USER MOD reduce.3.24.130724 H: found=0, std=0, add=685, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 685 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 53 LYS NZ :NH3+ -161:sc= 0.0516 (180deg=-0.0497) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.0466 K(o=0.098,f=-3.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00329 (180deg=-0.238) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.502 USER MOD Single : A 6 THR OG1 : rot -95:sc= 0.642 USER MOD Single : A 8 THR OG1 : rot 40:sc= 0.311 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0.164 X(o=0.16,f=-0.17) USER MOD Single : A 11 ASN : amide:sc= -0.109 K(o=-0.11,f=-7!) USER MOD Single : A 12 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.447) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0364 F(o=-0.7,f=-0.036) USER MOD Single : A 35 SER OG : rot -150:sc= 1.2 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 134:sc= -4.82! (180deg=-7.26!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -81:sc= 0.266 USER MOD Single : A 60 GLN : amide:sc= 0.178 X(o=0.18,f=-0.088) USER MOD Single : A 61 LYS NZ :NH3+ 179:sc= -0.32 (180deg=-0.449) USER MOD Single : A 62 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.12) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= 0.852 (180deg=0.63) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0252 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.695 -5.910 0.848 1.00 44.13 N ATOM 2 CA MET A 1 -20.081 -4.600 1.419 1.00 43.13 C ATOM 3 C MET A 1 -18.920 -3.603 1.237 1.00 40.23 C ATOM 4 O MET A 1 -18.959 -2.753 0.340 1.00 23.23 O ATOM 5 CB MET A 1 -20.470 -4.758 2.917 1.00 31.33 C ATOM 6 CG MET A 1 -21.639 -5.712 3.189 1.00 71.10 C ATOM 7 SD MET A 1 -21.896 -5.972 4.958 1.00 74.34 S ATOM 8 CE MET A 1 -23.217 -7.182 4.957 1.00 21.25 C ATOM 0 H1 MET A 1 -20.542 -6.503 0.736 1.00 44.13 H new ATOM 0 H2 MET A 1 -19.248 -5.766 -0.080 1.00 44.13 H new ATOM 0 H3 MET A 1 -19.024 -6.383 1.486 1.00 44.13 H new ATOM 0 HA MET A 1 -20.954 -4.212 0.894 1.00 43.13 H new ATOM 0 HB2 MET A 1 -19.598 -5.111 3.467 1.00 31.33 H new ATOM 0 HB3 MET A 1 -20.723 -3.776 3.316 1.00 31.33 H new ATOM 0 HG2 MET A 1 -22.549 -5.308 2.745 1.00 71.10 H new ATOM 0 HG3 MET A 1 -21.447 -6.670 2.705 1.00 71.10 H new ATOM 0 HE1 MET A 1 -23.479 -7.436 5.984 1.00 21.25 H new ATOM 0 HE2 MET A 1 -24.090 -6.768 4.452 1.00 21.25 H new ATOM 0 HE3 MET A 1 -22.888 -8.080 4.434 1.00 21.25 H new ATOM 20 N GLY A 2 -17.869 -3.742 2.073 1.00 62.31 N ATOM 21 CA GLY A 2 -16.666 -2.911 1.981 1.00 14.02 C ATOM 22 C GLY A 2 -15.685 -3.483 0.973 1.00 53.35 C ATOM 23 O GLY A 2 -14.718 -4.162 1.354 1.00 72.54 O ATOM 0 H GLY A 2 -17.837 -4.431 2.824 1.00 62.31 H new ATOM 0 HA2 GLY A 2 -16.941 -1.897 1.691 1.00 14.02 H new ATOM 0 HA3 GLY A 2 -16.190 -2.844 2.959 1.00 14.02 H new ATOM 27 N LEU A 3 -15.961 -3.226 -0.322 1.00 23.13 N ATOM 28 CA LEU A 3 -15.249 -3.852 -1.455 1.00 14.02 C ATOM 29 C LEU A 3 -13.749 -3.543 -1.425 1.00 71.44 C ATOM 30 O LEU A 3 -13.341 -2.415 -1.112 1.00 22.32 O ATOM 31 CB LEU A 3 -15.863 -3.389 -2.807 1.00 75.42 C ATOM 32 CG LEU A 3 -17.368 -3.735 -3.028 1.00 72.25 C ATOM 33 CD1 LEU A 3 -17.865 -3.204 -4.392 1.00 41.42 C ATOM 34 CD2 LEU A 3 -17.618 -5.253 -2.880 1.00 15.21 C ATOM 0 H LEU A 3 -16.689 -2.574 -0.613 1.00 23.13 H new ATOM 0 HA LEU A 3 -15.369 -4.931 -1.358 1.00 14.02 H new ATOM 0 HB2 LEU A 3 -15.743 -2.309 -2.887 1.00 75.42 H new ATOM 0 HB3 LEU A 3 -15.285 -3.834 -3.617 1.00 75.42 H new ATOM 0 HG LEU A 3 -17.947 -3.234 -2.252 1.00 72.25 H new ATOM 0 HD11 LEU A 3 -18.917 -3.459 -4.520 1.00 41.42 H new ATOM 0 HD12 LEU A 3 -17.747 -2.121 -4.426 1.00 41.42 H new ATOM 0 HD13 LEU A 3 -17.282 -3.657 -5.193 1.00 41.42 H new ATOM 0 HD21 LEU A 3 -18.675 -5.465 -3.039 1.00 15.21 H new ATOM 0 HD22 LEU A 3 -17.025 -5.793 -3.618 1.00 15.21 H new ATOM 0 HD23 LEU A 3 -17.331 -5.573 -1.878 1.00 15.21 H new ATOM 46 N THR A 4 -12.946 -4.576 -1.740 1.00 32.22 N ATOM 47 CA THR A 4 -11.488 -4.474 -1.845 1.00 14.00 C ATOM 48 C THR A 4 -11.135 -3.863 -3.213 1.00 1.11 C ATOM 49 O THR A 4 -10.678 -4.548 -4.140 1.00 45.01 O ATOM 50 CB THR A 4 -10.828 -5.881 -1.637 1.00 25.30 C ATOM 51 OG1 THR A 4 -11.396 -6.483 -0.467 1.00 71.02 O ATOM 52 CG2 THR A 4 -9.293 -5.823 -1.470 1.00 64.24 C ATOM 0 H THR A 4 -13.300 -5.513 -1.930 1.00 32.22 H new ATOM 0 HA THR A 4 -11.095 -3.823 -1.064 1.00 14.00 H new ATOM 0 HB THR A 4 -11.028 -6.465 -2.535 1.00 25.30 H new ATOM 0 HG1 THR A 4 -10.994 -7.365 -0.325 1.00 71.02 H new ATOM 0 HG21 THR A 4 -8.904 -6.832 -1.330 1.00 64.24 H new ATOM 0 HG22 THR A 4 -8.846 -5.382 -2.361 1.00 64.24 H new ATOM 0 HG23 THR A 4 -9.044 -5.215 -0.601 1.00 64.24 H new ATOM 60 N ARG A 5 -11.455 -2.562 -3.324 1.00 74.31 N ATOM 61 CA ARG A 5 -11.229 -1.752 -4.528 1.00 14.01 C ATOM 62 C ARG A 5 -9.725 -1.663 -4.838 1.00 12.01 C ATOM 63 O ARG A 5 -8.900 -1.799 -3.933 1.00 63.11 O ATOM 64 CB ARG A 5 -11.841 -0.331 -4.331 1.00 13.34 C ATOM 65 CG ARG A 5 -11.244 0.467 -3.147 1.00 75.54 C ATOM 66 CD ARG A 5 -11.810 1.892 -3.006 1.00 71.11 C ATOM 67 NE ARG A 5 -13.218 1.909 -2.577 1.00 64.52 N ATOM 68 CZ ARG A 5 -13.952 3.018 -2.382 1.00 61.13 C ATOM 69 NH1 ARG A 5 -13.436 4.231 -2.584 1.00 23.23 N ATOM 70 NH2 ARG A 5 -15.203 2.914 -1.960 1.00 11.54 N ATOM 0 H ARG A 5 -11.886 -2.037 -2.563 1.00 74.31 H new ATOM 0 HA ARG A 5 -11.721 -2.228 -5.377 1.00 14.01 H new ATOM 0 HB2 ARG A 5 -11.699 0.242 -5.247 1.00 13.34 H new ATOM 0 HB3 ARG A 5 -12.916 -0.430 -4.181 1.00 13.34 H new ATOM 0 HG2 ARG A 5 -11.430 -0.080 -2.223 1.00 75.54 H new ATOM 0 HG3 ARG A 5 -10.163 0.527 -3.270 1.00 75.54 H new ATOM 0 HD2 ARG A 5 -11.209 2.447 -2.285 1.00 71.11 H new ATOM 0 HD3 ARG A 5 -11.720 2.409 -3.961 1.00 71.11 H new ATOM 0 HE ARG A 5 -13.672 1.010 -2.415 1.00 64.52 H new ATOM 0 HH11 ARG A 5 -12.469 4.329 -2.892 1.00 23.23 H new ATOM 0 HH12 ARG A 5 -14.009 5.061 -2.431 1.00 23.23 H new ATOM 0 HH21 ARG A 5 -15.607 1.994 -1.784 1.00 11.54 H new ATOM 0 HH22 ARG A 5 -15.762 3.754 -1.811 1.00 11.54 H new ATOM 84 N THR A 6 -9.384 -1.414 -6.111 1.00 43.24 N ATOM 85 CA THR A 6 -7.993 -1.351 -6.575 1.00 61.34 C ATOM 86 C THR A 6 -7.678 0.107 -6.895 1.00 35.34 C ATOM 87 O THR A 6 -8.147 0.639 -7.906 1.00 41.23 O ATOM 88 CB THR A 6 -7.764 -2.243 -7.840 1.00 13.50 C ATOM 89 OG1 THR A 6 -8.193 -3.581 -7.568 1.00 31.31 O ATOM 90 CG2 THR A 6 -6.285 -2.254 -8.280 1.00 1.35 C ATOM 0 H THR A 6 -10.069 -1.250 -6.849 1.00 43.24 H new ATOM 0 HA THR A 6 -7.333 -1.731 -5.796 1.00 61.34 H new ATOM 0 HB THR A 6 -8.350 -1.818 -8.655 1.00 13.50 H new ATOM 0 HG1 THR A 6 -7.426 -4.119 -7.281 1.00 31.31 H new ATOM 0 HG21 THR A 6 -6.172 -2.885 -9.161 1.00 1.35 H new ATOM 0 HG22 THR A 6 -5.969 -1.238 -8.518 1.00 1.35 H new ATOM 0 HG23 THR A 6 -5.668 -2.646 -7.472 1.00 1.35 H new ATOM 98 N ILE A 7 -6.928 0.772 -6.014 1.00 3.30 N ATOM 99 CA ILE A 7 -6.662 2.204 -6.142 1.00 71.23 C ATOM 100 C ILE A 7 -5.345 2.397 -6.902 1.00 31.10 C ATOM 101 O ILE A 7 -4.269 2.067 -6.390 1.00 31.24 O ATOM 102 CB ILE A 7 -6.605 2.916 -4.739 1.00 0.01 C ATOM 103 CG1 ILE A 7 -7.905 2.610 -3.932 1.00 60.13 C ATOM 104 CG2 ILE A 7 -6.392 4.445 -4.900 1.00 64.21 C ATOM 105 CD1 ILE A 7 -8.006 3.303 -2.590 1.00 60.45 C ATOM 0 H ILE A 7 -6.492 0.338 -5.200 1.00 3.30 H new ATOM 0 HA ILE A 7 -7.480 2.664 -6.696 1.00 71.23 H new ATOM 0 HB ILE A 7 -5.753 2.524 -4.183 1.00 0.01 H new ATOM 0 HG12 ILE A 7 -8.765 2.896 -4.537 1.00 60.13 H new ATOM 0 HG13 ILE A 7 -7.971 1.534 -3.773 1.00 60.13 H new ATOM 0 HG21 ILE A 7 -6.356 4.913 -3.916 1.00 64.21 H new ATOM 0 HG22 ILE A 7 -5.454 4.629 -5.423 1.00 64.21 H new ATOM 0 HG23 ILE A 7 -7.216 4.869 -5.474 1.00 64.21 H new ATOM 0 HD11 ILE A 7 -8.943 3.027 -2.107 1.00 60.45 H new ATOM 0 HD12 ILE A 7 -7.170 2.999 -1.960 1.00 60.45 H new ATOM 0 HD13 ILE A 7 -7.977 4.383 -2.735 1.00 60.45 H new ATOM 117 N THR A 8 -5.451 2.918 -8.130 1.00 45.24 N ATOM 118 CA THR A 8 -4.308 3.161 -9.004 1.00 42.34 C ATOM 119 C THR A 8 -3.976 4.656 -8.946 1.00 35.43 C ATOM 120 O THR A 8 -4.737 5.487 -9.451 1.00 23.14 O ATOM 121 CB THR A 8 -4.626 2.700 -10.472 1.00 51.35 C ATOM 122 OG1 THR A 8 -5.872 3.270 -10.902 1.00 24.25 O ATOM 123 CG2 THR A 8 -4.717 1.164 -10.583 1.00 63.12 C ATOM 0 H THR A 8 -6.344 3.184 -8.545 1.00 45.24 H new ATOM 0 HA THR A 8 -3.446 2.583 -8.671 1.00 42.34 H new ATOM 0 HB THR A 8 -3.809 3.044 -11.107 1.00 51.35 H new ATOM 0 HG1 THR A 8 -5.939 4.192 -10.578 1.00 24.25 H new ATOM 0 HG21 THR A 8 -4.938 0.886 -11.614 1.00 63.12 H new ATOM 0 HG22 THR A 8 -3.767 0.721 -10.283 1.00 63.12 H new ATOM 0 HG23 THR A 8 -5.510 0.798 -9.930 1.00 63.12 H new ATOM 131 N SER A 9 -2.880 4.990 -8.253 1.00 2.33 N ATOM 132 CA SER A 9 -2.409 6.376 -8.095 1.00 51.41 C ATOM 133 C SER A 9 -0.894 6.434 -8.294 1.00 4.31 C ATOM 134 O SER A 9 -0.199 5.428 -8.118 1.00 62.12 O ATOM 135 CB SER A 9 -2.817 6.924 -6.712 1.00 5.45 C ATOM 136 OG SER A 9 -4.222 6.855 -6.535 1.00 42.24 O ATOM 0 H SER A 9 -2.290 4.304 -7.783 1.00 2.33 H new ATOM 0 HA SER A 9 -2.876 7.006 -8.852 1.00 51.41 H new ATOM 0 HB2 SER A 9 -2.319 6.352 -5.929 1.00 5.45 H new ATOM 0 HB3 SER A 9 -2.484 7.957 -6.613 1.00 5.45 H new ATOM 0 HG SER A 9 -4.458 7.206 -5.651 1.00 42.24 H new ATOM 142 N GLN A 10 -0.398 7.624 -8.664 1.00 14.30 N ATOM 143 CA GLN A 10 1.032 7.869 -8.934 1.00 42.33 C ATOM 144 C GLN A 10 1.717 8.558 -7.738 1.00 53.10 C ATOM 145 O GLN A 10 2.924 8.781 -7.759 1.00 14.43 O ATOM 146 CB GLN A 10 1.178 8.705 -10.234 1.00 23.23 C ATOM 147 CG GLN A 10 0.519 8.039 -11.463 1.00 61.52 C ATOM 148 CD GLN A 10 0.770 8.758 -12.787 1.00 61.41 C ATOM 149 OE1 GLN A 10 0.933 9.980 -12.835 1.00 21.01 O ATOM 150 NE2 GLN A 10 0.781 8.004 -13.882 1.00 34.32 N ATOM 0 H GLN A 10 -0.981 8.452 -8.786 1.00 14.30 H new ATOM 0 HA GLN A 10 1.534 6.912 -9.076 1.00 42.33 H new ATOM 0 HB2 GLN A 10 0.732 9.687 -10.079 1.00 23.23 H new ATOM 0 HB3 GLN A 10 2.237 8.864 -10.439 1.00 23.23 H new ATOM 0 HG2 GLN A 10 0.885 7.016 -11.545 1.00 61.52 H new ATOM 0 HG3 GLN A 10 -0.556 7.980 -11.295 1.00 61.52 H new ATOM 0 HE21 GLN A 10 0.643 6.996 -13.809 1.00 34.32 H new ATOM 0 HE22 GLN A 10 0.927 8.434 -14.796 1.00 34.32 H new ATOM 159 N ASN A 11 0.929 8.873 -6.693 1.00 24.24 N ATOM 160 CA ASN A 11 1.440 9.421 -5.420 1.00 34.23 C ATOM 161 C ASN A 11 1.216 8.372 -4.323 1.00 32.42 C ATOM 162 O ASN A 11 0.068 8.044 -4.003 1.00 52.44 O ATOM 163 CB ASN A 11 0.727 10.765 -5.075 1.00 34.13 C ATOM 164 CG ASN A 11 1.309 11.508 -3.850 1.00 12.34 C ATOM 165 OD1 ASN A 11 1.800 10.908 -2.901 1.00 43.43 O ATOM 166 ND2 ASN A 11 1.262 12.832 -3.863 1.00 34.24 N ATOM 0 H ASN A 11 -0.084 8.755 -6.707 1.00 24.24 H new ATOM 0 HA ASN A 11 2.505 9.638 -5.503 1.00 34.23 H new ATOM 0 HB2 ASN A 11 0.782 11.423 -5.942 1.00 34.13 H new ATOM 0 HB3 ASN A 11 -0.329 10.565 -4.894 1.00 34.13 H new ATOM 0 HD21 ASN A 11 1.637 13.363 -3.077 1.00 34.24 H new ATOM 0 HD22 ASN A 11 0.851 13.320 -4.659 1.00 34.24 H new ATOM 173 N LYS A 12 2.319 7.847 -3.758 1.00 72.23 N ATOM 174 CA LYS A 12 2.264 6.806 -2.716 1.00 61.24 C ATOM 175 C LYS A 12 1.786 7.357 -1.370 1.00 64.25 C ATOM 176 O LYS A 12 1.125 6.638 -0.644 1.00 42.44 O ATOM 177 CB LYS A 12 3.625 6.054 -2.570 1.00 55.20 C ATOM 178 CG LYS A 12 4.903 6.927 -2.484 1.00 13.22 C ATOM 179 CD LYS A 12 5.329 7.319 -1.051 1.00 53.01 C ATOM 180 CE LYS A 12 6.624 8.146 -1.062 1.00 63.04 C ATOM 181 NZ LYS A 12 7.118 8.462 0.303 1.00 20.24 N ATOM 0 H LYS A 12 3.266 8.130 -4.009 1.00 72.23 H new ATOM 0 HA LYS A 12 1.522 6.079 -3.046 1.00 61.24 H new ATOM 0 HB2 LYS A 12 3.576 5.435 -1.674 1.00 55.20 H new ATOM 0 HB3 LYS A 12 3.732 5.379 -3.419 1.00 55.20 H new ATOM 0 HG2 LYS A 12 5.725 6.390 -2.957 1.00 13.22 H new ATOM 0 HG3 LYS A 12 4.743 7.837 -3.062 1.00 13.22 H new ATOM 0 HD2 LYS A 12 4.533 7.892 -0.576 1.00 53.01 H new ATOM 0 HD3 LYS A 12 5.474 6.419 -0.453 1.00 53.01 H new ATOM 0 HE2 LYS A 12 7.395 7.598 -1.604 1.00 63.04 H new ATOM 0 HE3 LYS A 12 6.451 9.075 -1.605 1.00 63.04 H new ATOM 0 HZ1 LYS A 12 8.123 8.725 0.256 1.00 20.24 H new ATOM 0 HZ2 LYS A 12 6.571 9.254 0.696 1.00 20.24 H new ATOM 0 HZ3 LYS A 12 7.007 7.628 0.914 1.00 20.24 H new ATOM 195 N GLU A 13 2.087 8.640 -1.072 1.00 45.52 N ATOM 196 CA GLU A 13 1.792 9.261 0.243 1.00 64.23 C ATOM 197 C GLU A 13 0.290 9.182 0.569 1.00 54.10 C ATOM 198 O GLU A 13 -0.101 8.645 1.608 1.00 63.13 O ATOM 199 CB GLU A 13 2.261 10.732 0.248 1.00 53.04 C ATOM 200 CG GLU A 13 3.756 10.920 -0.054 1.00 11.42 C ATOM 201 CD GLU A 13 4.175 12.391 -0.003 1.00 72.00 C ATOM 202 OE1 GLU A 13 4.037 13.093 -1.024 1.00 14.31 O ATOM 203 OE2 GLU A 13 4.601 12.866 1.068 1.00 11.31 O ATOM 0 H GLU A 13 2.539 9.274 -1.731 1.00 45.52 H new ATOM 0 HA GLU A 13 2.334 8.709 1.011 1.00 64.23 H new ATOM 0 HB2 GLU A 13 1.681 11.289 -0.488 1.00 53.04 H new ATOM 0 HB3 GLU A 13 2.042 11.168 1.223 1.00 53.04 H new ATOM 0 HG2 GLU A 13 4.345 10.351 0.666 1.00 11.42 H new ATOM 0 HG3 GLU A 13 3.980 10.514 -1.041 1.00 11.42 H new ATOM 210 N GLU A 14 -0.534 9.665 -0.384 1.00 52.01 N ATOM 211 CA GLU A 14 -2.002 9.643 -0.253 1.00 63.42 C ATOM 212 C GLU A 14 -2.532 8.199 -0.193 1.00 62.41 C ATOM 213 O GLU A 14 -3.530 7.947 0.454 1.00 74.21 O ATOM 214 CB GLU A 14 -2.679 10.437 -1.396 1.00 35.11 C ATOM 215 CG GLU A 14 -2.394 9.905 -2.810 1.00 40.43 C ATOM 216 CD GLU A 14 -3.112 10.714 -3.894 1.00 54.24 C ATOM 217 OE1 GLU A 14 -4.303 10.447 -4.151 1.00 33.52 O ATOM 218 OE2 GLU A 14 -2.505 11.640 -4.471 1.00 22.52 O ATOM 0 H GLU A 14 -0.203 10.077 -1.257 1.00 52.01 H new ATOM 0 HA GLU A 14 -2.257 10.132 0.687 1.00 63.42 H new ATOM 0 HB2 GLU A 14 -3.757 10.434 -1.233 1.00 35.11 H new ATOM 0 HB3 GLU A 14 -2.352 11.475 -1.341 1.00 35.11 H new ATOM 0 HG2 GLU A 14 -1.320 9.929 -2.994 1.00 40.43 H new ATOM 0 HG3 GLU A 14 -2.705 8.862 -2.873 1.00 40.43 H new ATOM 225 N LEU A 15 -1.814 7.255 -0.847 1.00 62.24 N ATOM 226 CA LEU A 15 -2.153 5.817 -0.799 1.00 11.40 C ATOM 227 C LEU A 15 -1.891 5.234 0.600 1.00 50.52 C ATOM 228 O LEU A 15 -2.594 4.322 1.019 1.00 34.52 O ATOM 229 CB LEU A 15 -1.357 5.015 -1.866 1.00 22.25 C ATOM 230 CG LEU A 15 -1.723 5.300 -3.349 1.00 12.45 C ATOM 231 CD1 LEU A 15 -0.826 4.491 -4.317 1.00 42.20 C ATOM 232 CD2 LEU A 15 -3.217 5.022 -3.594 1.00 10.31 C ATOM 0 H LEU A 15 -0.994 7.467 -1.415 1.00 62.24 H new ATOM 0 HA LEU A 15 -3.216 5.726 -1.021 1.00 11.40 H new ATOM 0 HB2 LEU A 15 -0.296 5.221 -1.729 1.00 22.25 H new ATOM 0 HB3 LEU A 15 -1.502 3.952 -1.675 1.00 22.25 H new ATOM 0 HG LEU A 15 -1.538 6.355 -3.551 1.00 12.45 H new ATOM 0 HD11 LEU A 15 -1.108 4.713 -5.346 1.00 42.20 H new ATOM 0 HD12 LEU A 15 0.218 4.764 -4.160 1.00 42.20 H new ATOM 0 HD13 LEU A 15 -0.955 3.425 -4.128 1.00 42.20 H new ATOM 0 HD21 LEU A 15 -3.459 5.226 -4.637 1.00 10.31 H new ATOM 0 HD22 LEU A 15 -3.435 3.978 -3.369 1.00 10.31 H new ATOM 0 HD23 LEU A 15 -3.817 5.665 -2.950 1.00 10.31 H new ATOM 244 N LEU A 16 -0.877 5.785 1.313 1.00 35.44 N ATOM 245 CA LEU A 16 -0.502 5.340 2.679 1.00 60.52 C ATOM 246 C LEU A 16 -1.571 5.816 3.682 1.00 42.22 C ATOM 247 O LEU A 16 -1.914 5.109 4.634 1.00 1.24 O ATOM 248 CB LEU A 16 0.900 5.902 3.074 1.00 73.41 C ATOM 249 CG LEU A 16 2.075 5.597 2.088 1.00 34.53 C ATOM 250 CD1 LEU A 16 3.354 6.356 2.480 1.00 11.45 C ATOM 251 CD2 LEU A 16 2.339 4.082 1.946 1.00 11.20 C ATOM 0 H LEU A 16 -0.299 6.547 0.959 1.00 35.44 H new ATOM 0 HA LEU A 16 -0.448 4.251 2.697 1.00 60.52 H new ATOM 0 HB2 LEU A 16 0.816 6.983 3.182 1.00 73.41 H new ATOM 0 HB3 LEU A 16 1.164 5.504 4.054 1.00 73.41 H new ATOM 0 HG LEU A 16 1.765 5.958 1.108 1.00 34.53 H new ATOM 0 HD11 LEU A 16 4.149 6.119 1.773 1.00 11.45 H new ATOM 0 HD12 LEU A 16 3.160 7.429 2.463 1.00 11.45 H new ATOM 0 HD13 LEU A 16 3.661 6.059 3.483 1.00 11.45 H new ATOM 0 HD21 LEU A 16 3.163 3.920 1.251 1.00 11.20 H new ATOM 0 HD22 LEU A 16 2.597 3.665 2.919 1.00 11.20 H new ATOM 0 HD23 LEU A 16 1.443 3.591 1.567 1.00 11.20 H new ATOM 263 N GLU A 17 -2.084 7.037 3.426 1.00 11.42 N ATOM 264 CA GLU A 17 -3.155 7.675 4.221 1.00 41.42 C ATOM 265 C GLU A 17 -4.533 6.994 4.000 1.00 14.53 C ATOM 266 O GLU A 17 -5.239 6.694 4.970 1.00 23.03 O ATOM 267 CB GLU A 17 -3.200 9.191 3.879 1.00 31.45 C ATOM 268 CG GLU A 17 -1.876 9.926 4.199 1.00 13.01 C ATOM 269 CD GLU A 17 -1.828 11.376 3.697 1.00 35.53 C ATOM 270 OE1 GLU A 17 -1.422 11.605 2.537 1.00 53.23 O ATOM 271 OE2 GLU A 17 -2.190 12.296 4.455 1.00 60.33 O ATOM 0 H GLU A 17 -1.762 7.616 2.651 1.00 11.42 H new ATOM 0 HA GLU A 17 -2.929 7.551 5.280 1.00 41.42 H new ATOM 0 HB2 GLU A 17 -3.429 9.312 2.820 1.00 31.45 H new ATOM 0 HB3 GLU A 17 -4.012 9.659 4.436 1.00 31.45 H new ATOM 0 HG2 GLU A 17 -1.722 9.921 5.278 1.00 13.01 H new ATOM 0 HG3 GLU A 17 -1.049 9.372 3.756 1.00 13.01 H new ATOM 278 N ILE A 18 -4.896 6.726 2.724 1.00 20.04 N ATOM 279 CA ILE A 18 -6.161 6.027 2.372 1.00 73.13 C ATOM 280 C ILE A 18 -6.117 4.572 2.885 1.00 11.12 C ATOM 281 O ILE A 18 -7.136 4.023 3.317 1.00 45.12 O ATOM 282 CB ILE A 18 -6.438 6.054 0.815 1.00 2.04 C ATOM 283 CG1 ILE A 18 -6.613 7.520 0.305 1.00 35.33 C ATOM 284 CG2 ILE A 18 -7.680 5.201 0.437 1.00 24.11 C ATOM 285 CD1 ILE A 18 -6.688 7.659 -1.207 1.00 45.33 C ATOM 0 H ILE A 18 -4.330 6.983 1.916 1.00 20.04 H new ATOM 0 HA ILE A 18 -6.981 6.558 2.856 1.00 73.13 H new ATOM 0 HB ILE A 18 -5.569 5.615 0.326 1.00 2.04 H new ATOM 0 HG12 ILE A 18 -7.521 7.936 0.741 1.00 35.33 H new ATOM 0 HG13 ILE A 18 -5.780 8.120 0.671 1.00 35.33 H new ATOM 0 HG21 ILE A 18 -7.837 5.245 -0.641 1.00 24.11 H new ATOM 0 HG22 ILE A 18 -7.516 4.166 0.738 1.00 24.11 H new ATOM 0 HG23 ILE A 18 -8.559 5.592 0.948 1.00 24.11 H new ATOM 0 HD11 ILE A 18 -6.809 8.710 -1.470 1.00 45.33 H new ATOM 0 HD12 ILE A 18 -5.770 7.277 -1.653 1.00 45.33 H new ATOM 0 HD13 ILE A 18 -7.538 7.090 -1.583 1.00 45.33 H new ATOM 297 N ALA A 19 -4.907 3.976 2.854 1.00 23.13 N ATOM 298 CA ALA A 19 -4.657 2.641 3.414 1.00 42.21 C ATOM 299 C ALA A 19 -5.007 2.618 4.898 1.00 1.22 C ATOM 300 O ALA A 19 -5.915 1.906 5.312 1.00 43.33 O ATOM 301 CB ALA A 19 -3.195 2.243 3.218 1.00 12.23 C ATOM 0 H ALA A 19 -4.081 4.409 2.440 1.00 23.13 H new ATOM 0 HA ALA A 19 -5.288 1.924 2.889 1.00 42.21 H new ATOM 0 HB1 ALA A 19 -3.028 1.251 3.639 1.00 12.23 H new ATOM 0 HB2 ALA A 19 -2.961 2.229 2.153 1.00 12.23 H new ATOM 0 HB3 ALA A 19 -2.551 2.964 3.722 1.00 12.23 H new ATOM 307 N LEU A 20 -4.323 3.508 5.640 1.00 2.45 N ATOM 308 CA LEU A 20 -4.476 3.709 7.092 1.00 63.55 C ATOM 309 C LEU A 20 -5.961 3.887 7.496 1.00 71.04 C ATOM 310 O LEU A 20 -6.396 3.375 8.529 1.00 14.11 O ATOM 311 CB LEU A 20 -3.639 4.960 7.492 1.00 21.53 C ATOM 312 CG LEU A 20 -3.625 5.365 9.000 1.00 12.42 C ATOM 313 CD1 LEU A 20 -3.070 4.230 9.882 1.00 62.11 C ATOM 314 CD2 LEU A 20 -2.841 6.681 9.207 1.00 53.02 C ATOM 0 H LEU A 20 -3.624 4.128 5.231 1.00 2.45 H new ATOM 0 HA LEU A 20 -4.117 2.826 7.620 1.00 63.55 H new ATOM 0 HB2 LEU A 20 -2.609 4.789 7.180 1.00 21.53 H new ATOM 0 HB3 LEU A 20 -4.009 5.810 6.919 1.00 21.53 H new ATOM 0 HG LEU A 20 -4.655 5.539 9.311 1.00 12.42 H new ATOM 0 HD11 LEU A 20 -3.074 4.545 10.926 1.00 62.11 H new ATOM 0 HD12 LEU A 20 -3.693 3.343 9.768 1.00 62.11 H new ATOM 0 HD13 LEU A 20 -2.050 3.998 9.577 1.00 62.11 H new ATOM 0 HD21 LEU A 20 -2.844 6.944 10.265 1.00 53.02 H new ATOM 0 HD22 LEU A 20 -1.813 6.549 8.869 1.00 53.02 H new ATOM 0 HD23 LEU A 20 -3.312 7.479 8.633 1.00 53.02 H new ATOM 326 N LYS A 21 -6.713 4.599 6.632 1.00 63.11 N ATOM 327 CA LYS A 21 -8.163 4.819 6.780 1.00 34.53 C ATOM 328 C LYS A 21 -8.945 3.484 6.729 1.00 25.02 C ATOM 329 O LYS A 21 -9.708 3.176 7.645 1.00 52.33 O ATOM 330 CB LYS A 21 -8.654 5.770 5.653 1.00 73.12 C ATOM 331 CG LYS A 21 -10.145 6.172 5.733 1.00 32.24 C ATOM 332 CD LYS A 21 -10.640 6.898 4.460 1.00 12.34 C ATOM 333 CE LYS A 21 -9.833 8.165 4.119 1.00 12.00 C ATOM 334 NZ LYS A 21 -9.958 9.225 5.155 1.00 34.43 N ATOM 0 H LYS A 21 -6.323 5.043 5.801 1.00 63.11 H new ATOM 0 HA LYS A 21 -8.347 5.272 7.754 1.00 34.53 H new ATOM 0 HB2 LYS A 21 -8.048 6.676 5.675 1.00 73.12 H new ATOM 0 HB3 LYS A 21 -8.475 5.290 4.691 1.00 73.12 H new ATOM 0 HG2 LYS A 21 -10.749 5.279 5.894 1.00 32.24 H new ATOM 0 HG3 LYS A 21 -10.296 6.819 6.597 1.00 32.24 H new ATOM 0 HD2 LYS A 21 -10.592 6.209 3.617 1.00 12.34 H new ATOM 0 HD3 LYS A 21 -11.688 7.169 4.591 1.00 12.34 H new ATOM 0 HE2 LYS A 21 -8.782 7.900 4.002 1.00 12.00 H new ATOM 0 HE3 LYS A 21 -10.171 8.559 3.161 1.00 12.00 H new ATOM 0 HZ1 LYS A 21 -9.395 10.053 4.874 1.00 34.43 H new ATOM 0 HZ2 LYS A 21 -10.956 9.501 5.251 1.00 34.43 H new ATOM 0 HZ3 LYS A 21 -9.610 8.863 6.066 1.00 34.43 H new ATOM 348 N PHE A 22 -8.701 2.680 5.669 1.00 33.43 N ATOM 349 CA PHE A 22 -9.457 1.423 5.417 1.00 31.45 C ATOM 350 C PHE A 22 -9.091 0.347 6.450 1.00 44.44 C ATOM 351 O PHE A 22 -9.963 -0.378 6.927 1.00 34.21 O ATOM 352 CB PHE A 22 -9.221 0.900 3.968 1.00 0.23 C ATOM 353 CG PHE A 22 -10.120 1.550 2.899 1.00 62.43 C ATOM 354 CD1 PHE A 22 -9.970 2.890 2.538 1.00 61.44 C ATOM 355 CD2 PHE A 22 -11.113 0.805 2.246 1.00 61.04 C ATOM 356 CE1 PHE A 22 -10.773 3.461 1.563 1.00 71.14 C ATOM 357 CE2 PHE A 22 -11.915 1.380 1.274 1.00 33.43 C ATOM 358 CZ PHE A 22 -11.745 2.707 0.934 1.00 22.43 C ATOM 0 H PHE A 22 -7.985 2.877 4.970 1.00 33.43 H new ATOM 0 HA PHE A 22 -10.518 1.649 5.521 1.00 31.45 H new ATOM 0 HB2 PHE A 22 -8.178 1.070 3.700 1.00 0.23 H new ATOM 0 HB3 PHE A 22 -9.382 -0.178 3.954 1.00 0.23 H new ATOM 0 HD1 PHE A 22 -9.217 3.491 3.026 1.00 61.44 H new ATOM 0 HD2 PHE A 22 -11.255 -0.234 2.505 1.00 61.04 H new ATOM 0 HE1 PHE A 22 -10.638 4.498 1.294 1.00 71.14 H new ATOM 0 HE2 PHE A 22 -12.674 0.790 0.782 1.00 33.43 H new ATOM 0 HZ PHE A 22 -12.371 3.155 0.177 1.00 22.43 H new ATOM 368 N ILE A 23 -7.803 0.305 6.825 1.00 51.14 N ATOM 369 CA ILE A 23 -7.266 -0.679 7.776 1.00 71.44 C ATOM 370 C ILE A 23 -7.854 -0.415 9.174 1.00 34.10 C ATOM 371 O ILE A 23 -8.283 -1.349 9.857 1.00 52.31 O ATOM 372 CB ILE A 23 -5.684 -0.628 7.810 1.00 52.42 C ATOM 373 CG1 ILE A 23 -5.099 -0.988 6.406 1.00 3.04 C ATOM 374 CG2 ILE A 23 -5.087 -1.549 8.906 1.00 72.34 C ATOM 375 CD1 ILE A 23 -5.424 -2.390 5.914 1.00 33.02 C ATOM 0 H ILE A 23 -7.101 0.957 6.474 1.00 51.14 H new ATOM 0 HA ILE A 23 -7.555 -1.679 7.452 1.00 71.44 H new ATOM 0 HB ILE A 23 -5.398 0.393 8.064 1.00 52.42 H new ATOM 0 HG12 ILE A 23 -5.473 -0.268 5.678 1.00 3.04 H new ATOM 0 HG13 ILE A 23 -4.016 -0.873 6.440 1.00 3.04 H new ATOM 0 HG21 ILE A 23 -3.999 -1.478 8.888 1.00 72.34 H new ATOM 0 HG22 ILE A 23 -5.455 -1.237 9.883 1.00 72.34 H new ATOM 0 HG23 ILE A 23 -5.387 -2.580 8.718 1.00 72.34 H new ATOM 0 HD11 ILE A 23 -4.975 -2.545 4.933 1.00 33.02 H new ATOM 0 HD12 ILE A 23 -5.025 -3.123 6.615 1.00 33.02 H new ATOM 0 HD13 ILE A 23 -6.505 -2.508 5.841 1.00 33.02 H new ATOM 387 N SER A 24 -7.918 0.884 9.552 1.00 40.44 N ATOM 388 CA SER A 24 -8.488 1.333 10.838 1.00 72.03 C ATOM 389 C SER A 24 -9.987 0.978 10.959 1.00 64.14 C ATOM 390 O SER A 24 -10.480 0.704 12.057 1.00 1.34 O ATOM 391 CB SER A 24 -8.280 2.853 11.010 1.00 61.43 C ATOM 392 OG SER A 24 -8.730 3.311 12.280 1.00 73.33 O ATOM 0 H SER A 24 -7.574 1.648 8.971 1.00 40.44 H new ATOM 0 HA SER A 24 -7.963 0.806 11.634 1.00 72.03 H new ATOM 0 HB2 SER A 24 -7.223 3.090 10.893 1.00 61.43 H new ATOM 0 HB3 SER A 24 -8.815 3.384 10.222 1.00 61.43 H new ATOM 0 HG SER A 24 -8.580 4.277 12.351 1.00 73.33 H new ATOM 398 N GLN A 25 -10.699 0.991 9.814 1.00 20.01 N ATOM 399 CA GLN A 25 -12.128 0.612 9.741 1.00 72.44 C ATOM 400 C GLN A 25 -12.303 -0.923 9.754 1.00 12.11 C ATOM 401 O GLN A 25 -13.381 -1.419 10.081 1.00 4.32 O ATOM 402 CB GLN A 25 -12.782 1.218 8.471 1.00 14.03 C ATOM 403 CG GLN A 25 -12.774 2.758 8.423 1.00 63.34 C ATOM 404 CD GLN A 25 -13.327 3.319 7.113 1.00 72.32 C ATOM 405 OE1 GLN A 25 -12.468 3.467 6.111 1.00 10.30 O flip ATOM 406 NE2 GLN A 25 -14.522 3.591 6.993 1.00 41.34 N flip ATOM 0 H GLN A 25 -10.302 1.264 8.915 1.00 20.01 H new ATOM 0 HA GLN A 25 -12.627 1.014 10.623 1.00 72.44 H new ATOM 0 HB2 GLN A 25 -12.262 0.837 7.592 1.00 14.03 H new ATOM 0 HB3 GLN A 25 -13.813 0.870 8.407 1.00 14.03 H new ATOM 0 HG2 GLN A 25 -13.363 3.145 9.255 1.00 63.34 H new ATOM 0 HG3 GLN A 25 -11.754 3.115 8.562 1.00 63.34 H new ATOM 0 HE21 GLN A 25 -15.155 3.466 7.783 1.00 41.34 H new ATOM 0 HE22 GLN A 25 -14.878 3.941 6.104 1.00 41.34 H new ATOM 415 N GLY A 26 -11.228 -1.660 9.400 1.00 13.11 N ATOM 416 CA GLY A 26 -11.274 -3.126 9.280 1.00 13.23 C ATOM 417 C GLY A 26 -11.730 -3.590 7.899 1.00 0.41 C ATOM 418 O GLY A 26 -12.157 -4.733 7.725 1.00 44.31 O ATOM 0 H GLY A 26 -10.314 -1.257 9.192 1.00 13.11 H new ATOM 0 HA2 GLY A 26 -10.285 -3.535 9.488 1.00 13.23 H new ATOM 0 HA3 GLY A 26 -11.950 -3.527 10.035 1.00 13.23 H new ATOM 422 N LEU A 27 -11.659 -2.676 6.923 1.00 35.12 N ATOM 423 CA LEU A 27 -11.971 -2.952 5.512 1.00 63.12 C ATOM 424 C LEU A 27 -10.700 -3.411 4.781 1.00 32.52 C ATOM 425 O LEU A 27 -9.619 -2.831 4.985 1.00 13.32 O ATOM 426 CB LEU A 27 -12.538 -1.672 4.824 1.00 33.52 C ATOM 427 CG LEU A 27 -13.859 -1.097 5.424 1.00 23.54 C ATOM 428 CD1 LEU A 27 -14.240 0.238 4.748 1.00 51.20 C ATOM 429 CD2 LEU A 27 -15.012 -2.124 5.334 1.00 62.13 C ATOM 0 H LEU A 27 -11.379 -1.710 7.092 1.00 35.12 H new ATOM 0 HA LEU A 27 -12.722 -3.740 5.465 1.00 63.12 H new ATOM 0 HB2 LEU A 27 -11.776 -0.894 4.865 1.00 33.52 H new ATOM 0 HB3 LEU A 27 -12.709 -1.896 3.771 1.00 33.52 H new ATOM 0 HG LEU A 27 -13.684 -0.895 6.481 1.00 23.54 H new ATOM 0 HD11 LEU A 27 -15.164 0.616 5.185 1.00 51.20 H new ATOM 0 HD12 LEU A 27 -13.442 0.964 4.902 1.00 51.20 H new ATOM 0 HD13 LEU A 27 -14.383 0.077 3.680 1.00 51.20 H new ATOM 0 HD21 LEU A 27 -15.918 -1.693 5.760 1.00 62.13 H new ATOM 0 HD22 LEU A 27 -15.189 -2.381 4.290 1.00 62.13 H new ATOM 0 HD23 LEU A 27 -14.743 -3.023 5.888 1.00 62.13 H new ATOM 441 N ASP A 28 -10.835 -4.454 3.945 1.00 52.30 N ATOM 442 CA ASP A 28 -9.754 -4.908 3.057 1.00 42.50 C ATOM 443 C ASP A 28 -9.616 -3.900 1.900 1.00 34.50 C ATOM 444 O ASP A 28 -10.631 -3.441 1.346 1.00 64.24 O ATOM 445 CB ASP A 28 -10.045 -6.331 2.496 1.00 63.22 C ATOM 446 CG ASP A 28 -10.361 -7.361 3.591 1.00 43.53 C ATOM 447 OD1 ASP A 28 -9.423 -7.936 4.171 1.00 33.11 O ATOM 448 OD2 ASP A 28 -11.553 -7.586 3.888 1.00 51.24 O ATOM 0 H ASP A 28 -11.691 -5.003 3.866 1.00 52.30 H new ATOM 0 HA ASP A 28 -8.825 -4.963 3.624 1.00 42.50 H new ATOM 0 HB2 ASP A 28 -10.885 -6.277 1.804 1.00 63.22 H new ATOM 0 HB3 ASP A 28 -9.182 -6.672 1.924 1.00 63.22 H new ATOM 453 N LEU A 29 -8.375 -3.571 1.530 1.00 64.03 N ATOM 454 CA LEU A 29 -8.088 -2.566 0.490 1.00 43.42 C ATOM 455 C LEU A 29 -6.973 -3.083 -0.412 1.00 15.11 C ATOM 456 O LEU A 29 -6.015 -3.630 0.078 1.00 4.41 O ATOM 457 CB LEU A 29 -7.661 -1.211 1.131 1.00 35.13 C ATOM 458 CG LEU A 29 -7.369 -0.061 0.115 1.00 24.21 C ATOM 459 CD1 LEU A 29 -8.604 0.246 -0.748 1.00 23.22 C ATOM 460 CD2 LEU A 29 -6.852 1.204 0.825 1.00 5.33 C ATOM 0 H LEU A 29 -7.540 -3.990 1.939 1.00 64.03 H new ATOM 0 HA LEU A 29 -8.992 -2.397 -0.095 1.00 43.42 H new ATOM 0 HB2 LEU A 29 -8.448 -0.884 1.810 1.00 35.13 H new ATOM 0 HB3 LEU A 29 -6.769 -1.377 1.734 1.00 35.13 H new ATOM 0 HG LEU A 29 -6.577 -0.406 -0.550 1.00 24.21 H new ATOM 0 HD11 LEU A 29 -8.370 1.050 -1.445 1.00 23.22 H new ATOM 0 HD12 LEU A 29 -8.889 -0.646 -1.306 1.00 23.22 H new ATOM 0 HD13 LEU A 29 -9.430 0.552 -0.106 1.00 23.22 H new ATOM 0 HD21 LEU A 29 -6.660 1.983 0.087 1.00 5.33 H new ATOM 0 HD22 LEU A 29 -7.601 1.554 1.535 1.00 5.33 H new ATOM 0 HD23 LEU A 29 -5.929 0.972 1.356 1.00 5.33 H new ATOM 472 N GLU A 30 -7.105 -2.919 -1.732 1.00 35.52 N ATOM 473 CA GLU A 30 -6.032 -3.260 -2.675 1.00 3.31 C ATOM 474 C GLU A 30 -5.533 -1.960 -3.324 1.00 61.11 C ATOM 475 O GLU A 30 -6.312 -1.217 -3.904 1.00 25.54 O ATOM 476 CB GLU A 30 -6.556 -4.275 -3.730 1.00 42.42 C ATOM 477 CG GLU A 30 -5.451 -4.912 -4.586 1.00 14.25 C ATOM 478 CD GLU A 30 -5.986 -5.971 -5.554 1.00 21.34 C ATOM 479 OE1 GLU A 30 -6.092 -7.150 -5.162 1.00 51.42 O ATOM 480 OE2 GLU A 30 -6.311 -5.630 -6.712 1.00 51.24 O ATOM 0 H GLU A 30 -7.947 -2.551 -2.174 1.00 35.52 H new ATOM 0 HA GLU A 30 -5.198 -3.738 -2.160 1.00 3.31 H new ATOM 0 HB2 GLU A 30 -7.105 -5.065 -3.218 1.00 42.42 H new ATOM 0 HB3 GLU A 30 -7.264 -3.769 -4.386 1.00 42.42 H new ATOM 0 HG2 GLU A 30 -4.942 -4.132 -5.153 1.00 14.25 H new ATOM 0 HG3 GLU A 30 -4.708 -5.367 -3.931 1.00 14.25 H new ATOM 487 N VAL A 31 -4.248 -1.654 -3.176 1.00 34.55 N ATOM 488 CA VAL A 31 -3.632 -0.436 -3.756 1.00 21.15 C ATOM 489 C VAL A 31 -2.560 -0.843 -4.774 1.00 0.14 C ATOM 490 O VAL A 31 -1.569 -1.497 -4.432 1.00 50.15 O ATOM 491 CB VAL A 31 -3.037 0.526 -2.642 1.00 51.05 C ATOM 492 CG1 VAL A 31 -4.145 1.400 -1.996 1.00 32.20 C ATOM 493 CG2 VAL A 31 -2.273 -0.276 -1.560 1.00 0.21 C ATOM 0 H VAL A 31 -3.593 -2.235 -2.653 1.00 34.55 H new ATOM 0 HA VAL A 31 -4.411 0.133 -4.263 1.00 21.15 H new ATOM 0 HB VAL A 31 -2.329 1.193 -3.134 1.00 51.05 H new ATOM 0 HG11 VAL A 31 -3.703 2.046 -1.238 1.00 32.20 H new ATOM 0 HG12 VAL A 31 -4.619 2.012 -2.763 1.00 32.20 H new ATOM 0 HG13 VAL A 31 -4.892 0.756 -1.532 1.00 32.20 H new ATOM 0 HG21 VAL A 31 -1.877 0.410 -0.811 1.00 0.21 H new ATOM 0 HG22 VAL A 31 -2.953 -0.982 -1.083 1.00 0.21 H new ATOM 0 HG23 VAL A 31 -1.451 -0.821 -2.024 1.00 0.21 H new ATOM 503 N GLU A 32 -2.788 -0.467 -6.039 1.00 64.32 N ATOM 504 CA GLU A 32 -1.868 -0.733 -7.150 1.00 51.21 C ATOM 505 C GLU A 32 -1.164 0.577 -7.503 1.00 53.02 C ATOM 506 O GLU A 32 -1.763 1.480 -8.093 1.00 12.22 O ATOM 507 CB GLU A 32 -2.638 -1.317 -8.367 1.00 2.13 C ATOM 508 CG GLU A 32 -1.748 -1.730 -9.563 1.00 74.43 C ATOM 509 CD GLU A 32 -2.531 -2.455 -10.671 1.00 44.43 C ATOM 510 OE1 GLU A 32 -2.829 -3.662 -10.513 1.00 1.40 O ATOM 511 OE2 GLU A 32 -2.881 -1.815 -11.689 1.00 62.41 O ATOM 0 H GLU A 32 -3.628 0.037 -6.322 1.00 64.32 H new ATOM 0 HA GLU A 32 -1.125 -1.477 -6.862 1.00 51.21 H new ATOM 0 HB2 GLU A 32 -3.204 -2.188 -8.036 1.00 2.13 H new ATOM 0 HB3 GLU A 32 -3.362 -0.577 -8.710 1.00 2.13 H new ATOM 0 HG2 GLU A 32 -1.275 -0.841 -9.981 1.00 74.43 H new ATOM 0 HG3 GLU A 32 -0.948 -2.379 -9.207 1.00 74.43 H new ATOM 518 N PHE A 33 0.101 0.683 -7.095 1.00 44.40 N ATOM 519 CA PHE A 33 0.893 1.898 -7.249 1.00 34.51 C ATOM 520 C PHE A 33 1.385 1.988 -8.702 1.00 41.31 C ATOM 521 O PHE A 33 2.275 1.233 -9.131 1.00 75.41 O ATOM 522 CB PHE A 33 2.066 1.883 -6.231 1.00 23.34 C ATOM 523 CG PHE A 33 2.888 3.164 -6.131 1.00 11.42 C ATOM 524 CD1 PHE A 33 2.327 4.415 -6.401 1.00 40.22 C ATOM 525 CD2 PHE A 33 4.230 3.112 -5.769 1.00 11.24 C ATOM 526 CE1 PHE A 33 3.076 5.561 -6.291 1.00 64.03 C ATOM 527 CE2 PHE A 33 4.971 4.262 -5.660 1.00 43.24 C ATOM 528 CZ PHE A 33 4.400 5.483 -5.937 1.00 74.41 C ATOM 0 H PHE A 33 0.607 -0.080 -6.645 1.00 44.40 H new ATOM 0 HA PHE A 33 0.292 2.783 -7.041 1.00 34.51 H new ATOM 0 HB2 PHE A 33 1.660 1.658 -5.244 1.00 23.34 H new ATOM 0 HB3 PHE A 33 2.737 1.065 -6.494 1.00 23.34 H new ATOM 0 HD1 PHE A 33 1.291 4.482 -6.700 1.00 40.22 H new ATOM 0 HD2 PHE A 33 4.694 2.157 -5.572 1.00 11.24 H new ATOM 0 HE1 PHE A 33 2.624 6.523 -6.483 1.00 64.03 H new ATOM 0 HE2 PHE A 33 6.006 4.209 -5.356 1.00 43.24 H new ATOM 0 HZ PHE A 33 4.995 6.382 -5.876 1.00 74.41 H new ATOM 538 N ASP A 34 0.751 2.895 -9.462 1.00 74.34 N ATOM 539 CA ASP A 34 0.997 3.077 -10.894 1.00 14.41 C ATOM 540 C ASP A 34 2.194 4.030 -11.103 1.00 45.42 C ATOM 541 O ASP A 34 2.033 5.231 -11.322 1.00 72.44 O ATOM 542 CB ASP A 34 -0.298 3.601 -11.576 1.00 34.01 C ATOM 543 CG ASP A 34 -0.148 3.788 -13.099 1.00 14.22 C ATOM 544 OD1 ASP A 34 -0.097 2.769 -13.827 1.00 33.12 O ATOM 545 OD2 ASP A 34 -0.075 4.947 -13.576 1.00 71.43 O ATOM 0 H ASP A 34 0.044 3.529 -9.090 1.00 74.34 H new ATOM 0 HA ASP A 34 1.256 2.125 -11.357 1.00 14.41 H new ATOM 0 HB2 ASP A 34 -1.112 2.903 -11.380 1.00 34.01 H new ATOM 0 HB3 ASP A 34 -0.579 4.553 -11.125 1.00 34.01 H new ATOM 550 N SER A 35 3.398 3.469 -10.954 1.00 31.51 N ATOM 551 CA SER A 35 4.665 4.194 -11.141 1.00 13.14 C ATOM 552 C SER A 35 5.778 3.202 -11.500 1.00 72.31 C ATOM 553 O SER A 35 5.655 1.991 -11.262 1.00 43.22 O ATOM 554 CB SER A 35 5.037 4.970 -9.854 1.00 31.20 C ATOM 555 OG SER A 35 5.274 4.088 -8.776 1.00 12.24 O ATOM 0 H SER A 35 3.525 2.490 -10.698 1.00 31.51 H new ATOM 0 HA SER A 35 4.547 4.910 -11.954 1.00 13.14 H new ATOM 0 HB2 SER A 35 5.926 5.575 -10.035 1.00 31.20 H new ATOM 0 HB3 SER A 35 4.231 5.657 -9.595 1.00 31.20 H new ATOM 0 HG SER A 35 5.039 4.530 -7.934 1.00 12.24 H new ATOM 561 N THR A 36 6.864 3.730 -12.084 1.00 24.14 N ATOM 562 CA THR A 36 8.086 2.960 -12.391 1.00 21.42 C ATOM 563 C THR A 36 9.310 3.606 -11.729 1.00 22.42 C ATOM 564 O THR A 36 10.451 3.285 -12.069 1.00 22.10 O ATOM 565 CB THR A 36 8.300 2.843 -13.937 1.00 14.32 C ATOM 566 OG1 THR A 36 8.260 4.148 -14.539 1.00 10.14 O ATOM 567 CG2 THR A 36 7.238 1.945 -14.592 1.00 42.25 C ATOM 0 H THR A 36 6.923 4.710 -12.360 1.00 24.14 H new ATOM 0 HA THR A 36 7.962 1.955 -11.988 1.00 21.42 H new ATOM 0 HB THR A 36 9.277 2.388 -14.100 1.00 14.32 H new ATOM 0 HG1 THR A 36 8.396 4.066 -15.506 1.00 10.14 H new ATOM 0 HG21 THR A 36 7.421 1.889 -15.665 1.00 42.25 H new ATOM 0 HG22 THR A 36 7.292 0.945 -14.162 1.00 42.25 H new ATOM 0 HG23 THR A 36 6.247 2.364 -14.414 1.00 42.25 H new ATOM 575 N ASP A 37 9.066 4.502 -10.755 1.00 45.15 N ATOM 576 CA ASP A 37 10.130 5.175 -10.001 1.00 62.11 C ATOM 577 C ASP A 37 10.431 4.334 -8.760 1.00 25.13 C ATOM 578 O ASP A 37 9.634 4.323 -7.813 1.00 41.33 O ATOM 579 CB ASP A 37 9.692 6.609 -9.603 1.00 63.21 C ATOM 580 CG ASP A 37 10.800 7.398 -8.871 1.00 10.05 C ATOM 581 OD1 ASP A 37 11.012 7.177 -7.661 1.00 3.33 O ATOM 582 OD2 ASP A 37 11.477 8.232 -9.514 1.00 4.45 O ATOM 0 H ASP A 37 8.125 4.777 -10.472 1.00 45.15 H new ATOM 0 HA ASP A 37 11.026 5.268 -10.614 1.00 62.11 H new ATOM 0 HB2 ASP A 37 9.397 7.155 -10.499 1.00 63.21 H new ATOM 0 HB3 ASP A 37 8.812 6.549 -8.962 1.00 63.21 H new ATOM 587 N ASP A 38 11.580 3.642 -8.784 1.00 23.14 N ATOM 588 CA ASP A 38 11.995 2.704 -7.720 1.00 44.20 C ATOM 589 C ASP A 38 11.991 3.336 -6.314 1.00 60.03 C ATOM 590 O ASP A 38 11.605 2.672 -5.365 1.00 35.53 O ATOM 591 CB ASP A 38 13.400 2.114 -8.016 1.00 3.42 C ATOM 592 CG ASP A 38 13.435 1.217 -9.263 1.00 53.41 C ATOM 593 OD1 ASP A 38 12.893 0.094 -9.201 1.00 52.43 O ATOM 594 OD2 ASP A 38 13.999 1.625 -10.306 1.00 3.13 O ATOM 0 H ASP A 38 12.255 3.715 -9.546 1.00 23.14 H new ATOM 0 HA ASP A 38 11.250 1.908 -7.722 1.00 44.20 H new ATOM 0 HB2 ASP A 38 14.109 2.932 -8.146 1.00 3.42 H new ATOM 0 HB3 ASP A 38 13.733 1.537 -7.153 1.00 3.42 H new ATOM 599 N LYS A 39 12.365 4.629 -6.212 1.00 21.42 N ATOM 600 CA LYS A 39 12.543 5.319 -4.914 1.00 72.51 C ATOM 601 C LYS A 39 11.219 5.375 -4.131 1.00 65.05 C ATOM 602 O LYS A 39 11.127 4.857 -3.013 1.00 43.11 O ATOM 603 CB LYS A 39 13.087 6.753 -5.121 1.00 61.25 C ATOM 604 CG LYS A 39 14.384 6.833 -5.957 1.00 34.21 C ATOM 605 CD LYS A 39 14.862 8.293 -6.159 1.00 73.25 C ATOM 606 CE LYS A 39 13.828 9.165 -6.902 1.00 31.42 C ATOM 607 NZ LYS A 39 14.239 10.594 -6.976 1.00 44.04 N ATOM 0 H LYS A 39 12.551 5.222 -7.021 1.00 21.42 H new ATOM 0 HA LYS A 39 13.268 4.746 -4.336 1.00 72.51 H new ATOM 0 HB2 LYS A 39 12.318 7.353 -5.608 1.00 61.25 H new ATOM 0 HB3 LYS A 39 13.271 7.202 -4.145 1.00 61.25 H new ATOM 0 HG2 LYS A 39 15.169 6.261 -5.462 1.00 34.21 H new ATOM 0 HG3 LYS A 39 14.217 6.370 -6.929 1.00 34.21 H new ATOM 0 HD2 LYS A 39 15.074 8.738 -5.187 1.00 73.25 H new ATOM 0 HD3 LYS A 39 15.797 8.290 -6.719 1.00 73.25 H new ATOM 0 HE2 LYS A 39 13.688 8.777 -7.911 1.00 31.42 H new ATOM 0 HE3 LYS A 39 12.865 9.092 -6.396 1.00 31.42 H new ATOM 0 HZ1 LYS A 39 13.513 11.138 -7.484 1.00 44.04 H new ATOM 0 HZ2 LYS A 39 14.347 10.974 -6.014 1.00 44.04 H new ATOM 0 HZ3 LYS A 39 15.145 10.669 -7.482 1.00 44.04 H new ATOM 621 N GLU A 40 10.189 5.971 -4.759 1.00 34.43 N ATOM 622 CA GLU A 40 8.868 6.148 -4.133 1.00 24.03 C ATOM 623 C GLU A 40 8.139 4.794 -3.987 1.00 33.24 C ATOM 624 O GLU A 40 7.323 4.625 -3.070 1.00 61.23 O ATOM 625 CB GLU A 40 8.024 7.182 -4.925 1.00 64.31 C ATOM 626 CG GLU A 40 7.769 6.826 -6.402 1.00 72.10 C ATOM 627 CD GLU A 40 7.138 7.978 -7.207 1.00 2.22 C ATOM 628 OE1 GLU A 40 7.877 8.890 -7.626 1.00 70.15 O ATOM 629 OE2 GLU A 40 5.908 7.983 -7.407 1.00 34.20 O ATOM 0 H GLU A 40 10.249 6.341 -5.708 1.00 34.43 H new ATOM 0 HA GLU A 40 9.010 6.543 -3.127 1.00 24.03 H new ATOM 0 HB2 GLU A 40 7.063 7.302 -4.425 1.00 64.31 H new ATOM 0 HB3 GLU A 40 8.528 8.148 -4.882 1.00 64.31 H new ATOM 0 HG2 GLU A 40 8.712 6.541 -6.868 1.00 72.10 H new ATOM 0 HG3 GLU A 40 7.114 5.956 -6.451 1.00 72.10 H new ATOM 636 N ILE A 41 8.450 3.830 -4.895 1.00 32.41 N ATOM 637 CA ILE A 41 7.986 2.425 -4.782 1.00 40.44 C ATOM 638 C ILE A 41 8.506 1.769 -3.481 1.00 20.42 C ATOM 639 O ILE A 41 7.736 1.132 -2.768 1.00 32.02 O ATOM 640 CB ILE A 41 8.395 1.583 -6.065 1.00 53.42 C ATOM 641 CG1 ILE A 41 7.547 2.029 -7.309 1.00 12.33 C ATOM 642 CG2 ILE A 41 8.277 0.055 -5.833 1.00 54.20 C ATOM 643 CD1 ILE A 41 7.906 1.347 -8.619 1.00 11.21 C ATOM 0 H ILE A 41 9.025 4.006 -5.719 1.00 32.41 H new ATOM 0 HA ILE A 41 6.897 2.434 -4.730 1.00 40.44 H new ATOM 0 HB ILE A 41 9.447 1.790 -6.264 1.00 53.42 H new ATOM 0 HG12 ILE A 41 6.495 1.840 -7.097 1.00 12.33 H new ATOM 0 HG13 ILE A 41 7.658 3.106 -7.437 1.00 12.33 H new ATOM 0 HG21 ILE A 41 8.568 -0.474 -6.740 1.00 54.20 H new ATOM 0 HG22 ILE A 41 8.933 -0.240 -5.014 1.00 54.20 H new ATOM 0 HG23 ILE A 41 7.247 -0.196 -5.581 1.00 54.20 H new ATOM 0 HD11 ILE A 41 7.263 1.725 -9.414 1.00 11.21 H new ATOM 0 HD12 ILE A 41 8.947 1.556 -8.864 1.00 11.21 H new ATOM 0 HD13 ILE A 41 7.765 0.271 -8.519 1.00 11.21 H new ATOM 655 N GLU A 42 9.800 1.984 -3.164 1.00 52.54 N ATOM 656 CA GLU A 42 10.452 1.437 -1.946 1.00 22.10 C ATOM 657 C GLU A 42 9.826 2.000 -0.665 1.00 64.31 C ATOM 658 O GLU A 42 9.634 1.275 0.318 1.00 41.53 O ATOM 659 CB GLU A 42 11.968 1.751 -1.962 1.00 62.22 C ATOM 660 CG GLU A 42 12.758 1.021 -3.058 1.00 24.32 C ATOM 661 CD GLU A 42 14.193 1.538 -3.200 1.00 14.54 C ATOM 662 OE1 GLU A 42 14.366 2.738 -3.486 1.00 42.54 O ATOM 663 OE2 GLU A 42 15.157 0.758 -3.041 1.00 72.24 O ATOM 0 H GLU A 42 10.427 2.542 -3.744 1.00 52.54 H new ATOM 0 HA GLU A 42 10.300 0.358 -1.952 1.00 22.10 H new ATOM 0 HB2 GLU A 42 12.102 2.825 -2.089 1.00 62.22 H new ATOM 0 HB3 GLU A 42 12.391 1.490 -0.992 1.00 62.22 H new ATOM 0 HG2 GLU A 42 12.781 -0.045 -2.833 1.00 24.32 H new ATOM 0 HG3 GLU A 42 12.240 1.135 -4.010 1.00 24.32 H new ATOM 670 N GLU A 43 9.526 3.308 -0.697 1.00 2.43 N ATOM 671 CA GLU A 43 8.892 4.019 0.426 1.00 4.31 C ATOM 672 C GLU A 43 7.437 3.551 0.634 1.00 52.51 C ATOM 673 O GLU A 43 6.956 3.459 1.780 1.00 34.12 O ATOM 674 CB GLU A 43 8.981 5.537 0.180 1.00 54.34 C ATOM 675 CG GLU A 43 10.432 6.058 0.042 1.00 34.45 C ATOM 676 CD GLU A 43 10.524 7.560 -0.249 1.00 40.42 C ATOM 677 OE1 GLU A 43 10.183 7.970 -1.373 1.00 13.44 O ATOM 678 OE2 GLU A 43 10.919 8.336 0.648 1.00 11.44 O ATOM 0 H GLU A 43 9.716 3.904 -1.503 1.00 2.43 H new ATOM 0 HA GLU A 43 9.425 3.786 1.348 1.00 4.31 H new ATOM 0 HB2 GLU A 43 8.428 5.783 -0.726 1.00 54.34 H new ATOM 0 HB3 GLU A 43 8.493 6.059 1.003 1.00 54.34 H new ATOM 0 HG2 GLU A 43 10.975 5.842 0.962 1.00 34.45 H new ATOM 0 HG3 GLU A 43 10.930 5.511 -0.758 1.00 34.45 H new ATOM 685 N PHE A 44 6.778 3.189 -0.480 1.00 13.40 N ATOM 686 CA PHE A 44 5.424 2.617 -0.477 1.00 70.52 C ATOM 687 C PHE A 44 5.461 1.223 0.177 1.00 74.42 C ATOM 688 O PHE A 44 4.630 0.922 1.035 1.00 3.13 O ATOM 689 CB PHE A 44 4.905 2.549 -1.940 1.00 34.44 C ATOM 690 CG PHE A 44 3.486 2.004 -2.134 1.00 11.31 C ATOM 691 CD1 PHE A 44 2.370 2.760 -1.780 1.00 42.30 C ATOM 692 CD2 PHE A 44 3.272 0.756 -2.717 1.00 61.25 C ATOM 693 CE1 PHE A 44 1.096 2.281 -2.008 1.00 60.44 C ATOM 694 CE2 PHE A 44 1.998 0.278 -2.933 1.00 74.32 C ATOM 695 CZ PHE A 44 0.911 1.042 -2.583 1.00 71.30 C ATOM 0 H PHE A 44 7.175 3.287 -1.415 1.00 13.40 H new ATOM 0 HA PHE A 44 4.743 3.241 0.102 1.00 70.52 H new ATOM 0 HB2 PHE A 44 4.947 3.552 -2.365 1.00 34.44 H new ATOM 0 HB3 PHE A 44 5.591 1.929 -2.518 1.00 34.44 H new ATOM 0 HD1 PHE A 44 2.503 3.729 -1.323 1.00 42.30 H new ATOM 0 HD2 PHE A 44 4.120 0.153 -3.005 1.00 61.25 H new ATOM 0 HE1 PHE A 44 0.240 2.880 -1.735 1.00 60.44 H new ATOM 0 HE2 PHE A 44 1.854 -0.696 -3.377 1.00 74.32 H new ATOM 0 HZ PHE A 44 -0.088 0.672 -2.758 1.00 71.30 H new ATOM 705 N GLU A 45 6.485 0.410 -0.209 1.00 60.41 N ATOM 706 CA GLU A 45 6.716 -0.948 0.337 1.00 51.10 C ATOM 707 C GLU A 45 6.828 -0.910 1.861 1.00 33.40 C ATOM 708 O GLU A 45 5.981 -1.460 2.559 1.00 1.44 O ATOM 709 CB GLU A 45 8.014 -1.594 -0.247 1.00 62.13 C ATOM 710 CG GLU A 45 7.991 -1.827 -1.757 1.00 33.23 C ATOM 711 CD GLU A 45 9.198 -2.602 -2.297 1.00 64.22 C ATOM 712 OE1 GLU A 45 10.285 -2.007 -2.454 1.00 62.15 O ATOM 713 OE2 GLU A 45 9.071 -3.824 -2.543 1.00 40.20 O ATOM 0 H GLU A 45 7.173 0.685 -0.911 1.00 60.41 H new ATOM 0 HA GLU A 45 5.858 -1.554 0.045 1.00 51.10 H new ATOM 0 HB2 GLU A 45 8.862 -0.953 -0.005 1.00 62.13 H new ATOM 0 HB3 GLU A 45 8.184 -2.549 0.251 1.00 62.13 H new ATOM 0 HG2 GLU A 45 7.081 -2.370 -2.015 1.00 33.23 H new ATOM 0 HG3 GLU A 45 7.940 -0.862 -2.260 1.00 33.23 H new ATOM 720 N ARG A 46 7.868 -0.196 2.337 1.00 42.11 N ATOM 721 CA ARG A 46 8.260 -0.176 3.751 1.00 43.52 C ATOM 722 C ARG A 46 7.122 0.328 4.664 1.00 1.00 C ATOM 723 O ARG A 46 6.889 -0.255 5.723 1.00 70.21 O ATOM 724 CB ARG A 46 9.549 0.669 3.945 1.00 14.11 C ATOM 725 CG ARG A 46 9.412 2.161 3.595 1.00 51.11 C ATOM 726 CD ARG A 46 10.736 2.927 3.667 1.00 0.11 C ATOM 727 NE ARG A 46 11.301 2.965 5.028 1.00 73.25 N ATOM 728 CZ ARG A 46 12.552 2.607 5.360 1.00 64.03 C ATOM 729 NH1 ARG A 46 13.405 2.166 4.437 1.00 24.22 N ATOM 730 NH2 ARG A 46 12.941 2.701 6.623 1.00 1.22 N ATOM 0 H ARG A 46 8.460 0.385 1.743 1.00 42.11 H new ATOM 0 HA ARG A 46 8.469 -1.204 4.048 1.00 43.52 H new ATOM 0 HB2 ARG A 46 9.868 0.584 4.984 1.00 14.11 H new ATOM 0 HB3 ARG A 46 10.342 0.240 3.332 1.00 14.11 H new ATOM 0 HG2 ARG A 46 9.001 2.254 2.590 1.00 51.11 H new ATOM 0 HG3 ARG A 46 8.697 2.622 4.276 1.00 51.11 H new ATOM 0 HD2 ARG A 46 11.456 2.463 2.993 1.00 0.11 H new ATOM 0 HD3 ARG A 46 10.580 3.947 3.315 1.00 0.11 H new ATOM 0 HE ARG A 46 10.692 3.290 5.779 1.00 73.25 H new ATOM 0 HH11 ARG A 46 13.111 2.097 3.463 1.00 24.22 H new ATOM 0 HH12 ARG A 46 14.352 1.898 4.704 1.00 24.22 H new ATOM 0 HH21 ARG A 46 12.292 3.043 7.332 1.00 1.22 H new ATOM 0 HH22 ARG A 46 13.889 2.432 6.886 1.00 1.22 H new ATOM 744 N ASP A 47 6.415 1.405 4.235 1.00 5.01 N ATOM 745 CA ASP A 47 5.333 2.003 5.035 1.00 64.35 C ATOM 746 C ASP A 47 4.080 1.096 5.080 1.00 11.52 C ATOM 747 O ASP A 47 3.365 1.092 6.085 1.00 63.25 O ATOM 748 CB ASP A 47 4.991 3.420 4.511 1.00 34.34 C ATOM 749 CG ASP A 47 4.150 4.236 5.513 1.00 45.53 C ATOM 750 OD1 ASP A 47 4.738 4.845 6.432 1.00 4.55 O ATOM 751 OD2 ASP A 47 2.911 4.271 5.400 1.00 60.04 O ATOM 0 H ASP A 47 6.580 1.870 3.342 1.00 5.01 H new ATOM 0 HA ASP A 47 5.689 2.096 6.061 1.00 64.35 H new ATOM 0 HB2 ASP A 47 5.915 3.957 4.296 1.00 34.34 H new ATOM 0 HB3 ASP A 47 4.446 3.334 3.571 1.00 34.34 H new ATOM 756 N MET A 48 3.825 0.322 3.994 1.00 21.11 N ATOM 757 CA MET A 48 2.720 -0.678 3.964 1.00 54.31 C ATOM 758 C MET A 48 3.040 -1.903 4.845 1.00 23.51 C ATOM 759 O MET A 48 2.153 -2.438 5.523 1.00 72.21 O ATOM 760 CB MET A 48 2.415 -1.150 2.517 1.00 52.41 C ATOM 761 CG MET A 48 1.727 -0.099 1.643 1.00 34.33 C ATOM 762 SD MET A 48 0.148 0.444 2.326 1.00 55.55 S ATOM 763 CE MET A 48 -0.391 1.589 1.064 1.00 53.41 C ATOM 0 H MET A 48 4.365 0.369 3.130 1.00 21.11 H new ATOM 0 HA MET A 48 1.838 -0.177 4.364 1.00 54.31 H new ATOM 0 HB2 MET A 48 3.349 -1.447 2.040 1.00 52.41 H new ATOM 0 HB3 MET A 48 1.784 -2.037 2.562 1.00 52.41 H new ATOM 0 HG2 MET A 48 2.386 0.762 1.530 1.00 34.33 H new ATOM 0 HG3 MET A 48 1.566 -0.510 0.646 1.00 34.33 H new ATOM 0 HE1 MET A 48 -1.438 1.402 0.826 1.00 53.41 H new ATOM 0 HE2 MET A 48 -0.279 2.610 1.428 1.00 53.41 H new ATOM 0 HE3 MET A 48 0.215 1.454 0.168 1.00 53.41 H new ATOM 773 N GLU A 49 4.311 -2.351 4.795 1.00 11.12 N ATOM 774 CA GLU A 49 4.816 -3.485 5.602 1.00 52.25 C ATOM 775 C GLU A 49 4.738 -3.161 7.100 1.00 72.00 C ATOM 776 O GLU A 49 4.277 -3.986 7.898 1.00 52.05 O ATOM 777 CB GLU A 49 6.271 -3.849 5.191 1.00 14.35 C ATOM 778 CG GLU A 49 6.399 -4.423 3.771 1.00 62.44 C ATOM 779 CD GLU A 49 7.850 -4.664 3.341 1.00 12.11 C ATOM 780 OE1 GLU A 49 8.482 -3.731 2.805 1.00 11.41 O ATOM 781 OE2 GLU A 49 8.368 -5.781 3.537 1.00 31.15 O ATOM 0 H GLU A 49 5.021 -1.936 4.191 1.00 11.12 H new ATOM 0 HA GLU A 49 4.183 -4.351 5.408 1.00 52.25 H new ATOM 0 HB2 GLU A 49 6.892 -2.957 5.268 1.00 14.35 H new ATOM 0 HB3 GLU A 49 6.667 -4.575 5.901 1.00 14.35 H new ATOM 0 HG2 GLU A 49 5.851 -5.363 3.716 1.00 62.44 H new ATOM 0 HG3 GLU A 49 5.928 -3.738 3.066 1.00 62.44 H new ATOM 788 N ASP A 50 5.156 -1.930 7.457 1.00 61.14 N ATOM 789 CA ASP A 50 5.070 -1.430 8.839 1.00 15.44 C ATOM 790 C ASP A 50 3.603 -1.270 9.250 1.00 1.20 C ATOM 791 O ASP A 50 3.239 -1.702 10.326 1.00 25.45 O ATOM 792 CB ASP A 50 5.861 -0.092 9.032 1.00 53.53 C ATOM 793 CG ASP A 50 7.347 -0.317 9.377 1.00 72.51 C ATOM 794 OD1 ASP A 50 7.644 -0.601 10.559 1.00 44.53 O ATOM 795 OD2 ASP A 50 8.214 -0.236 8.486 1.00 71.22 O ATOM 0 H ASP A 50 5.559 -1.262 6.800 1.00 61.14 H new ATOM 0 HA ASP A 50 5.539 -2.167 9.491 1.00 15.44 H new ATOM 0 HB2 ASP A 50 5.791 0.500 8.120 1.00 53.53 H new ATOM 0 HB3 ASP A 50 5.393 0.489 9.826 1.00 53.53 H new ATOM 800 N LEU A 51 2.763 -0.710 8.340 1.00 13.45 N ATOM 801 CA LEU A 51 1.309 -0.506 8.584 1.00 74.14 C ATOM 802 C LEU A 51 0.654 -1.822 9.040 1.00 4.22 C ATOM 803 O LEU A 51 -0.014 -1.871 10.073 1.00 22.32 O ATOM 804 CB LEU A 51 0.596 0.003 7.297 1.00 51.03 C ATOM 805 CG LEU A 51 -0.975 0.072 7.340 1.00 54.41 C ATOM 806 CD1 LEU A 51 -1.478 1.082 8.394 1.00 24.41 C ATOM 807 CD2 LEU A 51 -1.556 0.370 5.941 1.00 35.51 C ATOM 0 H LEU A 51 3.071 -0.389 7.422 1.00 13.45 H new ATOM 0 HA LEU A 51 1.204 0.245 9.367 1.00 74.14 H new ATOM 0 HB2 LEU A 51 0.974 1.000 7.070 1.00 51.03 H new ATOM 0 HB3 LEU A 51 0.886 -0.644 6.469 1.00 51.03 H new ATOM 0 HG LEU A 51 -1.337 -0.909 7.646 1.00 54.41 H new ATOM 0 HD11 LEU A 51 -2.568 1.099 8.391 1.00 24.41 H new ATOM 0 HD12 LEU A 51 -1.122 0.786 9.381 1.00 24.41 H new ATOM 0 HD13 LEU A 51 -1.099 2.076 8.155 1.00 24.41 H new ATOM 0 HD21 LEU A 51 -2.644 0.412 6.000 1.00 35.51 H new ATOM 0 HD22 LEU A 51 -1.175 1.327 5.585 1.00 35.51 H new ATOM 0 HD23 LEU A 51 -1.261 -0.418 5.249 1.00 35.51 H new ATOM 819 N ALA A 52 0.919 -2.879 8.255 1.00 63.22 N ATOM 820 CA ALA A 52 0.374 -4.216 8.474 1.00 31.45 C ATOM 821 C ALA A 52 0.845 -4.821 9.807 1.00 45.50 C ATOM 822 O ALA A 52 0.030 -5.270 10.599 1.00 53.44 O ATOM 823 CB ALA A 52 0.750 -5.119 7.298 1.00 73.12 C ATOM 0 H ALA A 52 1.528 -2.821 7.439 1.00 63.22 H new ATOM 0 HA ALA A 52 -0.711 -4.136 8.535 1.00 31.45 H new ATOM 0 HB1 ALA A 52 0.343 -6.117 7.461 1.00 73.12 H new ATOM 0 HB2 ALA A 52 0.340 -4.706 6.376 1.00 73.12 H new ATOM 0 HB3 ALA A 52 1.835 -5.178 7.217 1.00 73.12 H new ATOM 829 N LYS A 53 2.165 -4.801 10.046 1.00 12.14 N ATOM 830 CA LYS A 53 2.770 -5.427 11.244 1.00 50.02 C ATOM 831 C LYS A 53 2.312 -4.726 12.546 1.00 25.41 C ATOM 832 O LYS A 53 1.962 -5.394 13.523 1.00 14.30 O ATOM 833 CB LYS A 53 4.336 -5.485 11.117 1.00 53.33 C ATOM 834 CG LYS A 53 4.940 -6.802 10.510 1.00 33.24 C ATOM 835 CD LYS A 53 4.822 -6.968 8.965 1.00 21.41 C ATOM 836 CE LYS A 53 3.420 -7.349 8.454 1.00 22.33 C ATOM 837 NZ LYS A 53 2.917 -8.626 9.031 1.00 11.23 N ATOM 0 H LYS A 53 2.842 -4.357 9.425 1.00 12.14 H new ATOM 0 HA LYS A 53 2.413 -6.455 11.304 1.00 50.02 H new ATOM 0 HB2 LYS A 53 4.660 -4.646 10.502 1.00 53.33 H new ATOM 0 HB3 LYS A 53 4.765 -5.338 12.108 1.00 53.33 H new ATOM 0 HG2 LYS A 53 5.995 -6.850 10.780 1.00 33.24 H new ATOM 0 HG3 LYS A 53 4.451 -7.653 10.984 1.00 33.24 H new ATOM 0 HD2 LYS A 53 5.123 -6.034 8.491 1.00 21.41 H new ATOM 0 HD3 LYS A 53 5.529 -7.732 8.642 1.00 21.41 H new ATOM 0 HE2 LYS A 53 2.721 -6.548 8.695 1.00 22.33 H new ATOM 0 HE3 LYS A 53 3.446 -7.433 7.368 1.00 22.33 H new ATOM 0 HZ1 LYS A 53 2.148 -8.996 8.437 1.00 11.23 H new ATOM 0 HZ2 LYS A 53 3.691 -9.319 9.067 1.00 11.23 H new ATOM 0 HZ3 LYS A 53 2.560 -8.456 9.993 1.00 11.23 H new ATOM 851 N LYS A 54 2.271 -3.380 12.509 1.00 52.32 N ATOM 852 CA LYS A 54 1.801 -2.527 13.627 1.00 23.32 C ATOM 853 C LYS A 54 0.321 -2.805 13.979 1.00 23.12 C ATOM 854 O LYS A 54 -0.067 -2.721 15.148 1.00 21.33 O ATOM 855 CB LYS A 54 2.016 -1.026 13.249 1.00 65.32 C ATOM 856 CG LYS A 54 3.513 -0.591 13.220 1.00 71.32 C ATOM 857 CD LYS A 54 3.766 0.709 12.406 1.00 11.35 C ATOM 858 CE LYS A 54 2.979 1.928 12.906 1.00 53.22 C ATOM 859 NZ LYS A 54 3.232 3.128 12.055 1.00 40.53 N ATOM 0 H LYS A 54 2.566 -2.844 11.693 1.00 52.32 H new ATOM 0 HA LYS A 54 2.383 -2.765 14.517 1.00 23.32 H new ATOM 0 HB2 LYS A 54 1.575 -0.841 12.270 1.00 65.32 H new ATOM 0 HB3 LYS A 54 1.480 -0.401 13.963 1.00 65.32 H new ATOM 0 HG2 LYS A 54 3.860 -0.443 14.243 1.00 71.32 H new ATOM 0 HG3 LYS A 54 4.109 -1.398 12.795 1.00 71.32 H new ATOM 0 HD2 LYS A 54 4.831 0.941 12.435 1.00 11.35 H new ATOM 0 HD3 LYS A 54 3.508 0.527 11.363 1.00 11.35 H new ATOM 0 HE2 LYS A 54 1.913 1.699 12.907 1.00 53.22 H new ATOM 0 HE3 LYS A 54 3.259 2.146 13.937 1.00 53.22 H new ATOM 0 HZ1 LYS A 54 2.685 3.934 12.420 1.00 40.53 H new ATOM 0 HZ2 LYS A 54 4.246 3.360 12.074 1.00 40.53 H new ATOM 0 HZ3 LYS A 54 2.942 2.927 11.077 1.00 40.53 H new ATOM 873 N THR A 55 -0.490 -3.142 12.961 1.00 71.11 N ATOM 874 CA THR A 55 -1.922 -3.475 13.137 1.00 63.41 C ATOM 875 C THR A 55 -2.147 -4.996 13.263 1.00 52.24 C ATOM 876 O THR A 55 -3.286 -5.439 13.450 1.00 61.41 O ATOM 877 CB THR A 55 -2.770 -2.896 11.962 1.00 20.44 C ATOM 878 OG1 THR A 55 -2.298 -3.412 10.704 1.00 72.33 O ATOM 879 CG2 THR A 55 -2.717 -1.354 11.941 1.00 43.40 C ATOM 0 H THR A 55 -0.175 -3.192 11.992 1.00 71.11 H new ATOM 0 HA THR A 55 -2.250 -3.015 14.069 1.00 63.41 H new ATOM 0 HB THR A 55 -3.804 -3.204 12.116 1.00 20.44 H new ATOM 0 HG1 THR A 55 -1.510 -2.905 10.417 1.00 72.33 H new ATOM 0 HG21 THR A 55 -3.317 -0.981 11.111 1.00 43.40 H new ATOM 0 HG22 THR A 55 -3.112 -0.964 12.879 1.00 43.40 H new ATOM 0 HG23 THR A 55 -1.685 -1.027 11.818 1.00 43.40 H new ATOM 887 N GLY A 56 -1.057 -5.789 13.147 1.00 71.12 N ATOM 888 CA GLY A 56 -1.106 -7.243 13.353 1.00 70.22 C ATOM 889 C GLY A 56 -1.705 -8.030 12.190 1.00 60.35 C ATOM 890 O GLY A 56 -2.017 -9.218 12.344 1.00 21.13 O ATOM 0 H GLY A 56 -0.130 -5.437 12.910 1.00 71.12 H new ATOM 0 HA2 GLY A 56 -0.094 -7.605 13.537 1.00 70.22 H new ATOM 0 HA3 GLY A 56 -1.687 -7.450 14.252 1.00 70.22 H new ATOM 894 N VAL A 57 -1.839 -7.382 11.018 1.00 71.40 N ATOM 895 CA VAL A 57 -2.369 -8.015 9.793 1.00 34.23 C ATOM 896 C VAL A 57 -1.218 -8.287 8.805 1.00 51.25 C ATOM 897 O VAL A 57 -0.048 -7.987 9.089 1.00 41.14 O ATOM 898 CB VAL A 57 -3.483 -7.133 9.105 1.00 55.44 C ATOM 899 CG1 VAL A 57 -4.647 -6.852 10.073 1.00 3.11 C ATOM 900 CG2 VAL A 57 -2.918 -5.814 8.525 1.00 62.32 C ATOM 0 H VAL A 57 -1.583 -6.403 10.892 1.00 71.40 H new ATOM 0 HA VAL A 57 -2.834 -8.958 10.081 1.00 34.23 H new ATOM 0 HB VAL A 57 -3.866 -7.713 8.265 1.00 55.44 H new ATOM 0 HG11 VAL A 57 -5.399 -6.243 9.571 1.00 3.11 H new ATOM 0 HG12 VAL A 57 -5.095 -7.795 10.387 1.00 3.11 H new ATOM 0 HG13 VAL A 57 -4.273 -6.319 10.947 1.00 3.11 H new ATOM 0 HG21 VAL A 57 -3.725 -5.245 8.063 1.00 62.32 H new ATOM 0 HG22 VAL A 57 -2.471 -5.226 9.327 1.00 62.32 H new ATOM 0 HG23 VAL A 57 -2.159 -6.041 7.776 1.00 62.32 H new ATOM 910 N GLN A 58 -1.557 -8.874 7.645 1.00 35.43 N ATOM 911 CA GLN A 58 -0.581 -9.220 6.589 1.00 71.13 C ATOM 912 C GLN A 58 -0.844 -8.402 5.313 1.00 1.55 C ATOM 913 O GLN A 58 -1.896 -7.770 5.172 1.00 71.41 O ATOM 914 CB GLN A 58 -0.678 -10.743 6.280 1.00 63.32 C ATOM 915 CG GLN A 58 -0.505 -11.660 7.502 1.00 64.25 C ATOM 916 CD GLN A 58 0.899 -11.654 8.102 1.00 32.22 C ATOM 917 OE1 GLN A 58 1.240 -10.817 8.937 1.00 62.43 O ATOM 918 NE2 GLN A 58 1.699 -12.625 7.724 1.00 22.15 N ATOM 0 H GLN A 58 -2.517 -9.124 7.409 1.00 35.43 H new ATOM 0 HA GLN A 58 0.422 -8.981 6.942 1.00 71.13 H new ATOM 0 HB2 GLN A 58 -1.647 -10.946 5.825 1.00 63.32 H new ATOM 0 HB3 GLN A 58 0.081 -10.999 5.541 1.00 63.32 H new ATOM 0 HG2 GLN A 58 -1.217 -11.359 8.271 1.00 64.25 H new ATOM 0 HG3 GLN A 58 -0.760 -12.680 7.214 1.00 64.25 H new ATOM 0 HE21 GLN A 58 1.385 -13.303 7.029 1.00 22.15 H new ATOM 0 HE22 GLN A 58 2.634 -12.701 8.125 1.00 22.15 H new ATOM 927 N ILE A 59 0.129 -8.413 4.387 1.00 62.14 N ATOM 928 CA ILE A 59 -0.026 -7.847 3.026 1.00 61.40 C ATOM 929 C ILE A 59 0.550 -8.821 1.989 1.00 74.23 C ATOM 930 O ILE A 59 1.265 -9.770 2.346 1.00 21.34 O ATOM 931 CB ILE A 59 0.670 -6.439 2.851 1.00 42.53 C ATOM 932 CG1 ILE A 59 2.208 -6.519 3.121 1.00 71.12 C ATOM 933 CG2 ILE A 59 0.005 -5.363 3.735 1.00 21.21 C ATOM 934 CD1 ILE A 59 2.976 -5.259 2.755 1.00 41.31 C ATOM 0 H ILE A 59 1.051 -8.815 4.557 1.00 62.14 H new ATOM 0 HA ILE A 59 -1.095 -7.701 2.873 1.00 61.40 H new ATOM 0 HB ILE A 59 0.534 -6.142 1.811 1.00 42.53 H new ATOM 0 HG12 ILE A 59 2.368 -6.734 4.178 1.00 71.12 H new ATOM 0 HG13 ILE A 59 2.620 -7.357 2.559 1.00 71.12 H new ATOM 0 HG21 ILE A 59 0.510 -4.408 3.588 1.00 21.21 H new ATOM 0 HG22 ILE A 59 -1.045 -5.264 3.460 1.00 21.21 H new ATOM 0 HG23 ILE A 59 0.080 -5.656 4.782 1.00 21.21 H new ATOM 0 HD11 ILE A 59 4.034 -5.401 2.974 1.00 41.31 H new ATOM 0 HD12 ILE A 59 2.850 -5.052 1.692 1.00 41.31 H new ATOM 0 HD13 ILE A 59 2.595 -4.419 3.336 1.00 41.31 H new ATOM 946 N GLN A 60 0.248 -8.565 0.702 1.00 24.54 N ATOM 947 CA GLN A 60 0.749 -9.364 -0.433 1.00 21.11 C ATOM 948 C GLN A 60 1.244 -8.442 -1.551 1.00 31.23 C ATOM 949 O GLN A 60 0.449 -7.733 -2.163 1.00 75.40 O ATOM 950 CB GLN A 60 -0.359 -10.320 -0.967 1.00 74.51 C ATOM 951 CG GLN A 60 -0.581 -11.576 -0.108 1.00 11.32 C ATOM 952 CD GLN A 60 0.612 -12.535 -0.102 1.00 2.34 C ATOM 953 OE1 GLN A 60 0.707 -13.432 -0.939 1.00 23.14 O ATOM 954 NE2 GLN A 60 1.529 -12.365 0.845 1.00 0.12 N ATOM 0 H GLN A 60 -0.355 -7.793 0.418 1.00 24.54 H new ATOM 0 HA GLN A 60 1.584 -9.972 -0.084 1.00 21.11 H new ATOM 0 HB2 GLN A 60 -1.297 -9.769 -1.033 1.00 74.51 H new ATOM 0 HB3 GLN A 60 -0.099 -10.628 -1.980 1.00 74.51 H new ATOM 0 HG2 GLN A 60 -0.797 -11.272 0.916 1.00 11.32 H new ATOM 0 HG3 GLN A 60 -1.460 -12.106 -0.475 1.00 11.32 H new ATOM 0 HE21 GLN A 60 1.425 -11.613 1.526 1.00 0.12 H new ATOM 0 HE22 GLN A 60 2.337 -12.986 0.890 1.00 0.12 H new ATOM 963 N LYS A 61 2.563 -8.458 -1.800 1.00 44.54 N ATOM 964 CA LYS A 61 3.171 -7.718 -2.916 1.00 53.22 C ATOM 965 C LYS A 61 3.029 -8.551 -4.198 1.00 23.24 C ATOM 966 O LYS A 61 3.549 -9.667 -4.283 1.00 52.54 O ATOM 967 CB LYS A 61 4.668 -7.408 -2.649 1.00 73.24 C ATOM 968 CG LYS A 61 4.927 -6.475 -1.445 1.00 64.24 C ATOM 969 CD LYS A 61 6.427 -6.132 -1.279 1.00 41.31 C ATOM 970 CE LYS A 61 6.695 -5.210 -0.083 1.00 22.14 C ATOM 971 NZ LYS A 61 8.149 -4.948 0.091 1.00 23.34 N ATOM 0 H LYS A 61 3.234 -8.981 -1.237 1.00 44.54 H new ATOM 0 HA LYS A 61 2.654 -6.765 -3.024 1.00 53.22 H new ATOM 0 HB2 LYS A 61 5.196 -8.347 -2.484 1.00 73.24 H new ATOM 0 HB3 LYS A 61 5.096 -6.954 -3.543 1.00 73.24 H new ATOM 0 HG2 LYS A 61 4.358 -5.554 -1.573 1.00 64.24 H new ATOM 0 HG3 LYS A 61 4.563 -6.951 -0.535 1.00 64.24 H new ATOM 0 HD2 LYS A 61 6.995 -7.054 -1.156 1.00 41.31 H new ATOM 0 HD3 LYS A 61 6.789 -5.654 -2.189 1.00 41.31 H new ATOM 0 HE2 LYS A 61 6.169 -4.266 -0.225 1.00 22.14 H new ATOM 0 HE3 LYS A 61 6.295 -5.664 0.824 1.00 22.14 H new ATOM 0 HZ1 LYS A 61 8.292 -4.308 0.898 1.00 23.34 H new ATOM 0 HZ2 LYS A 61 8.645 -5.845 0.268 1.00 23.34 H new ATOM 0 HZ3 LYS A 61 8.528 -4.508 -0.772 1.00 23.34 H new ATOM 985 N GLN A 62 2.308 -8.010 -5.165 1.00 73.43 N ATOM 986 CA GLN A 62 2.072 -8.627 -6.463 1.00 71.10 C ATOM 987 C GLN A 62 2.436 -7.599 -7.536 1.00 2.14 C ATOM 988 O GLN A 62 1.683 -6.652 -7.795 1.00 60.43 O ATOM 989 CB GLN A 62 0.584 -9.061 -6.572 1.00 74.23 C ATOM 990 CG GLN A 62 0.230 -9.913 -7.803 1.00 34.35 C ATOM 991 CD GLN A 62 1.027 -11.216 -7.897 1.00 75.11 C ATOM 992 OE1 GLN A 62 2.074 -11.275 -8.545 1.00 75.34 O ATOM 993 NE2 GLN A 62 0.563 -12.260 -7.219 1.00 33.00 N ATOM 0 H GLN A 62 1.856 -7.101 -5.067 1.00 73.43 H new ATOM 0 HA GLN A 62 2.682 -9.520 -6.594 1.00 71.10 H new ATOM 0 HB2 GLN A 62 0.321 -9.623 -5.676 1.00 74.23 H new ATOM 0 HB3 GLN A 62 -0.038 -8.166 -6.581 1.00 74.23 H new ATOM 0 HG2 GLN A 62 -0.834 -10.149 -7.777 1.00 34.35 H new ATOM 0 HG3 GLN A 62 0.404 -9.325 -8.704 1.00 34.35 H new ATOM 0 HE21 GLN A 62 -0.307 -12.180 -6.692 1.00 33.00 H new ATOM 0 HE22 GLN A 62 1.076 -13.141 -7.225 1.00 33.00 H new ATOM 1002 N TRP A 63 3.637 -7.748 -8.093 1.00 42.13 N ATOM 1003 CA TRP A 63 4.126 -6.898 -9.178 1.00 61.10 C ATOM 1004 C TRP A 63 3.395 -7.290 -10.472 1.00 12.13 C ATOM 1005 O TRP A 63 3.344 -8.476 -10.820 1.00 63.15 O ATOM 1006 CB TRP A 63 5.655 -7.057 -9.334 1.00 42.44 C ATOM 1007 CG TRP A 63 6.447 -6.631 -8.109 1.00 53.20 C ATOM 1008 CD1 TRP A 63 6.574 -7.318 -6.926 1.00 40.31 C ATOM 1009 CD2 TRP A 63 7.215 -5.424 -7.949 1.00 14.42 C ATOM 1010 NE1 TRP A 63 7.378 -6.622 -6.061 1.00 13.21 N ATOM 1011 CE2 TRP A 63 7.782 -5.459 -6.661 1.00 54.41 C ATOM 1012 CE3 TRP A 63 7.479 -4.321 -8.771 1.00 55.34 C ATOM 1013 CZ2 TRP A 63 8.598 -4.439 -6.176 1.00 11.14 C ATOM 1014 CZ3 TRP A 63 8.287 -3.306 -8.287 1.00 33.14 C ATOM 1015 CH2 TRP A 63 8.839 -3.375 -7.001 1.00 15.24 C ATOM 0 H TRP A 63 4.302 -8.465 -7.803 1.00 42.13 H new ATOM 0 HA TRP A 63 3.926 -5.850 -8.954 1.00 61.10 H new ATOM 0 HB2 TRP A 63 5.881 -8.100 -9.556 1.00 42.44 H new ATOM 0 HB3 TRP A 63 5.986 -6.470 -10.191 1.00 42.44 H new ATOM 0 HD1 TRP A 63 6.108 -8.268 -6.709 1.00 40.31 H new ATOM 0 HE1 TRP A 63 7.634 -6.922 -5.121 1.00 13.21 H new ATOM 0 HE3 TRP A 63 7.060 -4.263 -9.765 1.00 55.34 H new ATOM 0 HZ2 TRP A 63 9.025 -4.487 -5.185 1.00 11.14 H new ATOM 0 HZ3 TRP A 63 8.495 -2.449 -8.910 1.00 33.14 H new ATOM 0 HH2 TRP A 63 9.469 -2.570 -6.653 1.00 15.24 H new ATOM 1026 N GLN A 64 2.821 -6.296 -11.148 1.00 14.13 N ATOM 1027 CA GLN A 64 2.027 -6.464 -12.371 1.00 1.32 C ATOM 1028 C GLN A 64 2.556 -5.461 -13.412 1.00 32.01 C ATOM 1029 O GLN A 64 2.217 -4.276 -13.349 1.00 1.35 O ATOM 1030 CB GLN A 64 0.513 -6.204 -12.052 1.00 12.02 C ATOM 1031 CG GLN A 64 -0.440 -6.216 -13.276 1.00 12.32 C ATOM 1032 CD GLN A 64 -0.662 -7.599 -13.898 1.00 41.21 C ATOM 1033 OE1 GLN A 64 0.080 -8.039 -14.775 1.00 74.53 O ATOM 1034 NE2 GLN A 64 -1.709 -8.288 -13.472 1.00 65.05 N ATOM 0 H GLN A 64 2.896 -5.322 -10.854 1.00 14.13 H new ATOM 0 HA GLN A 64 2.114 -7.477 -12.763 1.00 1.32 H new ATOM 0 HB2 GLN A 64 0.174 -6.959 -11.343 1.00 12.02 H new ATOM 0 HB3 GLN A 64 0.425 -5.238 -11.555 1.00 12.02 H new ATOM 0 HG2 GLN A 64 -1.405 -5.809 -12.973 1.00 12.32 H new ATOM 0 HG3 GLN A 64 -0.039 -5.549 -14.039 1.00 12.32 H new ATOM 0 HE21 GLN A 64 -2.311 -7.903 -12.744 1.00 65.05 H new ATOM 0 HE22 GLN A 64 -1.914 -9.204 -13.872 1.00 65.05 H new ATOM 1043 N GLY A 65 3.459 -5.934 -14.300 1.00 23.31 N ATOM 1044 CA GLY A 65 4.017 -5.122 -15.393 1.00 25.43 C ATOM 1045 C GLY A 65 4.738 -3.866 -14.908 1.00 34.42 C ATOM 1046 O GLY A 65 4.346 -2.752 -15.270 1.00 63.32 O ATOM 0 H GLY A 65 3.818 -6.888 -14.275 1.00 23.31 H new ATOM 0 HA2 GLY A 65 4.713 -5.731 -15.970 1.00 25.43 H new ATOM 0 HA3 GLY A 65 3.212 -4.832 -16.068 1.00 25.43 H new ATOM 1050 N ASN A 66 5.749 -4.063 -14.027 1.00 52.44 N ATOM 1051 CA ASN A 66 6.613 -2.984 -13.461 1.00 2.12 C ATOM 1052 C ASN A 66 5.856 -2.056 -12.478 1.00 32.50 C ATOM 1053 O ASN A 66 6.409 -1.046 -12.026 1.00 72.03 O ATOM 1054 CB ASN A 66 7.319 -2.149 -14.586 1.00 42.02 C ATOM 1055 CG ASN A 66 8.312 -2.953 -15.438 1.00 60.51 C ATOM 1056 OD1 ASN A 66 8.191 -4.166 -15.605 1.00 30.34 O ATOM 1057 ND2 ASN A 66 9.306 -2.283 -15.991 1.00 72.00 N ATOM 0 H ASN A 66 5.996 -4.990 -13.680 1.00 52.44 H new ATOM 0 HA ASN A 66 7.384 -3.495 -12.884 1.00 2.12 H new ATOM 0 HB2 ASN A 66 6.557 -1.724 -15.240 1.00 42.02 H new ATOM 0 HB3 ASN A 66 7.846 -1.313 -14.126 1.00 42.02 H new ATOM 0 HD21 ASN A 66 9.991 -2.771 -16.569 1.00 72.00 H new ATOM 0 HD22 ASN A 66 9.389 -1.278 -15.841 1.00 72.00 H new ATOM 1064 N LYS A 67 4.603 -2.421 -12.121 1.00 22.32 N ATOM 1065 CA LYS A 67 3.751 -1.640 -11.188 1.00 61.24 C ATOM 1066 C LYS A 67 3.548 -2.476 -9.920 1.00 42.04 C ATOM 1067 O LYS A 67 3.112 -3.626 -10.004 1.00 5.04 O ATOM 1068 CB LYS A 67 2.370 -1.302 -11.833 1.00 14.34 C ATOM 1069 CG LYS A 67 2.450 -0.670 -13.242 1.00 1.35 C ATOM 1070 CD LYS A 67 3.214 0.677 -13.273 1.00 32.32 C ATOM 1071 CE LYS A 67 3.361 1.235 -14.697 1.00 2.43 C ATOM 1072 NZ LYS A 67 2.041 1.506 -15.329 1.00 14.31 N ATOM 0 H LYS A 67 4.152 -3.266 -12.471 1.00 22.32 H new ATOM 0 HA LYS A 67 4.241 -0.695 -10.952 1.00 61.24 H new ATOM 0 HB2 LYS A 67 1.779 -2.216 -11.893 1.00 14.34 H new ATOM 0 HB3 LYS A 67 1.834 -0.619 -11.174 1.00 14.34 H new ATOM 0 HG2 LYS A 67 2.938 -1.371 -13.919 1.00 1.35 H new ATOM 0 HG3 LYS A 67 1.439 -0.514 -13.619 1.00 1.35 H new ATOM 0 HD2 LYS A 67 2.689 1.404 -12.653 1.00 32.32 H new ATOM 0 HD3 LYS A 67 4.203 0.541 -12.835 1.00 32.32 H new ATOM 0 HE2 LYS A 67 3.944 2.155 -14.667 1.00 2.43 H new ATOM 0 HE3 LYS A 67 3.917 0.525 -15.309 1.00 2.43 H new ATOM 0 HZ1 LYS A 67 2.168 2.148 -16.137 1.00 14.31 H new ATOM 0 HZ2 LYS A 67 1.624 0.612 -15.659 1.00 14.31 H new ATOM 0 HZ3 LYS A 67 1.407 1.948 -14.633 1.00 14.31 H new ATOM 1086 N LEU A 68 3.865 -1.913 -8.753 1.00 33.41 N ATOM 1087 CA LEU A 68 3.785 -2.640 -7.476 1.00 21.44 C ATOM 1088 C LEU A 68 2.354 -2.562 -6.911 1.00 14.42 C ATOM 1089 O LEU A 68 1.920 -1.500 -6.460 1.00 63.33 O ATOM 1090 CB LEU A 68 4.796 -2.046 -6.463 1.00 22.13 C ATOM 1091 CG LEU A 68 4.663 -2.551 -4.989 1.00 40.31 C ATOM 1092 CD1 LEU A 68 4.958 -4.063 -4.850 1.00 53.33 C ATOM 1093 CD2 LEU A 68 5.534 -1.711 -4.056 1.00 72.12 C ATOM 0 H LEU A 68 4.183 -0.948 -8.662 1.00 33.41 H new ATOM 0 HA LEU A 68 4.036 -3.687 -7.648 1.00 21.44 H new ATOM 0 HB2 LEU A 68 5.804 -2.268 -6.813 1.00 22.13 H new ATOM 0 HB3 LEU A 68 4.689 -0.961 -6.466 1.00 22.13 H new ATOM 0 HG LEU A 68 3.622 -2.422 -4.691 1.00 40.31 H new ATOM 0 HD11 LEU A 68 4.851 -4.360 -3.807 1.00 53.33 H new ATOM 0 HD12 LEU A 68 4.255 -4.629 -5.462 1.00 53.33 H new ATOM 0 HD13 LEU A 68 5.976 -4.267 -5.183 1.00 53.33 H new ATOM 0 HD21 LEU A 68 5.430 -2.076 -3.034 1.00 72.12 H new ATOM 0 HD22 LEU A 68 6.577 -1.788 -4.364 1.00 72.12 H new ATOM 0 HD23 LEU A 68 5.218 -0.669 -4.103 1.00 72.12 H new ATOM 1105 N ARG A 69 1.622 -3.685 -6.947 1.00 53.43 N ATOM 1106 CA ARG A 69 0.296 -3.786 -6.323 1.00 44.14 C ATOM 1107 C ARG A 69 0.426 -4.489 -4.970 1.00 33.24 C ATOM 1108 O ARG A 69 0.736 -5.667 -4.916 1.00 34.33 O ATOM 1109 CB ARG A 69 -0.685 -4.560 -7.244 1.00 10.53 C ATOM 1110 CG ARG A 69 -2.078 -4.793 -6.628 1.00 14.43 C ATOM 1111 CD ARG A 69 -3.031 -5.507 -7.583 1.00 23.23 C ATOM 1112 NE ARG A 69 -2.562 -6.843 -7.996 1.00 3.54 N ATOM 1113 CZ ARG A 69 -3.355 -7.918 -8.178 1.00 45.31 C ATOM 1114 NH1 ARG A 69 -4.670 -7.854 -7.968 1.00 51.45 N ATOM 1115 NH2 ARG A 69 -2.837 -9.044 -8.627 1.00 60.53 N ATOM 0 H ARG A 69 1.930 -4.542 -7.406 1.00 53.43 H new ATOM 0 HA ARG A 69 -0.105 -2.784 -6.172 1.00 44.14 H new ATOM 0 HB2 ARG A 69 -0.800 -4.009 -8.178 1.00 10.53 H new ATOM 0 HB3 ARG A 69 -0.245 -5.525 -7.495 1.00 10.53 H new ATOM 0 HG2 ARG A 69 -1.974 -5.382 -5.717 1.00 14.43 H new ATOM 0 HG3 ARG A 69 -2.509 -3.834 -6.340 1.00 14.43 H new ATOM 0 HD2 ARG A 69 -4.005 -5.605 -7.105 1.00 23.23 H new ATOM 0 HD3 ARG A 69 -3.172 -4.890 -8.471 1.00 23.23 H new ATOM 0 HE ARG A 69 -1.562 -6.963 -8.156 1.00 3.54 H new ATOM 0 HH11 ARG A 69 -5.096 -6.979 -7.663 1.00 51.45 H new ATOM 0 HH12 ARG A 69 -5.250 -8.680 -8.112 1.00 51.45 H new ATOM 0 HH21 ARG A 69 -1.840 -9.099 -8.835 1.00 60.53 H new ATOM 0 HH22 ARG A 69 -3.433 -9.860 -8.766 1.00 60.53 H new ATOM 1129 N ILE A 70 0.189 -3.758 -3.877 1.00 40.40 N ATOM 1130 CA ILE A 70 0.167 -4.339 -2.527 1.00 25.03 C ATOM 1131 C ILE A 70 -1.298 -4.491 -2.092 1.00 10.33 C ATOM 1132 O ILE A 70 -2.050 -3.509 -2.075 1.00 64.43 O ATOM 1133 CB ILE A 70 0.972 -3.471 -1.480 1.00 31.35 C ATOM 1134 CG1 ILE A 70 2.476 -3.353 -1.909 1.00 61.51 C ATOM 1135 CG2 ILE A 70 0.847 -4.064 -0.056 1.00 51.31 C ATOM 1136 CD1 ILE A 70 3.379 -2.603 -0.938 1.00 3.33 C ATOM 0 H ILE A 70 0.008 -2.754 -3.899 1.00 40.40 H new ATOM 0 HA ILE A 70 0.661 -5.310 -2.558 1.00 25.03 H new ATOM 0 HB ILE A 70 0.541 -2.470 -1.461 1.00 31.35 H new ATOM 0 HG12 ILE A 70 2.876 -4.357 -2.047 1.00 61.51 H new ATOM 0 HG13 ILE A 70 2.521 -2.856 -2.878 1.00 61.51 H new ATOM 0 HG21 ILE A 70 1.410 -3.448 0.645 1.00 51.31 H new ATOM 0 HG22 ILE A 70 -0.202 -4.083 0.239 1.00 51.31 H new ATOM 0 HG23 ILE A 70 1.245 -5.079 -0.048 1.00 51.31 H new ATOM 0 HD11 ILE A 70 4.396 -2.580 -1.330 1.00 3.33 H new ATOM 0 HD12 ILE A 70 3.014 -1.583 -0.815 1.00 3.33 H new ATOM 0 HD13 ILE A 70 3.374 -3.109 0.028 1.00 3.33 H new ATOM 1148 N ARG A 71 -1.707 -5.728 -1.767 1.00 42.33 N ATOM 1149 CA ARG A 71 -3.043 -6.004 -1.244 1.00 44.24 C ATOM 1150 C ARG A 71 -2.974 -5.995 0.287 1.00 11.34 C ATOM 1151 O ARG A 71 -2.231 -6.767 0.903 1.00 73.43 O ATOM 1152 CB ARG A 71 -3.592 -7.370 -1.737 1.00 51.21 C ATOM 1153 CG ARG A 71 -5.032 -7.680 -1.245 1.00 60.42 C ATOM 1154 CD ARG A 71 -5.509 -9.100 -1.595 1.00 74.21 C ATOM 1155 NE ARG A 71 -6.878 -9.363 -1.100 1.00 44.13 N ATOM 1156 CZ ARG A 71 -7.195 -9.838 0.120 1.00 14.12 C ATOM 1157 NH1 ARG A 71 -6.262 -10.124 1.019 1.00 52.31 N ATOM 1158 NH2 ARG A 71 -8.463 -10.044 0.431 1.00 3.34 N ATOM 0 H ARG A 71 -1.120 -6.557 -1.861 1.00 42.33 H new ATOM 0 HA ARG A 71 -3.724 -5.234 -1.607 1.00 44.24 H new ATOM 0 HB2 ARG A 71 -3.579 -7.384 -2.827 1.00 51.21 H new ATOM 0 HB3 ARG A 71 -2.924 -8.163 -1.400 1.00 51.21 H new ATOM 0 HG2 ARG A 71 -5.074 -7.548 -0.164 1.00 60.42 H new ATOM 0 HG3 ARG A 71 -5.720 -6.956 -1.682 1.00 60.42 H new ATOM 0 HD2 ARG A 71 -5.482 -9.235 -2.676 1.00 74.21 H new ATOM 0 HD3 ARG A 71 -4.822 -9.829 -1.166 1.00 74.21 H new ATOM 0 HE ARG A 71 -7.649 -9.168 -1.738 1.00 44.13 H new ATOM 0 HH11 ARG A 71 -5.277 -9.985 0.794 1.00 52.31 H new ATOM 0 HH12 ARG A 71 -6.530 -10.482 1.936 1.00 52.31 H new ATOM 0 HH21 ARG A 71 -9.194 -9.843 -0.251 1.00 3.34 H new ATOM 0 HH22 ARG A 71 -8.710 -10.404 1.353 1.00 3.34 H new ATOM 1172 N LEU A 72 -3.776 -5.115 0.865 1.00 32.22 N ATOM 1173 CA LEU A 72 -3.890 -4.894 2.306 1.00 3.31 C ATOM 1174 C LEU A 72 -5.150 -5.627 2.794 1.00 70.44 C ATOM 1175 O LEU A 72 -6.161 -5.664 2.076 1.00 22.03 O ATOM 1176 CB LEU A 72 -4.040 -3.369 2.573 1.00 50.24 C ATOM 1177 CG LEU A 72 -3.073 -2.417 1.800 1.00 12.20 C ATOM 1178 CD1 LEU A 72 -3.557 -0.964 1.897 1.00 33.33 C ATOM 1179 CD2 LEU A 72 -1.622 -2.551 2.294 1.00 31.24 C ATOM 0 H LEU A 72 -4.392 -4.508 0.325 1.00 32.22 H new ATOM 0 HA LEU A 72 -3.008 -5.265 2.828 1.00 3.31 H new ATOM 0 HB2 LEU A 72 -5.063 -3.082 2.332 1.00 50.24 H new ATOM 0 HB3 LEU A 72 -3.904 -3.197 3.641 1.00 50.24 H new ATOM 0 HG LEU A 72 -3.083 -2.715 0.752 1.00 12.20 H new ATOM 0 HD11 LEU A 72 -2.871 -0.315 1.353 1.00 33.33 H new ATOM 0 HD12 LEU A 72 -4.554 -0.883 1.464 1.00 33.33 H new ATOM 0 HD13 LEU A 72 -3.590 -0.661 2.943 1.00 33.33 H new ATOM 0 HD21 LEU A 72 -0.982 -1.872 1.731 1.00 31.24 H new ATOM 0 HD22 LEU A 72 -1.574 -2.300 3.354 1.00 31.24 H new ATOM 0 HD23 LEU A 72 -1.281 -3.576 2.148 1.00 31.24 H new ATOM 1191 N LYS A 73 -5.099 -6.229 3.985 1.00 33.44 N ATOM 1192 CA LYS A 73 -6.291 -6.836 4.612 1.00 1.04 C ATOM 1193 C LYS A 73 -6.580 -6.166 5.959 1.00 43.31 C ATOM 1194 O LYS A 73 -5.655 -5.692 6.634 1.00 0.43 O ATOM 1195 CB LYS A 73 -6.082 -8.368 4.752 1.00 4.45 C ATOM 1196 CG LYS A 73 -4.901 -8.793 5.658 1.00 14.30 C ATOM 1197 CD LYS A 73 -4.410 -10.231 5.372 1.00 33.03 C ATOM 1198 CE LYS A 73 -3.821 -10.387 3.960 1.00 53.41 C ATOM 1199 NZ LYS A 73 -3.439 -11.793 3.652 1.00 31.20 N ATOM 0 H LYS A 73 -4.247 -6.313 4.540 1.00 33.44 H new ATOM 0 HA LYS A 73 -7.164 -6.675 3.980 1.00 1.04 H new ATOM 0 HB2 LYS A 73 -6.998 -8.809 5.146 1.00 4.45 H new ATOM 0 HB3 LYS A 73 -5.927 -8.789 3.759 1.00 4.45 H new ATOM 0 HG2 LYS A 73 -4.074 -8.097 5.518 1.00 14.30 H new ATOM 0 HG3 LYS A 73 -5.206 -8.719 6.702 1.00 14.30 H new ATOM 0 HD2 LYS A 73 -3.655 -10.506 6.109 1.00 33.03 H new ATOM 0 HD3 LYS A 73 -5.241 -10.925 5.493 1.00 33.03 H new ATOM 0 HE2 LYS A 73 -4.550 -10.043 3.226 1.00 53.41 H new ATOM 0 HE3 LYS A 73 -2.944 -9.746 3.863 1.00 53.41 H new ATOM 0 HZ1 LYS A 73 -3.048 -11.844 2.690 1.00 31.20 H new ATOM 0 HZ2 LYS A 73 -2.723 -12.116 4.334 1.00 31.20 H new ATOM 0 HZ3 LYS A 73 -4.279 -12.403 3.717 1.00 31.20 H new ATOM 1213 N GLY A 74 -7.873 -6.126 6.341 1.00 35.43 N ATOM 1214 CA GLY A 74 -8.303 -5.510 7.600 1.00 75.21 C ATOM 1215 C GLY A 74 -8.146 -6.463 8.777 1.00 33.20 C ATOM 1216 O GLY A 74 -7.999 -6.025 9.925 1.00 70.43 O ATOM 0 H GLY A 74 -8.636 -6.517 5.788 1.00 35.43 H new ATOM 0 HA2 GLY A 74 -7.719 -4.608 7.782 1.00 75.21 H new ATOM 0 HA3 GLY A 74 -9.346 -5.203 7.517 1.00 75.21 H new ATOM 1220 N SER A 75 -8.174 -7.774 8.473 1.00 34.21 N ATOM 1221 CA SER A 75 -8.015 -8.851 9.462 1.00 22.41 C ATOM 1222 C SER A 75 -7.631 -10.165 8.747 1.00 22.15 C ATOM 1223 O SER A 75 -7.486 -10.200 7.516 1.00 32.34 O ATOM 1224 CB SER A 75 -9.323 -9.012 10.294 1.00 61.41 C ATOM 1225 OG SER A 75 -9.175 -9.941 11.364 1.00 15.43 O ATOM 0 H SER A 75 -8.309 -8.117 7.522 1.00 34.21 H new ATOM 0 HA SER A 75 -7.212 -8.596 10.153 1.00 22.41 H new ATOM 0 HB2 SER A 75 -9.616 -8.042 10.696 1.00 61.41 H new ATOM 0 HB3 SER A 75 -10.129 -9.342 9.639 1.00 61.41 H new ATOM 0 HG SER A 75 -10.019 -10.008 11.858 1.00 15.43 H new ATOM 1231 N LEU A 76 -7.451 -11.227 9.541 1.00 74.11 N ATOM 1232 CA LEU A 76 -7.076 -12.582 9.077 1.00 21.14 C ATOM 1233 C LEU A 76 -8.110 -13.609 9.587 1.00 1.41 C ATOM 1234 O LEU A 76 -9.129 -13.224 10.179 1.00 21.01 O ATOM 1235 CB LEU A 76 -5.645 -12.894 9.621 1.00 33.12 C ATOM 1236 CG LEU A 76 -4.474 -12.151 8.908 1.00 72.31 C ATOM 1237 CD1 LEU A 76 -3.275 -11.938 9.851 1.00 24.22 C ATOM 1238 CD2 LEU A 76 -4.051 -12.916 7.635 1.00 74.54 C ATOM 0 H LEU A 76 -7.564 -11.174 10.553 1.00 74.11 H new ATOM 0 HA LEU A 76 -7.068 -12.637 7.988 1.00 21.14 H new ATOM 0 HB2 LEU A 76 -5.617 -12.644 10.682 1.00 33.12 H new ATOM 0 HB3 LEU A 76 -5.472 -13.967 9.541 1.00 33.12 H new ATOM 0 HG LEU A 76 -4.831 -11.163 8.617 1.00 72.31 H new ATOM 0 HD11 LEU A 76 -2.480 -11.417 9.317 1.00 24.22 H new ATOM 0 HD12 LEU A 76 -3.588 -11.341 10.708 1.00 24.22 H new ATOM 0 HD13 LEU A 76 -2.908 -12.904 10.196 1.00 24.22 H new ATOM 0 HD21 LEU A 76 -3.233 -12.386 7.147 1.00 74.54 H new ATOM 0 HD22 LEU A 76 -3.723 -13.920 7.906 1.00 74.54 H new ATOM 0 HD23 LEU A 76 -4.898 -12.983 6.952 1.00 74.54 H new ATOM 1250 N GLU A 77 -7.844 -14.916 9.350 1.00 71.41 N ATOM 1251 CA GLU A 77 -8.602 -16.017 10.008 1.00 10.04 C ATOM 1252 C GLU A 77 -8.309 -15.960 11.518 1.00 1.14 C ATOM 1253 O GLU A 77 -9.189 -16.101 12.365 1.00 44.32 O ATOM 1254 CB GLU A 77 -8.187 -17.417 9.446 1.00 50.31 C ATOM 1255 CG GLU A 77 -8.172 -17.544 7.906 1.00 63.41 C ATOM 1256 CD GLU A 77 -9.493 -17.144 7.223 1.00 43.43 C ATOM 1257 OE1 GLU A 77 -10.487 -17.883 7.342 1.00 31.25 O ATOM 1258 OE2 GLU A 77 -9.543 -16.079 6.576 1.00 31.20 O ATOM 0 H GLU A 77 -7.115 -15.236 8.712 1.00 71.41 H new ATOM 0 HA GLU A 77 -9.666 -15.886 9.809 1.00 10.04 H new ATOM 0 HB2 GLU A 77 -7.193 -17.658 9.822 1.00 50.31 H new ATOM 0 HB3 GLU A 77 -8.870 -18.166 9.847 1.00 50.31 H new ATOM 0 HG2 GLU A 77 -7.369 -16.922 7.510 1.00 63.41 H new ATOM 0 HG3 GLU A 77 -7.937 -18.575 7.641 1.00 63.41 H new ATOM 1265 N HIS A 78 -7.025 -15.734 11.789 1.00 52.32 N ATOM 1266 CA HIS A 78 -6.460 -15.474 13.114 1.00 41.13 C ATOM 1267 C HIS A 78 -5.094 -14.805 12.877 1.00 65.14 C ATOM 1268 O HIS A 78 -4.405 -15.162 11.903 1.00 11.15 O ATOM 1269 CB HIS A 78 -6.309 -16.781 13.947 1.00 12.35 C ATOM 1270 CG HIS A 78 -5.406 -17.814 13.312 1.00 70.13 C ATOM 1271 ND1 HIS A 78 -4.125 -18.068 13.746 1.00 1.24 N ATOM 1272 CD2 HIS A 78 -5.605 -18.640 12.258 1.00 22.25 C ATOM 1273 CE1 HIS A 78 -3.582 -18.996 12.989 1.00 52.12 C ATOM 1274 NE2 HIS A 78 -4.460 -19.363 12.082 1.00 73.11 N ATOM 0 H HIS A 78 -6.315 -15.727 11.056 1.00 52.32 H new ATOM 0 HA HIS A 78 -7.122 -14.830 13.694 1.00 41.13 H new ATOM 0 HB2 HIS A 78 -5.918 -16.528 14.933 1.00 12.35 H new ATOM 0 HB3 HIS A 78 -7.295 -17.219 14.098 1.00 12.35 H new ATOM 0 HD2 HIS A 78 -6.505 -18.714 11.665 1.00 22.25 H new ATOM 0 HE1 HIS A 78 -2.582 -19.391 13.095 1.00 52.12 H new ATOM 0 HE2 HIS A 78 -4.310 -20.072 11.364 1.00 73.11 H new ATOM 1283 N HIS A 79 -4.710 -13.846 13.739 1.00 60.42 N ATOM 1284 CA HIS A 79 -3.447 -13.091 13.583 1.00 61.43 C ATOM 1285 C HIS A 79 -2.250 -14.062 13.683 1.00 64.42 C ATOM 1286 O HIS A 79 -1.965 -14.589 14.764 1.00 24.11 O ATOM 1287 CB HIS A 79 -3.354 -11.952 14.629 1.00 75.54 C ATOM 1288 CG HIS A 79 -4.451 -10.923 14.504 1.00 61.12 C ATOM 1289 ND1 HIS A 79 -5.348 -10.645 15.515 1.00 2.42 N ATOM 1290 CD2 HIS A 79 -4.778 -10.091 13.484 1.00 12.31 C ATOM 1291 CE1 HIS A 79 -6.173 -9.695 15.126 1.00 41.53 C ATOM 1292 NE2 HIS A 79 -5.844 -9.341 13.899 1.00 2.12 N ATOM 0 H HIS A 79 -5.257 -13.573 14.555 1.00 60.42 H new ATOM 0 HA HIS A 79 -3.425 -12.621 12.600 1.00 61.43 H new ATOM 0 HB2 HIS A 79 -3.386 -12.385 15.629 1.00 75.54 H new ATOM 0 HB3 HIS A 79 -2.389 -11.456 14.528 1.00 75.54 H new ATOM 0 HD2 HIS A 79 -4.288 -10.032 12.523 1.00 12.31 H new ATOM 0 HE1 HIS A 79 -6.980 -9.278 15.711 1.00 41.53 H new ATOM 0 HE2 HIS A 79 -6.311 -8.622 13.347 1.00 2.12 H new ATOM 1301 N HIS A 80 -1.611 -14.317 12.511 1.00 43.43 N ATOM 1302 CA HIS A 80 -0.601 -15.381 12.307 1.00 0.41 C ATOM 1303 C HIS A 80 0.708 -15.083 13.085 1.00 44.53 C ATOM 1304 O HIS A 80 1.684 -14.568 12.519 1.00 45.11 O ATOM 1305 CB HIS A 80 -0.341 -15.551 10.778 1.00 43.33 C ATOM 1306 CG HIS A 80 0.632 -16.648 10.403 1.00 32.23 C ATOM 1307 ND1 HIS A 80 1.797 -16.408 9.706 1.00 11.15 N ATOM 1308 CD2 HIS A 80 0.606 -17.986 10.623 1.00 64.22 C ATOM 1309 CE1 HIS A 80 2.441 -17.540 9.517 1.00 55.23 C ATOM 1310 NE2 HIS A 80 1.743 -18.511 10.065 1.00 25.13 N ATOM 0 H HIS A 80 -1.790 -13.775 11.666 1.00 43.43 H new ATOM 0 HA HIS A 80 -0.986 -16.320 12.706 1.00 0.41 H new ATOM 0 HB2 HIS A 80 -1.293 -15.748 10.285 1.00 43.33 H new ATOM 0 HB3 HIS A 80 0.033 -14.606 10.383 1.00 43.33 H new ATOM 0 HD2 HIS A 80 -0.166 -18.535 11.141 1.00 64.22 H new ATOM 0 HE1 HIS A 80 3.382 -17.653 9.000 1.00 55.23 H new ATOM 0 HE2 HIS A 80 2.006 -19.497 10.073 1.00 25.13 H new ATOM 1319 N HIS A 81 0.653 -15.376 14.405 1.00 4.13 N ATOM 1320 CA HIS A 81 1.752 -15.226 15.404 1.00 20.34 C ATOM 1321 C HIS A 81 1.220 -15.438 16.843 1.00 2.02 C ATOM 1322 O HIS A 81 1.992 -15.351 17.802 1.00 52.04 O ATOM 1323 CB HIS A 81 2.510 -13.853 15.317 1.00 41.21 C ATOM 1324 CG HIS A 81 1.635 -12.623 15.264 1.00 61.43 C ATOM 1325 ND1 HIS A 81 1.423 -11.908 14.100 1.00 2.43 N ATOM 1326 CD2 HIS A 81 0.936 -11.979 16.221 1.00 62.42 C ATOM 1327 CE1 HIS A 81 0.633 -10.888 14.354 1.00 63.40 C ATOM 1328 NE2 HIS A 81 0.325 -10.906 15.633 1.00 52.21 N ATOM 0 H HIS A 81 -0.199 -15.742 14.830 1.00 4.13 H new ATOM 0 HA HIS A 81 2.478 -16.000 15.155 1.00 20.34 H new ATOM 0 HB2 HIS A 81 3.171 -13.769 16.179 1.00 41.21 H new ATOM 0 HB3 HIS A 81 3.143 -13.864 14.430 1.00 41.21 H new ATOM 0 HD2 HIS A 81 0.871 -12.260 17.262 1.00 62.42 H new ATOM 0 HE1 HIS A 81 0.294 -10.158 13.634 1.00 63.40 H new ATOM 0 HE2 HIS A 81 -0.272 -10.230 16.109 1.00 52.21 H new ATOM 1337 N HIS A 82 -0.092 -15.730 16.978 1.00 54.10 N ATOM 1338 CA HIS A 82 -0.777 -15.873 18.280 1.00 32.42 C ATOM 1339 C HIS A 82 -0.576 -17.301 18.856 1.00 71.22 C ATOM 1340 O HIS A 82 -1.479 -18.150 18.793 1.00 55.22 O ATOM 1341 CB HIS A 82 -2.287 -15.523 18.117 1.00 42.21 C ATOM 1342 CG HIS A 82 -3.089 -15.548 19.401 1.00 54.03 C ATOM 1343 ND1 HIS A 82 -4.089 -16.471 19.657 1.00 53.12 N ATOM 1344 CD2 HIS A 82 -3.040 -14.749 20.493 1.00 40.45 C ATOM 1345 CE1 HIS A 82 -4.610 -16.234 20.844 1.00 24.14 C ATOM 1346 NE2 HIS A 82 -3.991 -15.201 21.371 1.00 73.04 N ATOM 0 H HIS A 82 -0.710 -15.874 16.179 1.00 54.10 H new ATOM 0 HA HIS A 82 -0.339 -15.177 18.995 1.00 32.42 H new ATOM 0 HB2 HIS A 82 -2.369 -14.531 17.674 1.00 42.21 H new ATOM 0 HB3 HIS A 82 -2.734 -16.225 17.413 1.00 42.21 H new ATOM 0 HD2 HIS A 82 -2.375 -13.911 20.644 1.00 40.45 H new ATOM 0 HE1 HIS A 82 -5.410 -16.794 21.306 1.00 24.14 H new ATOM 0 HE2 HIS A 82 -4.187 -14.799 22.288 1.00 73.04 H new ATOM 1355 N HIS A 83 0.653 -17.545 19.355 1.00 65.05 N ATOM 1356 CA HIS A 83 1.055 -18.775 20.079 1.00 20.03 C ATOM 1357 C HIS A 83 2.547 -18.595 20.473 1.00 64.34 C ATOM 1358 O HIS A 83 3.422 -18.746 19.591 1.00 1.22 O ATOM 1359 CB HIS A 83 0.824 -20.104 19.239 1.00 2.32 C ATOM 1360 CG HIS A 83 0.088 -21.196 19.969 1.00 61.34 C ATOM 1361 ND1 HIS A 83 0.721 -22.178 20.694 1.00 61.03 N ATOM 1362 CD2 HIS A 83 -1.237 -21.457 20.066 1.00 60.10 C ATOM 1363 CE1 HIS A 83 -0.178 -22.993 21.206 1.00 24.01 C ATOM 1364 NE2 HIS A 83 -1.373 -22.575 20.841 1.00 24.45 N ATOM 1365 OXT HIS A 83 2.832 -18.246 21.636 1.00 38.05 O ATOM 0 H HIS A 83 1.417 -16.875 19.264 1.00 65.05 H new ATOM 0 HA HIS A 83 0.427 -18.901 20.961 1.00 20.03 H new ATOM 0 HB2 HIS A 83 0.269 -19.853 18.335 1.00 2.32 H new ATOM 0 HB3 HIS A 83 1.793 -20.489 18.921 1.00 2.32 H new ATOM 0 HD2 HIS A 83 -2.037 -20.888 19.615 1.00 60.10 H new ATOM 0 HE1 HIS A 83 0.029 -23.857 21.820 1.00 24.01 H new ATOM 0 HE2 HIS A 83 -2.257 -23.015 21.096 1.00 24.45 H new TER 1374 HIS A 83