOM 801 O HIS A 51 6.936 -22.440 -1.996 1.00 1.42 O ATOM 802 CB HIS A 51 8.751 -23.875 -0.216 1.00 53.22 C ATOM 803 CG HIS A 51 7.748 -24.868 -0.732 1.00 35.00 C ATOM 804 ND1 HIS A 51 6.451 -24.932 -0.276 1.00 30.24 N ATOM 805 CD2 HIS A 51 7.861 -25.843 -1.665 1.00 4.43 C ATOM 806 CE1 HIS A 51 5.810 -25.897 -0.903 1.00 43.30 C ATOM 807 NE2 HIS A 51 6.641 -26.464 -1.752 1.00 3.12 N ATOM 0 H HIS A 51 10.226 -21.831 0.283 1.00 52.31 H new ATOM 0 HA HIS A 51 9.566 -23.361 -2.147 1.00 14.12 H new ATOM 0 HB2 HIS A 51 9.625 -24.414 0.149 1.00 53.22 H new ATOM 0 HB3 HIS A 51 8.321 -23.350 0.637 1.00 53.22 H new ATOM 0 HD2 HIS A 51 8.746 -26.086 -2.234 1.00 4.43 H new ATOM 0 HE1 HIS A 51 4.778 -26.176 -0.747 1.00 43.30 H new ATOM 0 HE2 HIS A 51 6.414 -27.240 -2.374 1.00 3.12 H new ATOM 816 N PHE A 52 8.248 -20.636 -1.755 1.00 71.23 N ATOM 817 CA PHE A 52 7.203 -19.694 -2.169 1.00 74.32 C ATOM 818 C PHE A 52 6.875 -19.829 -3.668 1.00 31.40 C ATOM 819 O PHE A 52 7.649 -19.401 -4.530 1.00 12.25 O ATOM 820 CB PHE A 52 7.620 -18.249 -1.850 1.00 11.24 C ATOM 821 CG PHE A 52 6.586 -17.215 -2.238 1.00 75.03 C ATOM 822 CD1 PHE A 52 5.503 -16.951 -1.410 1.00 53.41 C ATOM 823 CD2 PHE A 52 6.693 -16.514 -3.432 1.00 10.14 C ATOM 824 CE1 PHE A 52 4.552 -16.013 -1.765 1.00 43.34 C ATOM 825 CE2 PHE A 52 5.742 -15.577 -3.792 1.00 23.23 C ATOM 826 CZ PHE A 52 4.670 -15.326 -2.957 1.00 14.24 C ATOM 0 H PHE A 52 9.140 -20.199 -1.521 1.00 71.23 H new ATOM 0 HA PHE A 52 6.303 -19.939 -1.605 1.00 74.32 H new ATOM 0 HB2 PHE A 52 7.820 -18.166 -0.782 1.00 11.24 H new ATOM 0 HB3 PHE A 52 8.554 -18.028 -2.367 1.00 11.24 H new ATOM 0 HD1 PHE A 52 5.403 -17.485 -0.477 1.00 53.41 H new ATOM 0 HD2 PHE A 52 7.530 -16.703 -4.088 1.00 10.14 H new ATOM 0 HE1 PHE A 52 3.716 -15.817 -1.110 1.00 43.34 H new ATOM 0 HE2 PHE A 52 5.837 -15.042 -4.725 1.00 23.23 H new ATOM 0 HZ PHE A 52 3.926 -14.594 -3.236 1.00 14.24 H new ATOM 836 N VAL A 53 5.734 -20.441 -3.965 1.00 0.31 N ATOM 837 CA VAL A 53 5.228 -20.548 -5.337 1.00 34.15 C ATOM 838 C VAL A 53 3.718 -20.258 -5.381 1.00 61.24 C ATOM 839 O VAL A 53 2.910 -20.990 -4.804 1.00 73.34 O ATOM 840 CB VAL A 53 5.529 -21.945 -5.945 1.00 4.11 C ATOM 841 CG1 VAL A 53 5.039 -23.071 -5.033 1.00 11.11 C ATOM 842 CG2 VAL A 53 4.913 -22.076 -7.338 1.00 74.33 C ATOM 0 H VAL A 53 5.132 -20.877 -3.267 1.00 0.31 H new ATOM 0 HA VAL A 53 5.746 -19.802 -5.940 1.00 34.15 H new ATOM 0 HB VAL A 53 6.611 -22.037 -6.035 1.00 4.11 H new ATOM 0 HG11 VAL A 53 5.266 -24.034 -5.490 1.00 11.11 H new ATOM 0 HG12 VAL A 53 5.539 -23.001 -4.067 1.00 11.11 H new ATOM 0 HG13 VAL A 53 3.962 -22.982 -4.891 1.00 11.11 H new ATOM 0 HG21 VAL A 53 5.137 -23.063 -7.744 1.00 74.33 H new ATOM 0 HG22 VAL A 53 3.833 -21.948 -7.272 1.00 74.33 H new ATOM 0 HG23 VAL A 53 5.330 -21.311 -7.993 1.00 74.33 H new ATOM 852 N ARG A 54 3.336 -19.177 -6.061 1.00 42.43 N ATOM 853 CA ARG A 54 1.939 -18.730 -6.069 1.00 5.53 C ATOM 854 C ARG A 54 1.682 -17.730 -7.204 1.00 13.55 C ATOM 855 O ARG A 54 2.567 -16.957 -7.570 1.00 60.11 O ATOM 856 CB ARG A 54 1.604 -18.083 -4.716 1.00 42.23 C ATOM 857 CG ARG A 54 0.114 -17.842 -4.485 1.00 71.24 C ATOM 858 CD ARG A 54 -0.145 -17.207 -3.123 1.00 10.40 C ATOM 859 NE ARG A 54 -1.565 -17.203 -2.787 1.00 64.52 N ATOM 860 CZ ARG A 54 -2.043 -16.881 -1.615 1.00 10.44 C ATOM 861 NH1 ARG A 54 -1.257 -16.480 -0.667 1.00 42.23 N ATOM 862 NH2 ARG A 54 -3.315 -16.952 -1.401 1.00 0.41 N ATOM 0 H ARG A 54 3.969 -18.596 -6.611 1.00 42.43 H new ATOM 0 HA ARG A 54 1.299 -19.597 -6.234 1.00 5.53 H new ATOM 0 HB2 ARG A 54 1.985 -18.720 -3.918 1.00 42.23 H new ATOM 0 HB3 ARG A 54 2.130 -17.131 -4.642 1.00 42.23 H new ATOM 0 HG2 ARG A 54 -0.277 -17.194 -5.270 1.00 71.24 H new ATOM 0 HG3 ARG A 54 -0.424 -18.788 -4.555 1.00 71.24 H new ATOM 0 HD2 ARG A 54 0.408 -17.751 -2.357 1.00 10.40 H new ATOM 0 HD3 ARG A 54 0.232 -16.184 -3.122 1.00 10.40 H new ATOM 0 HE ARG A 54 -2.228 -17.469 -3.515 1.00 64.52 H new ATOM 0 HH11 ARG A 54 -0.253 -16.413 -0.831 1.00 42.23 H new ATOM 0 HH12 ARG A 54 -1.642 -16.231 0.244 1.00 42.23 H new ATOM 0 HH21 ARG A 54 -3.941 -17.258 -2.146 1.00 0.41 H new ATOM 0 HH22 ARG A 54 -3.693 -16.702 -0.487 1.00 0.41 H new ATOM 876 N ARG A 55 0.470 -17.749 -7.762 1.00 13.34 N ATOM 877 CA ARG A 55 0.091 -16.794 -8.812 1.00 12.44 C ATOM 878 C ARG A 55 -0.198 -15.396 -8.221 1.00 74.45 C ATOM 879 O ARG A 55 0.043 -15.141 -7.039 1.00 20.43 O ATOM 880 CB ARG A 55 -1.142 -17.292 -9.581 1.00 65.21 C ATOM 881 CG ARG A 55 -0.991 -18.689 -10.174 1.00 63.02 C ATOM 882 CD ARG A 55 -2.120 -19.020 -11.147 1.00 65.22 C ATOM 883 NE ARG A 55 -3.446 -18.791 -10.568 1.00 23.12 N ATOM 884 CZ ARG A 55 -4.504 -18.477 -11.267 1.00 73.24 C ATOM 885 NH1 ARG A 55 -4.429 -18.357 -12.555 1.00 23.01 N ATOM 886 NH2 ARG A 55 -5.638 -18.281 -10.675 1.00 1.12 N ATOM 0 H ARG A 55 -0.264 -18.410 -7.508 1.00 13.34 H new ATOM 0 HA ARG A 55 0.934 -16.714 -9.499 1.00 12.44 H new ATOM 0 HB2 ARG A 55 -2.001 -17.286 -8.910 1.00 65.21 H new ATOM 0 HB3 ARG A 55 -1.361 -16.590 -10.386 1.00 65.21 H new ATOM 0 HG2 ARG A 55 -0.034 -18.763 -10.690 1.00 63.02 H new ATOM 0 HG3 ARG A 55 -0.977 -19.425 -9.370 1.00 63.02 H new ATOM 0 HD2 ARG A 55 -2.010 -18.413 -12.046 1.00 65.22 H new ATOM 0 HD3 ARG A 55 -2.036 -20.063 -11.454 1.00 65.22 H new ATOM 0 HE ARG A 55 -3.550 -18.882 -9.557 1.00 23.12 H new ATOM 0 HH11 ARG A 55 -3.539 -18.508 -13.030 1.00 23.01 H new ATOM 0 HH12 ARG A 55 -5.260 -18.112 -13.094 1.00 23.01 H new ATOM 0 HH21 ARG A 55 -5.707 -18.372 -9.661 1.00 1.12 H new ATOM 0 HH22 ARG A 55 -6.463 -18.036 -11.222 1.00 1.12 H new ATOM 900 N ASN A 56 -0.730 -14.500 -9.050 1.00 64.10 N ATOM 901 CA ASN A 56 -1.054 -13.136 -8.616 1.00 11.11 C ATOM 902 C ASN A 56 -2.268 -13.111 -7.664 1.00 24.11 C ATOM 903 O ASN A 56 -3.394 -12.807 -8.075 1.00 13.11 O ATOM 904 CB ASN A 56 -1.321 -12.248 -9.841 1.00 51.00 C ATOM 905 CG ASN A 56 -1.655 -10.810 -9.477 1.00 14.20 C ATOM 906 OD1 ASN A 56 -1.167 -10.269 -8.493 1.00 51.13 O ATOM 907 ND2 ASN A 56 -2.499 -10.182 -10.273 1.00 44.43 N ATOM 0 H ASN A 56 -0.947 -14.691 -10.028 1.00 64.10 H new ATOM 0 HA ASN A 56 -0.197 -12.748 -8.065 1.00 11.11 H new ATOM 0 HB2 ASN A 56 -0.443 -12.258 -10.487 1.00 51.00 H new ATOM 0 HB3 ASN A 56 -2.145 -12.671 -10.416 1.00 51.00 H new ATOM 0 HD21 ASN A 56 -2.763 -9.217 -10.077 1.00 44.43 H new ATOM 0 HD22 ASN A 56 -2.887 -10.662 -11.085 1.00 44.43 H new ATOM 914 N ILE A 57 -2.046 -13.470 -6.400 1.00 52.43 N ATOM 915 CA ILE A 57 -3.092 -13.367 -5.374 1.00 31.14 C ATOM 916 C ILE A 57 -2.708 -12.340 -4.298 1.00 50.01 C ATOM 917 O ILE A 57 -1.945 -12.635 -3.373 1.00 25.31 O ATOM 918 CB ILE A 57 -3.417 -14.732 -4.690 1.00 22.54 C ATOM 919 CG1 ILE A 57 -4.063 -15.723 -5.683 1.00 44.02 C ATOM 920 CG2 ILE A 57 -4.340 -14.528 -3.486 1.00 15.33 C ATOM 921 CD1 ILE A 57 -3.097 -16.345 -6.665 1.00 73.24 C ATOM 0 H ILE A 57 -1.156 -13.834 -6.059 1.00 52.43 H new ATOM 0 HA ILE A 57 -3.990 -13.038 -5.898 1.00 31.14 H new ATOM 0 HB ILE A 57 -2.473 -15.157 -4.348 1.00 22.54 H new ATOM 0 HG12 ILE A 57 -4.550 -16.518 -5.118 1.00 44.02 H new ATOM 0 HG13 ILE A 57 -4.843 -15.204 -6.239 1.00 44.02 H new ATOM 0 HG21 ILE A 57 -4.554 -15.492 -3.024 1.00 15.33 H new ATOM 0 HG22 ILE A 57 -3.852 -13.878 -2.760 1.00 15.33 H new ATOM 0 HG23 ILE A 57 -5.272 -14.069 -3.816 1.00 15.33 H new ATOM 0 HD11 ILE A 57 -3.636 -17.027 -7.323 1.00 73.24 H new ATOM 0 HD12 ILE A 57 -2.628 -15.561 -7.260 1.00 73.24 H new ATOM 0 HD13 ILE A 57 -2.330 -16.896 -6.121 1.00 73.24 H new ATOM 933 N ILE A 58 -3.216 -11.120 -4.450 1.00 64.13 N ATOM 934 CA ILE A 58 -3.065 -10.086 -3.428 1.00 63.20 C ATOM 935 C ILE A 58 -4.072 -10.321 -2.292 1.00 11.05 C ATOM 936 O ILE A 58 -5.281 -10.393 -2.524 1.00 62.22 O ATOM 937 CB ILE A 58 -3.264 -8.669 -4.029 1.00 22.11 C ATOM 938 CG1 ILE A 58 -2.237 -8.417 -5.151 1.00 52.10 C ATOM 939 CG2 ILE A 58 -3.154 -7.598 -2.943 1.00 72.21 C ATOM 940 CD1 ILE A 58 -2.383 -7.074 -5.839 1.00 33.31 C ATOM 0 H ILE A 58 -3.738 -10.822 -5.274 1.00 64.13 H new ATOM 0 HA ILE A 58 -2.051 -10.146 -3.032 1.00 63.20 H new ATOM 0 HB ILE A 58 -4.265 -8.612 -4.456 1.00 22.11 H new ATOM 0 HG12 ILE A 58 -1.233 -8.491 -4.732 1.00 52.10 H new ATOM 0 HG13 ILE A 58 -2.330 -9.206 -5.897 1.00 52.10 H new ATOM 0 HG21 ILE A 58 -3.297 -6.613 -3.388 1.00 72.21 H new ATOM 0 HG22 ILE A 58 -3.919 -7.768 -2.185 1.00 72.21 H new ATOM 0 HG23 ILE A 58 -2.168 -7.648 -2.481 1.00 72.21 H new ATOM 0 HD11 ILE A 58 -1.623 -6.978 -6.614 1.00 33.31 H new ATOM 0 HD12 ILE A 58 -3.373 -7.002 -6.290 1.00 33.31 H new ATOM 0 HD13 ILE A 58 -2.259 -6.275 -5.108 1.00 33.31 H new ATOM 952 N THR A 59 -3.567 -10.456 -1.067 1.00 42.43 N ATOM 953 CA THR A 59 -4.409 -10.801 0.088 1.00 63.42 C ATOM 954 C THR A 59 -4.126 -9.902 1.300 1.00 71.11 C ATOM 955 O THR A 59 -3.138 -9.170 1.330 1.00 24.31 O ATOM 956 CB THR A 59 -4.212 -12.284 0.496 1.00 4.20 C ATOM 957 OG1 THR A 59 -4.898 -12.565 1.728 1.00 61.14 O ATOM 958 CG2 THR A 59 -2.732 -12.624 0.636 1.00 31.03 C ATOM 0 H THR A 59 -2.579 -10.333 -0.844 1.00 42.43 H new ATOM 0 HA THR A 59 -5.441 -10.642 -0.224 1.00 63.42 H new ATOM 0 HB THR A 59 -4.634 -12.904 -0.294 1.00 4.20 H new ATOM 0 HG1 THR A 59 -4.765 -13.505 1.970 1.00 61.14 H new ATOM 0 HG21 THR A 59 -2.625 -13.670 0.923 1.00 31.03 H new ATOM 0 HG22 THR A 59 -2.228 -12.455 -0.316 1.00 31.03 H new ATOM 0 HG23 THR A 59 -2.284 -11.990 1.401 1.00 31.03 H new ATOM 966 N ARG A 60 -5.007 -9.964 2.298 1.00 23.43 N ATOM 967 CA ARG A 60 -4.881 -9.146 3.508 1.00 20.11 C ATOM 968 C ARG A 60 -3.578 -9.464 4.265 1.00 13.44 C ATOM 969 O ARG A 60 -3.287 -10.625 4.559 1.00 60.41 O ATOM 970 CB ARG A 60 -6.087 -9.380 4.428 1.00 71.21 C ATOM 971 CG ARG A 60 -6.193 -8.377 5.573 1.00 12.44 C ATOM 972 CD ARG A 60 -7.344 -8.711 6.519 1.00 23.15 C ATOM 973 NE ARG A 60 -7.638 -7.605 7.427 1.00 32.34 N ATOM 974 CZ ARG A 60 -7.560 -7.667 8.728 1.00 13.54 C ATOM 975 NH1 ARG A 60 -7.174 -8.746 9.326 1.00 41.24 N ATOM 976 NH2 ARG A 60 -7.870 -6.635 9.439 1.00 51.35 N ATOM 0 H ARG A 60 -5.822 -10.577 2.293 1.00 23.43 H new ATOM 0 HA ARG A 60 -4.852 -8.099 3.205 1.00 20.11 H new ATOM 0 HB2 ARG A 60 -6.999 -9.336 3.833 1.00 71.21 H new ATOM 0 HB3 ARG A 60 -6.025 -10.386 4.843 1.00 71.21 H new ATOM 0 HG2 ARG A 60 -5.257 -8.363 6.131 1.00 12.44 H new ATOM 0 HG3 ARG A 60 -6.336 -7.376 5.166 1.00 12.44 H new ATOM 0 HD2 ARG A 60 -8.234 -8.951 5.938 1.00 23.15 H new ATOM 0 HD3 ARG A 60 -7.093 -9.600 7.098 1.00 23.15 H new ATOM 0 HE ARG A 60 -7.926 -6.718 7.013 1.00 32.34 H new ATOM 0 HH11 ARG A 60 -6.923 -9.570 8.780 1.00 41.24 H new ATOM 0 HH12 ARG A 60 -7.120 -8.773 10.344 1.00 41.24 H new ATOM 0 HH21 ARG A 60 -8.175 -5.775 8.983 1.00 51.35 H new ATOM 0 HH22 ARG A 60 -7.810 -6.680 10.456 1.00 51.35 H new ATOM 990 N GLY A 61 -2.800 -8.432 4.574 1.00 52.52 N ATOM 991 CA GLY A 61 -1.523 -8.624 5.254 1.00 13.22 C ATOM 992 C GLY A 61 -0.344 -8.713 4.291 1.00 52.12 C ATOM 993 O GLY A 61 0.816 -8.626 4.706 1.00 50.01 O ATOM 0 H GLY A 61 -3.029 -7.460 4.366 1.00 52.52 H new ATOM 0 HA2 GLY A 61 -1.358 -7.798 5.946 1.00 13.22 H new ATOM 0 HA3 GLY A 61 -1.568 -9.536 5.850 1.00 13.22 H new ATOM 997 N ALA A 62 -0.635 -8.887 3.002 1.00 52.30 N ATOM 998 CA ALA A 62 0.409 -8.957 1.975 1.00 34.20 C ATOM 999 C ALA A 62 1.044 -7.582 1.732 1.00 74.34 C ATOM 1000 O ALA A 62 0.346 -6.579 1.576 1.00 60.05 O ATOM 1001 CB ALA A 62 -0.161 -9.519 0.677 1.00 30.13 C ATOM 0 H ALA A 62 -1.585 -8.982 2.642 1.00 52.30 H new ATOM 0 HA ALA A 62 1.190 -9.626 2.335 1.00 34.20 H new ATOM 0 HB1 ALA A 62 0.626 -9.565 -0.076 1.00 30.13 H new ATOM 0 HB2 ALA A 62 -0.552 -10.521 0.855 1.00 30.13 H new ATOM 0 HB3 ALA A 62 -0.965 -8.873 0.323 1.00 30.13 H new ATOM 1007 N VAL A 63 2.369 -7.537 1.710 1.00 64.15 N ATOM 1008 CA VAL A 63 3.098 -6.285 1.499 1.00 74.13 C ATOM 1009 C VAL A 63 3.515 -6.122 0.028 1.00 23.42 C ATOM 1010 O VAL A 63 4.244 -6.951 -0.517 1.00 23.13 O ATOM 1011 CB VAL A 63 4.349 -6.219 2.406 1.00 41.44 C ATOM 1012 CG1 VAL A 63 5.125 -4.921 2.181 1.00 24.12 C ATOM 1013 CG2 VAL A 63 3.951 -6.370 3.875 1.00 22.03 C ATOM 0 H VAL A 63 2.967 -8.354 1.836 1.00 64.15 H new ATOM 0 HA VAL A 63 2.425 -5.468 1.760 1.00 74.13 H new ATOM 0 HB VAL A 63 5.006 -7.047 2.140 1.00 41.44 H new ATOM 0 HG11 VAL A 63 5.999 -4.902 2.832 1.00 24.12 H new ATOM 0 HG12 VAL A 63 5.446 -4.865 1.141 1.00 24.12 H new ATOM 0 HG13 VAL A 63 4.484 -4.070 2.410 1.00 24.12 H new ATOM 0 HG21 VAL A 63 4.842 -6.321 4.500 1.00 22.03 H new ATOM 0 HG22 VAL A 63 3.269 -5.566 4.152 1.00 22.03 H new ATOM 0 HG23 VAL A 63 3.457 -7.331 4.021 1.00 22.03 H new ATOM 1023 N VAL A 64 3.045 -5.050 -0.604 1.00 11.40 N ATOM 1024 CA VAL A 64 3.387 -4.757 -2.000 1.00 21.54 C ATOM 1025 C VAL A 64 4.434 -3.633 -2.096 1.00 73.32 C ATOM 1026 O VAL A 64 4.350 -2.623 -1.391 1.00 52.12 O ATOM 1027 CB VAL A 64 2.129 -4.369 -2.826 1.00 41.13 C ATOM 1028 CG1 VAL A 64 1.126 -5.522 -2.859 1.00 32.14 C ATOM 1029 CG2 VAL A 64 1.474 -3.100 -2.279 1.00 64.33 C ATOM 0 H VAL A 64 2.424 -4.365 -0.173 1.00 11.40 H new ATOM 0 HA VAL A 64 3.811 -5.670 -2.419 1.00 21.54 H new ATOM 0 HB VAL A 64 2.453 -4.164 -3.847 1.00 41.13 H new ATOM 0 HG11 VAL A 64 0.253 -5.228 -3.442 1.00 32.14 H new ATOM 0 HG12 VAL A 64 1.591 -6.396 -3.316 1.00 32.14 H new ATOM 0 HG13 VAL A 64 0.818 -5.765 -1.842 1.00 32.14 H new ATOM 0 HG21 VAL A 64 0.597 -2.856 -2.879 1.00 64.33 H new ATOM 0 HG22 VAL A 64 1.172 -3.263 -1.244 1.00 64.33 H new ATOM 0 HG23 VAL A 64 2.185 -2.275 -2.323 1.00 64.33 H new ATOM 1039 N GLU A 65 5.430 -3.819 -2.961 1.00 14.00 N ATOM 1040 CA GLU A 65 6.470 -2.807 -3.173 1.00 32.13 C ATOM 1041 C GLU A 65 5.997 -1.756 -4.192 1.00 25.34 C ATOM 1042 O GLU A 65 5.697 -2.079 -5.343 1.00 14.40 O ATOM 1043 CB GLU A 65 7.774 -3.470 -3.649 1.00 0.34 C ATOM 1044 CG GLU A 65 8.937 -2.496 -3.856 1.00 44.11 C ATOM 1045 CD GLU A 65 9.360 -1.780 -2.575 1.00 0.33 C ATOM 1046 OE1 GLU A 65 10.207 -2.319 -1.830 1.00 13.31 O ATOM 1047 OE2 GLU A 65 8.851 -0.672 -2.308 1.00 25.44 O ATOM 0 H GLU A 65 5.541 -4.660 -3.527 1.00 14.00 H new ATOM 0 HA GLU A 65 6.664 -2.305 -2.225 1.00 32.13 H new ATOM 0 HB2 GLU A 65 8.072 -4.224 -2.920 1.00 0.34 H new ATOM 0 HB3 GLU A 65 7.581 -3.992 -4.586 1.00 0.34 H new ATOM 0 HG2 GLU A 65 9.791 -3.041 -4.258 1.00 44.11 H new ATOM 0 HG3 GLU A 65 8.652 -1.754 -4.602 1.00 44.11 H new ATOM 1054 N THR A 66 5.930 -0.501 -3.758 1.00 32.31 N ATOM 1055 CA THR A 66 5.396 0.590 -4.588 1.00 51.01 C ATOM 1056 C THR A 66 6.393 1.745 -4.704 1.00 13.44 C ATOM 1057 O THR A 66 7.442 1.740 -4.063 1.00 33.41 O ATOM 1058 CB THR A 66 4.084 1.162 -4.000 1.00 63.43 C ATOM 1059 OG1 THR A 66 4.359 1.859 -2.774 1.00 2.21 O ATOM 1060 CG2 THR A 66 3.062 0.058 -3.737 1.00 55.15 C ATOM 0 H THR A 66 6.239 -0.207 -2.832 1.00 32.31 H new ATOM 0 HA THR A 66 5.208 0.157 -5.570 1.00 51.01 H new ATOM 0 HB THR A 66 3.664 1.851 -4.732 1.00 63.43 H new ATOM 0 HG1 THR A 66 4.976 1.329 -2.228 1.00 2.21 H new ATOM 0 HG21 THR A 66 2.153 0.495 -3.324 1.00 55.15 H new ATOM 0 HG22 THR A 66 2.828 -0.451 -4.672 1.00 55.15 H new ATOM 0 HG23 THR A 66 3.475 -0.658 -3.027 1.00 55.15 H new ATOM 1068 N ASN A 67 6.044 2.748 -5.507 1.00 25.25 N ATOM 1069 CA ASN A 67 6.887 3.939 -5.675 1.00 42.44 C ATOM 1070 C ASN A 67 7.075 4.699 -4.344 1.00 32.32 C ATOM 1071 O ASN A 67 8.089 5.367 -4.134 1.00 44.51 O ATOM 1072 CB ASN A 67 6.284 4.873 -6.735 1.00 71.25 C ATOM 1073 CG ASN A 67 4.910 5.393 -6.345 1.00 40.45 C ATOM 1074 OD1 ASN A 67 4.157 4.727 -5.641 1.00 43.12 O ATOM 1075 ND2 ASN A 67 4.567 6.574 -6.809 1.00 14.23 N ATOM 0 H ASN A 67 5.183 2.763 -6.054 1.00 25.25 H new ATOM 0 HA ASN A 67 7.869 3.603 -6.008 1.00 42.44 H new ATOM 0 HB2 ASN A 67 6.956 5.717 -6.894 1.00 71.25 H new ATOM 0 HB3 ASN A 67 6.211 4.340 -7.683 1.00 71.25 H new ATOM 0 HD21 ASN A 67 3.651 6.963 -6.586 1.00 14.23 H new ATOM 0 HD22 ASN A 67 5.217 7.101 -7.392 1.00 14.23 H new ATOM 1082 N LEU A 68 6.086 4.599 -3.452 1.00 3.24 N ATOM 1083 CA LEU A 68 6.166 5.225 -2.126 1.00 71.20 C ATOM 1084 C LEU A 68 6.865 4.305 -1.111 1.00 64.43 C ATOM 1085 O LEU A 68 7.390 4.769 -0.097 1.00 40.14 O ATOM 1086 CB LEU A 68 4.763 5.586 -1.617 1.00 34.44 C ATOM 1087 CG LEU A 68 3.986 6.600 -2.477 1.00 64.34 C ATOM 1088 CD1 LEU A 68 2.626 6.908 -1.851 1.00 53.32 C ATOM 1089 CD2 LEU A 68 4.793 7.882 -2.666 1.00 31.00 C ATOM 0 H LEU A 68 5.219 4.090 -3.623 1.00 3.24 H new ATOM 0 HA LEU A 68 6.758 6.135 -2.228 1.00 71.20 H new ATOM 0 HB2 LEU A 68 4.175 4.671 -1.545 1.00 34.44 H new ATOM 0 HB3 LEU A 68 4.854 5.987 -0.607 1.00 34.44 H new ATOM 0 HG LEU A 68 3.819 6.155 -3.458 1.00 64.34 H new ATOM 0 HD11 LEU A 68 2.093 7.626 -2.474 1.00 53.32 H new ATOM 0 HD12 LEU A 68 2.043 5.990 -1.776 1.00 53.32 H new ATOM 0 HD13 LEU A 68 2.770 7.328 -0.856 1.00 53.32 H new ATOM 0 HD21 LEU A 68 4.224 8.583 -3.277 1.00 31.00 H new ATOM 0 HD22 LEU A 68 4.997 8.330 -1.694 1.00 31.00 H new ATOM 0 HD23 LEU A 68 5.735 7.649 -3.163 1.00 31.00 H new ATOM 1101 N GLY A 69 6.863 2.999 -1.381 1.00 51.44 N ATOM 1102 CA GLY A 69 7.508 2.045 -0.481 1.00 24.12 C ATOM 1103 C GLY A 69 6.692 0.774 -0.254 1.00 74.12 C ATOM 1104 O GLY A 69 5.892 0.376 -1.097 1.00 75.32 O ATOM 0 H GLY A 69 6.428 2.583 -2.204 1.00 51.44 H new ATOM 0 HA2 GLY A 69 8.482 1.774 -0.889 1.00 24.12 H new ATOM 0 HA3 GLY A 69 7.688 2.528 0.479 1.00 24.12 H new ATOM 1108 N ASN A 70 6.891 0.141 0.901 1.00 65.11 N ATOM 1109 CA ASN A 70 6.229 -1.131 1.216 1.00 72.43 C ATOM 1110 C ASN A 70 4.820 -0.897 1.770 1.00 43.15 C ATOM 1111 O ASN A 70 4.651 -0.524 2.928 1.00 4.42 O ATOM 1112 CB ASN A 70 7.060 -1.921 2.238 1.00 4.33 C ATOM 1113 CG ASN A 70 8.455 -2.251 1.740 1.00 51.05 C ATOM 1114 OD1 ASN A 70 9.406 -2.294 2.513 1.00 10.00 O ATOM 1115 ND2 ASN A 70 8.590 -2.501 0.454 1.00 24.44 N ATOM 0 H ASN A 70 7.506 0.486 1.638 1.00 65.11 H new ATOM 0 HA ASN A 70 6.147 -1.705 0.293 1.00 72.43 H new ATOM 0 HB2 ASN A 70 7.136 -1.344 3.160 1.00 4.33 H new ATOM 0 HB3 ASN A 70 6.539 -2.847 2.484 1.00 4.33 H new ATOM 0 HD21 ASN A 70 9.506 -2.739 0.074 1.00 24.44 H new ATOM 0 HD22 ASN A 70 7.778 -2.457 -0.162 1.00 24.44 H new ATOM 1122 N VAL A 71 3.810 -1.108 0.941 1.00 61.02 N ATOM 1123 CA VAL A 71 2.426 -0.893 1.358 1.00 23.22 C ATOM 1124 C VAL A 71 1.760 -2.209 1.782 1.00 2.32 C ATOM 1125 O VAL A 71 1.647 -3.145 0.991 1.00 51.23 O ATOM 1126 CB VAL A 71 1.596 -0.240 0.230 1.00 1.43 C ATOM 1127 CG1 VAL A 71 0.171 0.048 0.702 1.00 42.42 C ATOM 1128 CG2 VAL A 71 2.281 1.034 -0.261 1.00 4.40 C ATOM 0 H VAL A 71 3.918 -1.427 -0.022 1.00 61.02 H new ATOM 0 HA VAL A 71 2.454 -0.219 2.214 1.00 23.22 H new ATOM 0 HB VAL A 71 1.534 -0.938 -0.605 1.00 1.43 H new ATOM 0 HG11 VAL A 71 -0.395 0.508 -0.108 1.00 42.42 H new ATOM 0 HG12 VAL A 71 -0.310 -0.885 0.997 1.00 42.42 H new ATOM 0 HG13 VAL A 71 0.200 0.727 1.554 1.00 42.42 H new ATOM 0 HG21 VAL A 71 1.686 1.484 -1.056 1.00 4.40 H new ATOM 0 HG22 VAL A 71 2.375 1.738 0.566 1.00 4.40 H new ATOM 0 HG23 VAL A 71 3.272 0.790 -0.644 1.00 4.40 H new ATOM 1138 N ARG A 72 1.319 -2.274 3.035 1.00 10.31 N ATOM 1139 CA ARG A 72 0.661 -3.474 3.560 1.00 51.34 C ATOM 1140 C ARG A 72 -0.847 -3.451 3.271 1.00 5.21 C ATOM 1141 O ARG A 72 -1.567 -2.572 3.749 1.00 64.24 O ATOM 1142 CB ARG A 72 0.913 -3.596 5.067 1.00 45.23 C ATOM 1143 CG ARG A 72 0.329 -4.861 5.689 1.00 0.54 C ATOM 1144 CD ARG A 72 0.788 -5.038 7.131 1.00 4.41 C ATOM 1145 NE ARG A 72 2.238 -5.211 7.224 1.00 1.44 N ATOM 1146 CZ ARG A 72 2.873 -5.510 8.323 1.00 41.03 C ATOM 1147 NH1 ARG A 72 2.236 -5.635 9.445 1.00 62.32 N ATOM 1148 NH2 ARG A 72 4.155 -5.675 8.298 1.00 51.40 N ATOM 0 H ARG A 72 1.404 -1.512 3.708 1.00 10.31 H new ATOM 0 HA ARG A 72 1.086 -4.343 3.057 1.00 51.34 H new ATOM 0 HB2 ARG A 72 1.988 -3.576 5.249 1.00 45.23 H new ATOM 0 HB3 ARG A 72 0.488 -2.726 5.568 1.00 45.23 H new ATOM 0 HG2 ARG A 72 -0.760 -4.815 5.656 1.00 0.54 H new ATOM 0 HG3 ARG A 72 0.629 -5.729 5.101 1.00 0.54 H new ATOM 0 HD2 ARG A 72 0.488 -4.169 7.717 1.00 4.41 H new ATOM 0 HD3 ARG A 72 0.290 -5.904 7.567 1.00 4.41 H new ATOM 0 HE ARG A 72 2.788 -5.090 6.374 1.00 1.44 H new ATOM 0 HH11 ARG A 72 1.226 -5.499 9.476 1.00 62.32 H new ATOM 0 HH12 ARG A 72 2.745 -5.869 10.297 1.00 62.32 H new ATOM 0 HH21 ARG A 72 4.666 -5.571 7.421 1.00 51.40 H new ATOM 0 HH22 ARG A 72 4.656 -5.909 9.155 1.00 51.40 H new ATOM 1162 N VAL A 73 -1.311 -4.427 2.493 1.00 71.12 N ATOM 1163 CA VAL A 73 -2.717 -4.512 2.079 1.00 70.32 C ATOM 1164 C VAL A 73 -3.657 -4.770 3.270 1.00 10.34 C ATOM 1165 O VAL A 73 -3.529 -5.774 3.973 1.00 51.42 O ATOM 1166 CB VAL A 73 -2.914 -5.630 1.022 1.00 30.51 C ATOM 1167 CG1 VAL A 73 -4.389 -5.785 0.643 1.00 21.34 C ATOM 1168 CG2 VAL A 73 -2.060 -5.352 -0.216 1.00 1.53 C ATOM 0 H VAL A 73 -0.728 -5.181 2.131 1.00 71.12 H new ATOM 0 HA VAL A 73 -2.973 -3.546 1.644 1.00 70.32 H new ATOM 0 HB VAL A 73 -2.587 -6.572 1.463 1.00 30.51 H new ATOM 0 HG11 VAL A 73 -4.493 -6.576 -0.099 1.00 21.34 H new ATOM 0 HG12 VAL A 73 -4.968 -6.042 1.530 1.00 21.34 H new ATOM 0 HG13 VAL A 73 -4.758 -4.847 0.228 1.00 21.34 H new ATOM 0 HG21 VAL A 73 -2.210 -6.146 -0.947 1.00 1.53 H new ATOM 0 HG22 VAL A 73 -2.352 -4.397 -0.652 1.00 1.53 H new ATOM 0 HG23 VAL A 73 -1.008 -5.315 0.068 1.00 1.53 H new ATOM 1178 N THR A 74 -4.602 -3.858 3.482 1.00 42.12 N ATOM 1179 CA THR A 74 -5.570 -3.969 4.584 1.00 32.10 C ATOM 1180 C THR A 74 -6.971 -4.336 4.077 1.00 60.51 C ATOM 1181 O THR A 74 -7.673 -5.151 4.684 1.00 22.21 O ATOM 1182 CB THR A 74 -5.670 -2.643 5.373 1.00 71.40 C ATOM 1183 OG1 THR A 74 -6.097 -1.582 4.502 1.00 33.21 O ATOM 1184 CG2 THR A 74 -4.328 -2.276 6.001 1.00 3.40 C ATOM 0 H THR A 74 -4.723 -3.026 2.904 1.00 42.12 H new ATOM 0 HA THR A 74 -5.204 -4.763 5.235 1.00 32.10 H new ATOM 0 HB THR A 74 -6.401 -2.780 6.170 1.00 71.40 H new ATOM 0 HG1 THR A 74 -6.159 -0.746 5.010 1.00 33.21 H new ATOM 0 HG21 THR A 74 -4.427 -1.339 6.550 1.00 3.40 H new ATOM 0 HG22 THR A 74 -4.018 -3.066 6.685 1.00 3.40 H new ATOM 0 HG23 THR A 74 -3.579 -2.160 5.217 1.00 3.40 H new ATOM 1192 N SER A 75 -7.380 -3.718 2.970 1.00 14.12 N ATOM 1193 CA SER A 75 -8.708 -3.961 2.379 1.00 12.23 C ATOM 1194 C SER A 75 -8.672 -5.056 1.303 1.00 61.30 C ATOM 1195 O SER A 75 -7.615 -5.394 0.770 1.00 71.42 O ATOM 1196 CB SER A 75 -9.274 -2.670 1.771 1.00 34.33 C ATOM 1197 OG SER A 75 -9.553 -1.703 2.772 1.00 64.41 O ATOM 0 H SER A 75 -6.813 -3.042 2.458 1.00 14.12 H new ATOM 0 HA SER A 75 -9.354 -4.301 3.188 1.00 12.23 H new ATOM 0 HB2 SER A 75 -8.561 -2.260 1.056 1.00 34.33 H new ATOM 0 HB3 SER A 75 -10.186 -2.896 1.218 1.00 34.33 H new ATOM 0 HG SER A 75 -10.055 -0.959 2.378 1.00 64.41 H new ATOM 1203 N ARG A 76 -9.848 -5.592 0.980 1.00 53.44 N ATOM 1204 CA ARG A 76 -9.976 -6.646 -0.029 1.00 43.33 C ATOM 1205 C ARG A 76 -9.865 -6.070 -1.455 1.00 1.12 C ATOM 1206 O ARG A 76 -10.564 -5.117 -1.795 1.00 12.31 O ATOM 1207 CB ARG A 76 -11.321 -7.367 0.148 1.00 61.35 C ATOM 1208 CG ARG A 76 -11.479 -8.038 1.511 1.00 52.30 C ATOM 1209 CD ARG A 76 -12.861 -8.665 1.679 1.00 71.13 C ATOM 1210 NE ARG A 76 -13.140 -9.672 0.658 1.00 1.34 N ATOM 1211 CZ ARG A 76 -14.339 -10.093 0.352 1.00 22.14 C ATOM 1212 NH1 ARG A 76 -15.380 -9.637 0.975 1.00 44.12 N ATOM 1213 NH2 ARG A 76 -14.496 -10.979 -0.573 1.00 72.31 N ATOM 0 H ARG A 76 -10.732 -5.312 1.405 1.00 53.44 H new ATOM 0 HA ARG A 76 -9.161 -7.356 0.108 1.00 43.33 H new ATOM 0 HB2 ARG A 76 -12.130 -6.649 0.009 1.00 61.35 H new ATOM 0 HB3 ARG A 76 -11.426 -8.120 -0.633 1.00 61.35 H new ATOM 0 HG2 ARG A 76 -10.715 -8.806 1.628 1.00 52.30 H new ATOM 0 HG3 ARG A 76 -11.315 -7.303 2.299 1.00 52.30 H new ATOM 0 HD2 ARG A 76 -12.933 -9.122 2.666 1.00 71.13 H new ATOM 0 HD3 ARG A 76 -13.620 -7.884 1.633 1.00 71.13 H new ATOM 0 HE ARG A 76 -12.350 -10.072 0.152 1.00 1.34 H new ATOM 0 HH11 ARG A 76 -15.269 -8.942 1.713 1.00 44.12 H new ATOM 0 HH12 ARG A 76 -16.311 -9.973 0.727 1.00 44.12 H new ATOM 0 HH21 ARG A 76 -13.684 -11.351 -1.066 1.00 72.31 H new ATOM 0 HH22 ARG A 76 -15.432 -11.307 -0.811 1.00 72.31 H new ATOM 1227 N PRO A 77 -8.988 -6.642 -2.307 1.00 11.14 N ATOM 1228 CA PRO A 77 -8.763 -6.144 -3.681 1.00 4.43 C ATOM 1229 C PRO A 77 -10.061 -5.920 -4.475 1.00 3.05 C ATOM 1230 O PRO A 77 -10.209 -4.923 -5.185 1.00 5.02 O ATOM 1231 CB PRO A 77 -7.919 -7.256 -4.320 1.00 71.32 C ATOM 1232 CG PRO A 77 -7.192 -7.875 -3.172 1.00 25.42 C ATOM 1233 CD PRO A 77 -8.136 -7.810 -1.999 1.00 14.11 C ATOM 0 HA PRO A 77 -8.285 -5.164 -3.678 1.00 4.43 H new ATOM 0 HB2 PRO A 77 -8.545 -7.985 -4.834 1.00 71.32 H new ATOM 0 HB3 PRO A 77 -7.226 -6.854 -5.059 1.00 71.32 H new ATOM 0 HG2 PRO A 77 -6.917 -8.906 -3.395 1.00 25.42 H new ATOM 0 HG3 PRO A 77 -6.268 -7.337 -2.960 1.00 25.42 H new ATOM 0 HD2 PRO A 77 -8.724 -8.723 -1.906 1.00 14.11 H new ATOM 0 HD3 PRO A 77 -7.600 -7.679 -1.059 1.00 14.11 H new ATOM 1241 N GLY A 78 -11.003 -6.845 -4.340 1.00 54.35 N ATOM 1242 CA GLY A 78 -12.277 -6.721 -5.033 1.00 10.34 C ATOM 1243 C GLY A 78 -13.365 -6.064 -4.186 1.00 74.20 C ATOM 1244 O GLY A 78 -14.541 -6.421 -4.289 1.00 72.21 O ATOM 0 H GLY A 78 -10.910 -7.681 -3.763 1.00 54.35 H new ATOM 0 HA2 GLY A 78 -12.133 -6.138 -5.942 1.00 10.34 H new ATOM 0 HA3 GLY A 78 -12.614 -7.711 -5.340 1.00 10.34 H new ATOM 1248 N GLN A 79 -12.976 -5.111 -3.341 1.00 52.52 N ATOM 1249 CA GLN A 79 -13.935 -4.353 -2.527 1.00 45.24 C ATOM 1250 C GLN A 79 -14.638 -3.274 -3.373 1.00 0.00 C ATOM 1251 O GLN A 79 -15.754 -3.480 -3.854 1.00 54.13 O ATOM 1252 CB GLN A 79 -13.219 -3.723 -1.320 1.00 1.21 C ATOM 1253 CG GLN A 79 -14.123 -2.890 -0.416 1.00 40.25 C ATOM 1254 CD GLN A 79 -13.374 -2.262 0.750 1.00 63.00 C ATOM 1255 OE1 GLN A 79 -12.404 -2.817 1.259 1.00 22.22 O ATOM 1256 NE2 GLN A 79 -13.809 -1.093 1.172 1.00 14.14 N ATOM 0 H GLN A 79 -12.002 -4.842 -3.199 1.00 52.52 H new ATOM 0 HA GLN A 79 -14.699 -5.038 -2.159 1.00 45.24 H new ATOM 0 HB2 GLN A 79 -12.765 -4.517 -0.727 1.00 1.21 H new ATOM 0 HB3 GLN A 79 -12.408 -3.092 -1.683 1.00 1.21 H new ATOM 0 HG2 GLN A 79 -14.593 -2.103 -1.006 1.00 40.25 H new ATOM 0 HG3 GLN A 79 -14.924 -3.521 -0.030 1.00 40.25 H new ATOM 0 HE21 GLN A 79 -14.618 -0.659 0.727 1.00 14.14 H new ATOM 0 HE22 GLN A 79 -13.337 -0.621 1.944 1.00 14.14 H new ATOM 1265 N ASP A 80 -13.969 -2.136 -3.570 1.00 24.13 N ATOM 1266 CA ASP A 80 -14.486 -1.065 -4.434 1.00 74.03 C ATOM 1267 C ASP A 80 -13.801 -1.096 -5.810 1.00 73.32 C ATOM 1268 O ASP A 80 -13.781 -0.095 -6.532 1.00 20.45 O ATOM 1269 CB ASP A 80 -14.264 0.301 -3.770 1.00 51.45 C ATOM 1270 CG ASP A 80 -15.029 0.441 -2.466 1.00 43.14 C ATOM 1271 OD1 ASP A 80 -16.256 0.231 -2.471 1.00 12.14 O ATOM 1272 OD2 ASP A 80 -14.413 0.773 -1.433 1.00 40.32 O ATOM 0 H ASP A 80 -13.066 -1.929 -3.143 1.00 24.13 H new ATOM 0 HA ASP A 80 -15.555 -1.225 -4.576 1.00 74.03 H new ATOM 0 HB2 ASP A 80 -13.200 0.441 -3.581 1.00 51.45 H new ATOM 0 HB3 ASP A 80 -14.573 1.090 -4.456 1.00 51.45 H new ATOM 1277 N GLY A 81 -13.256 -2.256 -6.172 1.00 33.22 N ATOM 1278 CA GLY A 81 -12.487 -2.377 -7.407 1.00 53.15 C ATOM 1279 C GLY A 81 -11.068 -1.830 -7.266 1.00 5.54 C ATOM 1280 O GLY A 81 -10.328 -1.724 -8.245 1.00 32.20 O ATOM 0 H GLY A 81 -13.332 -3.118 -5.632 1.00 33.22 H new ATOM 0 HA2 GLY A 81 -12.442 -3.425 -7.702 1.00 53.15 H new ATOM 0 HA3 GLY A 81 -13.002 -1.843 -8.206 1.00 53.15 H new ATOM 1284 N VAL A 82 -10.697 -1.491 -6.034 1.00 1.34 N ATOM 1285 CA VAL A 82 -9.383 -0.927 -5.728 1.00 22.23 C ATOM 1286 C VAL A 82 -8.895 -1.407 -4.350 1.00 10.31 C ATOM 1287 O VAL A 82 -9.699 -1.707 -3.465 1.00 3.41 O ATOM 1288 CB VAL A 82 -9.422 0.625 -5.763 1.00 22.50 C ATOM 1289 CG1 VAL A 82 -10.392 1.172 -4.714 1.00 64.11 C ATOM 1290 CG2 VAL A 82 -8.020 1.216 -5.582 1.00 15.33 C ATOM 0 H VAL A 82 -11.299 -1.599 -5.218 1.00 1.34 H new ATOM 0 HA VAL A 82 -8.686 -1.274 -6.491 1.00 22.23 H new ATOM 0 HB VAL A 82 -9.786 0.929 -6.744 1.00 22.50 H new ATOM 0 HG11 VAL A 82 -10.401 2.261 -4.759 1.00 64.11 H new ATOM 0 HG12 VAL A 82 -11.394 0.793 -4.912 1.00 64.11 H new ATOM 0 HG13 VAL A 82 -10.073 0.853 -3.722 1.00 64.11 H new ATOM 0 HG21 VAL A 82 -8.077 2.304 -5.611 1.00 15.33 H new ATOM 0 HG22 VAL A 82 -7.613 0.899 -4.622 1.00 15.33 H new ATOM 0 HG23 VAL A 82 -7.371 0.866 -6.385 1.00 15.33 H new ATOM 1300 N ILE A 83 -7.579 -1.482 -4.185 1.00 1.02 N ATOM 1301 CA ILE A 83 -6.968 -1.978 -2.945 1.00 31.00 C ATOM 1302 C ILE A 83 -6.584 -0.821 -1.999 1.00 11.11 C ATOM 1303 O ILE A 83 -6.161 0.241 -2.451 1.00 61.44 O ATOM 1304 CB ILE A 83 -5.696 -2.804 -3.271 1.00 62.40 C ATOM 1305 CG1 ILE A 83 -6.024 -3.945 -4.248 1.00 52.31 C ATOM 1306 CG2 ILE A 83 -5.072 -3.364 -1.992 1.00 33.35 C ATOM 1307 CD1 ILE A 83 -4.804 -4.565 -4.897 1.00 50.23 C ATOM 0 H ILE A 83 -6.905 -1.204 -4.898 1.00 1.02 H new ATOM 0 HA ILE A 83 -7.706 -2.606 -2.446 1.00 31.00 H new ATOM 0 HB ILE A 83 -4.974 -2.139 -3.746 1.00 62.40 H new ATOM 0 HG12 ILE A 83 -6.574 -4.721 -3.715 1.00 52.31 H new ATOM 0 HG13 ILE A 83 -6.685 -3.565 -5.027 1.00 52.31 H new ATOM 0 HG21 ILE A 83 -4.181 -3.940 -2.244 1.00 33.35 H new ATOM 0 HG22 ILE A 83 -4.798 -2.542 -1.331 1.00 33.35 H new ATOM 0 HG23 ILE A 83 -5.791 -4.010 -1.489 1.00 33.35 H new ATOM 0 HD11 ILE A 83 -5.116 -5.362 -5.572 1.00 50.23 H new ATOM 0 HD12 ILE A 83 -4.264 -3.803 -5.460 1.00 50.23 H new ATOM 0 HD13 ILE A 83 -4.152 -4.977 -4.127 1.00 50.23 H new ATOM 1319 N ASN A 84 -6.733 -1.038 -0.687 1.00 14.23 N ATOM 1320 CA ASN A 84 -6.281 -0.068 0.329 1.00 62.52 C ATOM 1321 C ASN A 84 -5.212 -0.695 1.245 1.00 12.43 C ATOM 1322 O ASN A 84 -5.230 -1.904 1.493 1.00 25.42 O ATOM 1323 CB ASN A 84 -7.463 0.428 1.186 1.00 25.41 C ATOM 1324 CG ASN A 84 -8.487 1.231 0.397 1.00 21.02 C ATOM 1325 OD1 ASN A 84 -8.686 1.027 -0.793 1.00 14.22 O ATOM 1326 ND2 ASN A 84 -9.149 2.159 1.061 1.00 52.34 N ATOM 0 H ASN A 84 -7.164 -1.877 -0.299 1.00 14.23 H new ATOM 0 HA ASN A 84 -5.847 0.781 -0.199 1.00 62.52 H new ATOM 0 HB2 ASN A 84 -7.958 -0.430 1.641 1.00 25.41 H new ATOM 0 HB3 ASN A 84 -7.079 1.043 2.000 1.00 25.41 H new ATOM 0 HD21 ASN A 84 -9.847 2.728 0.583 1.00 52.34 H new ATOM 0 HD22 ASN A 84 -8.963 2.307 2.053 1.00 52.34 H new ATOM 1333 N GLY A 85 -4.285 0.129 1.745 1.00 53.42 N ATOM 1334 CA GLY A 85 -3.227 -0.369 2.627 1.00 51.01 C ATOM 1335 C GLY A 85 -2.532 0.731 3.434 1.00 45.20 C ATOM 1336 O GLY A 85 -2.994 1.871 3.463 1.00 20.10 O ATOM 0 H GLY A 85 -4.246 1.131 1.557 1.00 53.42 H new ATOM 0 HA2 GLY A 85 -3.653 -1.099 3.316 1.00 51.01 H new ATOM 0 HA3 GLY A 85 -2.483 -0.893 2.027 1.00 51.01 H new ATOM 1340 N VAL A 86 -1.427 0.385 4.108 1.00 11.25 N ATOM 1341 CA VAL A 86 -0.647 1.365 4.901 1.00 72.23 C ATOM 1342 C VAL A 86 0.807 1.454 4.399 1.00 22.40 C ATOM 1343 O VAL A 86 1.373 0.461 3.943 1.00 52.23 O ATOM 1344 CB VAL A 86 -0.620 1.005 6.415 1.00 14.42 C ATOM 1345 CG1 VAL A 86 -0.303 2.236 7.269 1.00 63.04 C ATOM 1346 CG2 VAL A 86 -1.932 0.355 6.849 1.00 60.35 C ATOM 0 H VAL A 86 -1.048 -0.562 4.125 1.00 11.25 H new ATOM 0 HA VAL A 86 -1.147 2.325 4.772 1.00 72.23 H new ATOM 0 HB VAL A 86 0.178 0.279 6.571 1.00 14.42 H new ATOM 0 HG11 VAL A 86 -0.291 1.955 8.322 1.00 63.04 H new ATOM 0 HG12 VAL A 86 0.673 2.632 6.988 1.00 63.04 H new ATOM 0 HG13 VAL A 86 -1.065 2.998 7.106 1.00 63.04 H new ATOM 0 HG21 VAL A 86 -1.885 0.114 7.911 1.00 60.35 H new ATOM 0 HG22 VAL A 86 -2.757 1.045 6.670 1.00 60.35 H new ATOM 0 HG23 VAL A 86 -2.092 -0.559 6.277 1.00 60.35 H new ATOM 1356 N LEU A 87 1.412 2.637 4.500 1.00 1.15 N ATOM 1357 CA LEU A 87 2.781 2.855 4.004 1.00 43.14 C ATOM 1358 C LEU A 87 3.848 2.561 5.076 1.00 55.21 C ATOM 1359 O LEU A 87 3.949 3.265 6.076 1.00 12.21 O ATOM 1360 CB LEU A 87 2.938 4.302 3.511 1.00 44.30 C ATOM 1361 CG LEU A 87 4.310 4.652 2.911 1.00 41.44 C ATOM 1362 CD1 LEU A 87 4.634 3.743 1.727 1.00 73.42 C ATOM 1363 CD2 LEU A 87 4.353 6.123 2.496 1.00 65.13 C ATOM 0 H LEU A 87 0.981 3.461 4.919 1.00 1.15 H new ATOM 0 HA LEU A 87 2.937 2.158 3.181 1.00 43.14 H new ATOM 0 HB2 LEU A 87 2.172 4.497 2.760 1.00 44.30 H new ATOM 0 HB3 LEU A 87 2.744 4.975 4.346 1.00 44.30 H new ATOM 0 HG LEU A 87 5.070 4.490 3.676 1.00 41.44 H new ATOM 0 HD11 LEU A 87 5.609 4.010 1.320 1.00 73.42 H new ATOM 0 HD12 LEU A 87 4.651 2.705 2.059 1.00 73.42 H new ATOM 0 HD13 LEU A 87 3.873 3.865 0.956 1.00 73.42 H new ATOM 0 HD21 LEU A 87 5.331 6.353 2.074 1.00 65.13 H new ATOM 0 HD22 LEU A 87 3.581 6.313 1.750 1.00 65.13 H new ATOM 0 HD23 LEU A 87 4.177 6.752 3.368 1.00 65.13 H new ATOM 1375 N ILE A 88 4.650 1.523 4.853 1.00 20.41 N ATOM 1376 CA ILE A 88 5.780 1.201 5.738 1.00 44.33 C ATOM 1377 C ILE A 88 7.029 0.832 4.918 1.00 13.32 C ATOM 1378 O ILE A 88 7.046 0.960 3.691 1.00 20.34 O ATOM 1379 CB ILE A 88 5.443 0.033 6.711 1.00 51.21 C ATOM 1380 CG1 ILE A 88 5.111 -1.246 5.924 1.00 2.30 C ATOM 1381 CG2 ILE A 88 4.293 0.415 7.648 1.00 44.42 C ATOM 1382 CD1 ILE A 88 4.692 -2.418 6.791 1.00 13.25 C ATOM 0 H ILE A 88 4.542 0.884 4.065 1.00 20.41 H new ATOM 0 HA ILE A 88 5.981 2.095 6.329 1.00 44.33 H new ATOM 0 HB ILE A 88 6.321 -0.164 7.326 1.00 51.21 H new ATOM 0 HG12 ILE A 88 4.311 -1.027 5.217 1.00 2.30 H new ATOM 0 HG13 ILE A 88 5.983 -1.535 5.338 1.00 2.30 H new ATOM 0 HG21 ILE A 88 4.077 -0.418 8.317 1.00 44.42 H new ATOM 0 HG22 ILE A 88 4.577 1.288 8.235 1.00 44.42 H new ATOM 0 HG23 ILE A 88 3.405 0.647 7.059 1.00 44.42 H new ATOM 0 HD11 ILE A 88 4.476 -3.279 6.159 1.00 13.25 H new ATOM 0 HD12 ILE A 88 5.499 -2.667 7.480 1.00 13.25 H new ATOM 0 HD13 ILE A 88 3.800 -2.151 7.358 1.00 13.25 H new ATOM 1394 N ARG A 89 8.082 0.391 5.600 1.00 21.13 N ATOM 1395 CA ARG A 89 9.311 -0.067 4.936 1.00 61.31 C ATOM 1396 C ARG A 89 9.952 -1.236 5.693 1.00 72.10 C ATOM 1397 O ARG A 89 10.693 -1.040 6.657 1.00 73.33 O ATOM 1398 CB ARG A 89 10.338 1.072 4.782 1.00 14.42 C ATOM 1399 CG ARG A 89 9.996 2.097 3.701 1.00 75.41 C ATOM 1400 CD ARG A 89 9.841 1.453 2.323 1.00 4.24 C ATOM 1401 NE ARG A 89 11.041 0.728 1.887 1.00 32.50 N ATOM 1402 CZ ARG A 89 11.098 -0.001 0.797 1.00 71.43 C ATOM 1403 NH1 ARG A 89 10.064 -0.123 0.032 1.00 10.52 N ATOM 1404 NH2 ARG A 89 12.190 -0.604 0.472 1.00 1.33 N ATOM 0 H ARG A 89 8.114 0.339 6.618 1.00 21.13 H new ATOM 0 HA ARG A 89 9.019 -0.406 3.942 1.00 61.31 H new ATOM 0 HB2 ARG A 89 10.433 1.589 5.737 1.00 14.42 H new ATOM 0 HB3 ARG A 89 11.312 0.637 4.557 1.00 14.42 H new ATOM 0 HG2 ARG A 89 9.071 2.608 3.967 1.00 75.41 H new ATOM 0 HG3 ARG A 89 10.779 2.854 3.660 1.00 75.41 H new ATOM 0 HD2 ARG A 89 8.996 0.765 2.343 1.00 4.24 H new ATOM 0 HD3 ARG A 89 9.605 2.226 1.592 1.00 4.24 H new ATOM 0 HE ARG A 89 11.879 0.795 2.465 1.00 32.50 H new ATOM 0 HH11 ARG A 89 9.193 0.350 0.273 1.00 10.52 H new ATOM 0 HH12 ARG A 89 10.119 -0.692 -0.813 1.00 10.52 H new ATOM 0 HH21 ARG A 89 13.016 -0.516 1.063 1.00 1.33 H new ATOM 0 HH22 ARG A 89 12.228 -1.169 -0.376 1.00 1.33 H new ATOM 1418 N GLU A 90 9.644 -2.450 5.261 1.00 12.52 N ATOM 1419 CA GLU A 90 10.280 -3.653 5.805 1.00 23.41 C ATOM 1420 C GLU A 90 11.482 -4.062 4.940 1.00 4.23 C ATOM 1421 O GLU A 90 12.226 -4.989 5.271 1.00 43.24 O ATOM 1422 CB GLU A 90 9.252 -4.793 5.903 1.00 73.21 C ATOM 1423 CG GLU A 90 8.092 -4.480 6.849 1.00 54.03 C ATOM 1424 CD GLU A 90 7.063 -5.597 6.932 1.00 33.31 C ATOM 1425 OE1 GLU A 90 7.294 -6.576 7.670 1.00 74.03 O ATOM 1426 OE2 GLU A 90 6.012 -5.498 6.269 1.00 50.55 O ATOM 0 H GLU A 90 8.955 -2.634 4.532 1.00 12.52 H new ATOM 0 HA GLU A 90 10.649 -3.438 6.808 1.00 23.41 H new ATOM 0 HB2 GLU A 90 8.855 -5.002 4.909 1.00 73.21 H new ATOM 0 HB3 GLU A 90 9.755 -5.699 6.243 1.00 73.21 H new ATOM 0 HG2 GLU A 90 8.488 -4.286 7.846 1.00 54.03 H new ATOM 0 HG3 GLU A 90 7.599 -3.566 6.518 1.00 54.03 H new ATOM 1433 N LEU A 91 11.665 -3.348 3.826 1.00 44.30 N ATOM 1434 CA LEU A 91 12.810 -3.552 2.928 1.00 63.32 C ATOM 1435 C LEU A 91 13.703 -2.294 2.879 1.00 72.41 C ATOM 1436 O LEU A 91 13.349 -1.250 3.435 1.00 34.21 O ATOM 1437 CB LEU A 91 12.311 -3.894 1.517 1.00 41.03 C ATOM 1438 CG LEU A 91 11.322 -5.070 1.429 1.00 12.25 C ATOM 1439 CD1 LEU A 91 10.877 -5.293 -0.014 1.00 15.20 C ATOM 1440 CD2 LEU A 91 11.932 -6.344 2.010 1.00 53.45 C ATOM 0 H LEU A 91 11.027 -2.614 3.520 1.00 44.30 H new ATOM 0 HA LEU A 91 13.405 -4.380 3.313 1.00 63.32 H new ATOM 0 HB2 LEU A 91 11.834 -3.009 1.095 1.00 41.03 H new ATOM 0 HB3 LEU A 91 13.174 -4.120 0.891 1.00 41.03 H new ATOM 0 HG LEU A 91 10.444 -4.817 2.023 1.00 12.25 H new ATOM 0 HD11 LEU A 91 10.178 -6.129 -0.054 1.00 15.20 H new ATOM 0 HD12 LEU A 91 10.388 -4.393 -0.387 1.00 15.20 H new ATOM 0 HD13 LEU A 91 11.746 -5.517 -0.632 1.00 15.20 H new ATOM 0 HD21 LEU A 91 11.212 -7.159 1.935 1.00 53.45 H new ATOM 0 HD22 LEU A 91 12.833 -6.603 1.453 1.00 53.45 H new ATOM 0 HD23 LEU A 91 12.187 -6.180 3.057 1.00 53.45 H new ATOM 1452 N GLU A 92 14.840 -2.400 2.183 1.00 30.04 N ATOM 1453 CA GLU A 92 15.831 -1.307 2.072 1.00 31.34 C ATOM 1454 C GLU A 92 15.202 0.090 1.881 1.00 1.34 C ATOM 1455 O GLU A 92 14.517 0.352 0.895 1.00 71.31 O ATOM 1456 CB GLU A 92 16.798 -1.596 0.908 1.00 33.33 C ATOM 1457 CG GLU A 92 18.058 -2.354 1.311 1.00 72.14 C ATOM 1458 CD GLU A 92 18.952 -1.544 2.240 1.00 33.44 C ATOM 1459 OE1 GLU A 92 19.263 -0.378 1.907 1.00 13.11 O ATOM 1460 OE2 GLU A 92 19.337 -2.054 3.313 1.00 13.31 O ATOM 0 H GLU A 92 15.106 -3.245 1.677 1.00 30.04 H new ATOM 0 HA GLU A 92 16.363 -1.282 3.023 1.00 31.34 H new ATOM 0 HB2 GLU A 92 16.270 -2.171 0.147 1.00 33.33 H new ATOM 0 HB3 GLU A 92 17.088 -0.651 0.449 1.00 33.33 H new ATOM 0 HG2 GLU A 92 17.777 -3.285 1.803 1.00 72.14 H new ATOM 0 HG3 GLU A 92 18.618 -2.623 0.416 1.00 72.14 H new ATOM 1467 N HIS A 93 15.451 0.988 2.836 1.00 31.44 N ATOM 1468 CA HIS A 93 15.016 2.388 2.733 1.00 61.01 C ATOM 1469 C HIS A 93 16.233 3.337 2.756 1.00 12.35 C ATOM 1470 O HIS A 93 16.095 4.557 2.879 1.00 20.53 O ATOM 1471 CB HIS A 93 14.042 2.713 3.879 1.00 63.35 C ATOM 1472 CG HIS A 93 13.454 4.094 3.823 1.00 25.01 C ATOM 1473 ND1 HIS A 93 13.574 5.004 4.849 1.00 64.15 N ATOM 1474 CD2 HIS A 93 12.722 4.712 2.864 1.00 2.31 C ATOM 1475 CE1 HIS A 93 12.945 6.115 4.532 1.00 34.54 C ATOM 1476 NE2 HIS A 93 12.421 5.968 3.333 1.00 23.14 N ATOM 0 H HIS A 93 15.955 0.771 3.696 1.00 31.44 H new ATOM 0 HA HIS A 93 14.500 2.533 1.784 1.00 61.01 H new ATOM 0 HB2 HIS A 93 13.231 1.985 3.867 1.00 63.35 H new ATOM 0 HB3 HIS A 93 14.564 2.592 4.828 1.00 63.35 H new ATOM 0 HD2 HIS A 93 12.430 4.296 1.911 1.00 2.31 H new ATOM 0 HE1 HIS A 93 12.871 6.998 5.150 1.00 34.54 H new ATOM 0 HE2 HIS A 93 11.879 6.673 2.833 1.00 23.14 H new ATOM 1485 N HIS A 94 17.427 2.767 2.592 1.00 54.24 N ATOM 1486 CA HIS A 94 18.679 3.536 2.631 1.00 11.21 C ATOM 1487 C HIS A 94 18.993 4.207 1.279 1.00 33.05 C ATOM 1488 O HIS A 94 20.067 4.775 1.101 1.00 31.02 O ATOM 1489 CB HIS A 94 19.848 2.623 3.031 1.00 71.32 C ATOM 1490 CG HIS A 94 19.705 2.008 4.389 1.00 1.23 C ATOM 1491 ND1 HIS A 94 19.635 0.649 4.604 1.00 60.35 N ATOM 1492 CD2 HIS A 94 19.645 2.578 5.615 1.00 41.33 C ATOM 1493 CE1 HIS A 94 19.531 0.413 5.894 1.00 51.33 C ATOM 1494 NE2 HIS A 94 19.538 1.565 6.531 1.00 44.30 N ATOM 0 H HIS A 94 17.557 1.769 2.430 1.00 54.24 H new ATOM 0 HA HIS A 94 18.549 4.323 3.373 1.00 11.21 H new ATOM 0 HB2 HIS A 94 19.944 1.828 2.292 1.00 71.32 H new ATOM 0 HB3 HIS A 94 20.773 3.200 3.000 1.00 71.32 H new ATOM 0 HD2 HIS A 94 19.676 3.636 5.831 1.00 41.33 H new ATOM 0 HE1 HIS A 94 19.453 -0.561 6.353 1.00 51.33 H new ATOM 0 HE2 HIS A 94 19.474 1.684 7.542 1.00 44.30 H new ATOM 1503 N HIS A 95 18.045 4.162 0.342 1.00 71.33 N ATOM 1504 CA HIS A 95 18.246 4.735 -0.998 1.00 54.21 C ATOM 1505 C HIS A 95 18.503 6.256 -0.948 1.00 5.25 C ATOM 1506 O HIS A 95 19.019 6.836 -1.904 1.00 1.05 O ATOM 1507 CB HIS A 95 17.037 4.424 -1.892 1.00 62.30 C ATOM 1508 CG HIS A 95 17.243 4.782 -3.335 1.00 0.25 C ATOM 1509 ND1 HIS A 95 16.344 5.528 -4.064 1.00 62.42 N ATOM 1510 CD2 HIS A 95 18.252 4.481 -4.192 1.00 25.32 C ATOM 1511 CE1 HIS A 95 16.787 5.673 -5.296 1.00 12.31 C ATOM 1512 NE2 HIS A 95 17.942 5.054 -5.403 1.00 53.32 N ATOM 0 H HIS A 95 17.129 3.736 0.482 1.00 71.33 H new ATOM 0 HA HIS A 95 19.137 4.272 -1.423 1.00 54.21 H new ATOM 0 HB2 HIS A 95 16.808 3.361 -1.820 1.00 62.30 H new ATOM 0 HB3 HIS A 95 16.169 4.964 -1.514 1.00 62.30 H new ATOM 0 HD2 HIS A 95 19.134 3.900 -3.965 1.00 25.32 H new ATOM 0 HE1 HIS A 95 16.285 6.211 -6.087 1.00 12.31 H new ATOM 0 HE2 HIS A 95 18.514 5.007 -6.246 1.00 53.32 H new ATOM 1521 N HIS A 96 18.139 6.893 0.165 1.00 20.32 N ATOM 1522 CA HIS A 96 18.400 8.327 0.365 1.00 42.04 C ATOM 1523 C HIS A 96 19.879 8.588 0.712 1.00 10.12 C ATOM 1524 O HIS A 96 20.358 9.721 0.633 1.00 52.21 O ATOM 1525 CB HIS A 96 17.497 8.876 1.480 1.00 23.04 C ATOM 1526 CG HIS A 96 17.734 10.328 1.789 1.00 4.41 C ATOM 1527 ND1 HIS A 96 18.369 10.764 2.934 1.00 1.40 N ATOM 1528 CD2 HIS A 96 17.428 11.445 1.089 1.00 15.02 C ATOM 1529 CE1 HIS A 96 18.445 12.078 2.922 1.00 12.31 C ATOM 1530 NE2 HIS A 96 17.882 12.518 1.815 1.00 25.24 N ATOM 0 H HIS A 96 17.662 6.442 0.945 1.00 20.32 H new ATOM 0 HA HIS A 96 18.177 8.841 -0.570 1.00 42.04 H new ATOM 0 HB2 HIS A 96 16.455 8.740 1.191 1.00 23.04 H new ATOM 0 HB3 HIS A 96 17.656 8.290 2.385 1.00 23.04 H new ATOM 0 HD2 HIS A 96 16.921 11.485 0.136 1.00 15.02 H new ATOM 0 HE1 HIS A 96 18.893 12.692 3.690 1.00 12.31 H new ATOM 0 HE2 HIS A 96 17.797 13.497 1.542 1.00 25.24 H new ATOM 1539 N HIS A 97 20.590 7.532 1.093 1.00 31.24 N ATOM 1540 CA HIS A 97 21.991 7.640 1.510 1.00 23.31 C ATOM 1541 C HIS A 97 22.929 6.891 0.549 1.00 20.34 C ATOM 1542 O HIS A 97 22.560 5.868 -0.031 1.00 15.43 O ATOM 1543 CB HIS A 97 22.160 7.086 2.934 1.00 42.00 C ATOM 1544 CG HIS A 97 23.570 7.142 3.438 1.00 32.24 C ATOM 1545 ND1 HIS A 97 24.114 8.256 4.032 1.00 71.15 N ATOM 1546 CD2 HIS A 97 24.558 6.213 3.417 1.00 11.33 C ATOM 1547 CE1 HIS A 97 25.371 8.018 4.347 1.00 1.25 C ATOM 1548 NE2 HIS A 97 25.665 6.787 3.987 1.00 53.44 N ATOM 0 H HIS A 97 20.219 6.582 1.123 1.00 31.24 H new ATOM 0 HA HIS A 97 22.261 8.696 1.491 1.00 23.31 H new ATOM 0 HB2 HIS A 97 21.518 7.649 3.612 1.00 42.00 H new ATOM 0 HB3 HIS A 97 21.817 6.052 2.955 1.00 42.00 H new ATOM 0 HD2 HIS A 97 24.486 5.209 3.025 1.00 11.33 H new ATOM 0 HE1 HIS A 97 26.046 8.715 4.821 1.00 1.25 H new ATOM 0 HE2 HIS A 97 26.570 6.333 4.112 1.00 53.44 H new ATOM 1557 N HIS A 98 24.141 7.419 0.387 1.00 3.15 N ATOM 1558 CA HIS A 98 25.192 6.740 -0.383 1.00 15.30 C ATOM 1559 C HIS A 98 26.598 7.115 0.141 1.00 62.21 C ATOM 1560 O HIS A 98 27.243 8.012 -0.447 1.00 37.36 O ATOM 1561 CB HIS A 98 25.061 7.095 -1.874 1.00 71.25 C ATOM 1562 CG HIS A 98 25.952 6.281 -2.764 1.00 64.33 C ATOM 1563 ND1 HIS A 98 27.288 6.564 -2.953 1.00 12.02 N ATOM 1564 CD2 HIS A 98 25.696 5.182 -3.512 1.00 44.03 C ATOM 1565 CE1 HIS A 98 27.813 5.678 -3.773 1.00 61.41 C ATOM 1566 NE2 HIS A 98 26.872 4.830 -4.127 1.00 34.21 N ATOM 1567 OXT HIS A 98 27.043 6.523 1.149 1.00 37.36 O ATOM 0 H HIS A 98 24.424 8.317 0.778 1.00 3.15 H new ATOM 0 HA HIS A 98 25.067 5.664 -0.261 1.00 15.30 H new ATOM 0 HB2 HIS A 98 24.025 6.954 -2.183 1.00 71.25 H new ATOM 0 HB3 HIS A 98 25.293 8.151 -2.009 1.00 71.25 H new ATOM 0 HD1 HIS A 98 27.792 7.340 -2.524 1.00 12.02 H new ATOM 0 HD2 HIS A 98 24.746 4.677 -3.607 1.00 44.03 H new ATOM 0 HE1 HIS A 98 28.842 5.652 -4.100 1.00 61.41 H new TER 1576 HIS A 98