USER MOD reduce.3.24.130724 H: found=0, std=0, add=790, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0734 (180deg=-0.498) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.27 (180deg=0.216) USER MOD Single : A 3 GLN : amide:sc= -0.875 K(o=-0.87,f=-5.4!) USER MOD Single : A 5 LYS NZ :NH3+ 132:sc= 0.249 (180deg=-0.0426) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.2) USER MOD Single : A 12 ASN : amide:sc= 1.21 K(o=1.2,f=-0.041) USER MOD Single : A 13 GLN : amide:sc= -0.569 K(o=-0.57,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.143 K(o=-0.14,f=-1!) USER MOD Single : A 21 GLN : amide:sc= -0.595 X(o=-0.6,f=-0.15) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl -175:sc= -0.511 (180deg=-0.67) USER MOD Single : A 43 ASN : amide:sc= 0.153 K(o=0.15,f=-2.4!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.526 K(o=-0.53,f=-3.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.021 K(o=-0.021,f=-1.1) USER MOD Single : A 57 ASN : amide:sc= 1.13 K(o=1.1,f=-0.1) USER MOD Single : A 58 TYR OH : rot -15:sc= -0.478 USER MOD Single : A 59 GLN : amide:sc= 0.397 X(o=0.4,f=-0.036) USER MOD Single : A 60 SER OG : rot 72:sc= 1.23 USER MOD Single : A 65 ASN : amide:sc= 0.329 K(o=0.33,f=-9!) USER MOD Single : A 68 SER OG : rot -87:sc= 1.31 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -118:sc= -0.116 (180deg=-0.903) USER MOD Single : A 78 MET CE :methyl -150:sc= -0.492 (180deg=-2.13!) USER MOD Single : A 82 ASN : amide:sc= 1.28 K(o=1.3,f=-0.017) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.602 K(o=0.6,f=-3.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 157:sc= -0.559 (180deg=-1.28) USER MOD Single : A 89 TYR OH : rot -109:sc= 1.26 USER MOD Single : A 90 ASN : amide:sc= -0.0632 K(o=-0.063,f=-1.5) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.0107 X(o=-0.011,f=-0.0011) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.012) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.193 X(o=-0.19,f=-0.31) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.666 13.876 13.888 1.00 12.35 N ATOM 2 CA MET A 1 -3.714 13.002 14.460 1.00 54.52 C ATOM 3 C MET A 1 -4.562 12.388 13.351 1.00 60.14 C ATOM 4 O MET A 1 -5.215 13.100 12.587 1.00 13.32 O ATOM 5 CB MET A 1 -4.600 13.784 15.449 1.00 63.13 C ATOM 6 CG MET A 1 -5.385 14.939 14.834 1.00 13.24 C ATOM 7 SD MET A 1 -4.341 16.316 14.309 1.00 54.33 S ATOM 8 CE MET A 1 -3.763 16.913 15.895 1.00 21.35 C ATOM 0 H1 MET A 1 -1.805 13.810 14.467 1.00 12.35 H new ATOM 0 H2 MET A 1 -2.453 13.573 12.916 1.00 12.35 H new ATOM 0 H3 MET A 1 -3.002 14.860 13.878 1.00 12.35 H new ATOM 0 HA MET A 1 -3.224 12.196 15.007 1.00 54.52 H new ATOM 0 HB2 MET A 1 -5.303 13.091 15.910 1.00 63.13 H new ATOM 0 HB3 MET A 1 -3.970 14.177 16.247 1.00 63.13 H new ATOM 0 HG2 MET A 1 -5.947 14.571 13.976 1.00 13.24 H new ATOM 0 HG3 MET A 1 -6.113 15.301 15.560 1.00 13.24 H new ATOM 0 HE1 MET A 1 -3.412 17.940 15.791 1.00 21.35 H new ATOM 0 HE2 MET A 1 -4.580 16.880 16.616 1.00 21.35 H new ATOM 0 HE3 MET A 1 -2.945 16.283 16.245 1.00 21.35 H new ATOM 20 N ASP A 2 -4.511 11.058 13.247 1.00 40.43 N ATOM 21 CA ASP A 2 -5.316 10.310 12.272 1.00 42.42 C ATOM 22 C ASP A 2 -5.125 10.832 10.852 1.00 51.11 C ATOM 23 O ASP A 2 -6.054 10.804 10.050 1.00 43.43 O ATOM 24 CB ASP A 2 -6.803 10.372 12.636 1.00 1.20 C ATOM 25 CG ASP A 2 -7.158 9.504 13.821 1.00 55.34 C ATOM 26 OD1 ASP A 2 -7.055 9.983 14.967 1.00 2.53 O ATOM 27 OD2 ASP A 2 -7.551 8.336 13.611 1.00 71.53 O ATOM 0 H ASP A 2 -3.916 10.470 13.831 1.00 40.43 H new ATOM 0 HA ASP A 2 -4.971 9.276 12.307 1.00 42.42 H new ATOM 0 HB2 ASP A 2 -7.075 11.405 12.855 1.00 1.20 H new ATOM 0 HB3 ASP A 2 -7.395 10.062 11.775 1.00 1.20 H new ATOM 32 N GLN A 3 -3.914 11.276 10.533 1.00 63.04 N ATOM 33 CA GLN A 3 -3.632 11.840 9.213 1.00 13.44 C ATOM 34 C GLN A 3 -3.784 10.781 8.123 1.00 11.24 C ATOM 35 O GLN A 3 -3.939 11.099 6.944 1.00 53.21 O ATOM 36 CB GLN A 3 -2.236 12.478 9.186 1.00 2.34 C ATOM 37 CG GLN A 3 -1.093 11.548 9.566 1.00 61.52 C ATOM 38 CD GLN A 3 -0.487 10.836 8.374 1.00 64.12 C ATOM 39 OE1 GLN A 3 -0.892 9.735 8.021 1.00 44.21 O ATOM 40 NE2 GLN A 3 0.486 11.472 7.742 1.00 30.42 N ATOM 0 H GLN A 3 -3.114 11.258 11.165 1.00 63.04 H new ATOM 0 HA GLN A 3 -4.362 12.624 9.011 1.00 13.44 H new ATOM 0 HB2 GLN A 3 -2.050 12.866 8.184 1.00 2.34 H new ATOM 0 HB3 GLN A 3 -2.230 13.331 9.864 1.00 2.34 H new ATOM 0 HG2 GLN A 3 -0.317 12.123 10.072 1.00 61.52 H new ATOM 0 HG3 GLN A 3 -1.456 10.807 10.278 1.00 61.52 H new ATOM 0 HE21 GLN A 3 0.793 12.388 8.069 1.00 30.42 H new ATOM 0 HE22 GLN A 3 0.929 11.046 6.928 1.00 30.42 H new ATOM 49 N LEU A 4 -3.750 9.523 8.539 1.00 72.11 N ATOM 50 CA LEU A 4 -3.984 8.398 7.650 1.00 44.44 C ATOM 51 C LEU A 4 -5.404 8.430 7.093 1.00 32.12 C ATOM 52 O LEU A 4 -5.657 7.929 5.999 1.00 44.45 O ATOM 53 CB LEU A 4 -3.729 7.098 8.406 1.00 22.55 C ATOM 54 CG LEU A 4 -2.289 6.930 8.899 1.00 42.54 C ATOM 55 CD1 LEU A 4 -2.235 6.009 10.104 1.00 10.24 C ATOM 56 CD2 LEU A 4 -1.404 6.392 7.785 1.00 0.52 C ATOM 0 H LEU A 4 -3.559 9.255 9.504 1.00 72.11 H new ATOM 0 HA LEU A 4 -3.298 8.463 6.805 1.00 44.44 H new ATOM 0 HB2 LEU A 4 -4.402 7.051 9.262 1.00 22.55 H new ATOM 0 HB3 LEU A 4 -3.979 6.259 7.757 1.00 22.55 H new ATOM 0 HG LEU A 4 -1.917 7.910 9.199 1.00 42.54 H new ATOM 0 HD11 LEU A 4 -1.202 5.905 10.436 1.00 10.24 H new ATOM 0 HD12 LEU A 4 -2.835 6.430 10.911 1.00 10.24 H new ATOM 0 HD13 LEU A 4 -2.629 5.030 9.832 1.00 10.24 H new ATOM 0 HD21 LEU A 4 -0.384 6.279 8.153 1.00 0.52 H new ATOM 0 HD22 LEU A 4 -1.781 5.423 7.457 1.00 0.52 H new ATOM 0 HD23 LEU A 4 -1.412 7.088 6.946 1.00 0.52 H new ATOM 68 N LYS A 5 -6.329 9.032 7.844 1.00 31.43 N ATOM 69 CA LYS A 5 -7.701 9.209 7.373 1.00 25.21 C ATOM 70 C LYS A 5 -7.704 10.047 6.107 1.00 32.43 C ATOM 71 O LYS A 5 -8.300 9.664 5.102 1.00 41.25 O ATOM 72 CB LYS A 5 -8.566 9.888 8.440 1.00 62.34 C ATOM 73 CG LYS A 5 -9.938 10.309 7.933 1.00 31.54 C ATOM 74 CD LYS A 5 -10.718 11.074 8.988 1.00 43.13 C ATOM 75 CE LYS A 5 -11.984 11.695 8.410 1.00 1.34 C ATOM 76 NZ LYS A 5 -12.892 10.676 7.818 1.00 65.10 N ATOM 0 H LYS A 5 -6.152 9.403 8.777 1.00 31.43 H new ATOM 0 HA LYS A 5 -8.120 8.225 7.165 1.00 25.21 H new ATOM 0 HB2 LYS A 5 -8.692 9.207 9.282 1.00 62.34 H new ATOM 0 HB3 LYS A 5 -8.042 10.766 8.816 1.00 62.34 H new ATOM 0 HG2 LYS A 5 -9.823 10.930 7.045 1.00 31.54 H new ATOM 0 HG3 LYS A 5 -10.502 9.426 7.633 1.00 31.54 H new ATOM 0 HD2 LYS A 5 -10.982 10.402 9.805 1.00 43.13 H new ATOM 0 HD3 LYS A 5 -10.088 11.857 9.410 1.00 43.13 H new ATOM 0 HE2 LYS A 5 -12.512 12.237 9.195 1.00 1.34 H new ATOM 0 HE3 LYS A 5 -11.713 12.424 7.647 1.00 1.34 H new ATOM 0 HZ1 LYS A 5 -13.861 10.833 8.162 1.00 65.10 H new ATOM 0 HZ2 LYS A 5 -12.875 10.756 6.781 1.00 65.10 H new ATOM 0 HZ3 LYS A 5 -12.576 9.725 8.097 1.00 65.10 H new ATOM 90 N THR A 6 -7.009 11.176 6.166 1.00 31.25 N ATOM 91 CA THR A 6 -6.864 12.064 5.027 1.00 3.24 C ATOM 92 C THR A 6 -6.334 11.299 3.819 1.00 43.12 C ATOM 93 O THR A 6 -6.854 11.418 2.710 1.00 43.15 O ATOM 94 CB THR A 6 -5.897 13.214 5.371 1.00 12.02 C ATOM 95 OG1 THR A 6 -6.396 13.949 6.497 1.00 51.53 O ATOM 96 CG2 THR A 6 -5.699 14.148 4.188 1.00 11.41 C ATOM 0 H THR A 6 -6.531 11.499 7.007 1.00 31.25 H new ATOM 0 HA THR A 6 -7.844 12.475 4.785 1.00 3.24 H new ATOM 0 HB THR A 6 -4.929 12.778 5.619 1.00 12.02 H new ATOM 0 HG1 THR A 6 -5.777 14.678 6.712 1.00 51.53 H new ATOM 0 HG21 THR A 6 -5.012 14.947 4.466 1.00 11.41 H new ATOM 0 HG22 THR A 6 -5.285 13.589 3.349 1.00 11.41 H new ATOM 0 HG23 THR A 6 -6.658 14.579 3.900 1.00 11.41 H new ATOM 104 N ILE A 7 -5.317 10.487 4.060 1.00 61.12 N ATOM 105 CA ILE A 7 -4.710 9.678 3.018 1.00 54.21 C ATOM 106 C ILE A 7 -5.717 8.689 2.431 1.00 45.14 C ATOM 107 O ILE A 7 -5.842 8.571 1.212 1.00 23.21 O ATOM 108 CB ILE A 7 -3.491 8.917 3.568 1.00 13.23 C ATOM 109 CG1 ILE A 7 -2.461 9.917 4.094 1.00 3.22 C ATOM 110 CG2 ILE A 7 -2.885 8.023 2.494 1.00 1.21 C ATOM 111 CD1 ILE A 7 -1.315 9.280 4.843 1.00 22.54 C ATOM 0 H ILE A 7 -4.891 10.371 4.980 1.00 61.12 H new ATOM 0 HA ILE A 7 -4.383 10.349 2.224 1.00 54.21 H new ATOM 0 HB ILE A 7 -3.810 8.275 4.389 1.00 13.23 H new ATOM 0 HG12 ILE A 7 -2.061 10.487 3.255 1.00 3.22 H new ATOM 0 HG13 ILE A 7 -2.962 10.627 4.752 1.00 3.22 H new ATOM 0 HG21 ILE A 7 -2.025 7.494 2.904 1.00 1.21 H new ATOM 0 HG22 ILE A 7 -3.629 7.301 2.159 1.00 1.21 H new ATOM 0 HG23 ILE A 7 -2.567 8.634 1.649 1.00 1.21 H new ATOM 0 HD11 ILE A 7 -0.628 10.054 5.184 1.00 22.54 H new ATOM 0 HD12 ILE A 7 -1.702 8.734 5.703 1.00 22.54 H new ATOM 0 HD13 ILE A 7 -0.787 8.591 4.183 1.00 22.54 H new ATOM 123 N LYS A 8 -6.447 8.001 3.301 1.00 2.44 N ATOM 124 CA LYS A 8 -7.441 7.029 2.862 1.00 44.11 C ATOM 125 C LYS A 8 -8.536 7.704 2.045 1.00 24.44 C ATOM 126 O LYS A 8 -8.984 7.166 1.029 1.00 14.43 O ATOM 127 CB LYS A 8 -8.043 6.291 4.062 1.00 61.24 C ATOM 128 CG LYS A 8 -7.031 5.426 4.792 1.00 24.41 C ATOM 129 CD LYS A 8 -7.654 4.630 5.929 1.00 71.54 C ATOM 130 CE LYS A 8 -6.619 3.714 6.566 1.00 12.03 C ATOM 131 NZ LYS A 8 -7.186 2.856 7.640 1.00 64.31 N ATOM 0 H LYS A 8 -6.369 8.098 4.313 1.00 2.44 H new ATOM 0 HA LYS A 8 -6.942 6.299 2.225 1.00 44.11 H new ATOM 0 HB2 LYS A 8 -8.460 7.019 4.758 1.00 61.24 H new ATOM 0 HB3 LYS A 8 -8.869 5.666 3.721 1.00 61.24 H new ATOM 0 HG2 LYS A 8 -6.568 4.739 4.084 1.00 24.41 H new ATOM 0 HG3 LYS A 8 -6.237 6.059 5.189 1.00 24.41 H new ATOM 0 HD2 LYS A 8 -8.057 5.310 6.679 1.00 71.54 H new ATOM 0 HD3 LYS A 8 -8.489 4.039 5.553 1.00 71.54 H new ATOM 0 HE2 LYS A 8 -6.180 3.080 5.796 1.00 12.03 H new ATOM 0 HE3 LYS A 8 -5.812 4.319 6.980 1.00 12.03 H new ATOM 0 HZ1 LYS A 8 -6.457 2.196 7.978 1.00 64.31 H new ATOM 0 HZ2 LYS A 8 -7.505 3.453 8.429 1.00 64.31 H new ATOM 0 HZ3 LYS A 8 -7.993 2.318 7.265 1.00 64.31 H new ATOM 145 N GLU A 9 -8.951 8.886 2.475 1.00 24.14 N ATOM 146 CA GLU A 9 -9.959 9.650 1.752 1.00 53.32 C ATOM 147 C GLU A 9 -9.423 10.102 0.399 1.00 3.33 C ATOM 148 O GLU A 9 -10.141 10.080 -0.600 1.00 22.31 O ATOM 149 CB GLU A 9 -10.403 10.857 2.569 1.00 2.24 C ATOM 150 CG GLU A 9 -11.004 10.482 3.908 1.00 50.21 C ATOM 151 CD GLU A 9 -11.442 11.683 4.711 1.00 12.24 C ATOM 152 OE1 GLU A 9 -10.577 12.482 5.113 1.00 54.32 O ATOM 153 OE2 GLU A 9 -12.662 11.819 4.958 1.00 33.04 O ATOM 0 H GLU A 9 -8.606 9.338 3.322 1.00 24.14 H new ATOM 0 HA GLU A 9 -10.821 9.003 1.586 1.00 53.32 H new ATOM 0 HB2 GLU A 9 -9.547 11.512 2.733 1.00 2.24 H new ATOM 0 HB3 GLU A 9 -11.135 11.426 1.996 1.00 2.24 H new ATOM 0 HG2 GLU A 9 -11.860 9.827 3.746 1.00 50.21 H new ATOM 0 HG3 GLU A 9 -10.273 9.914 4.483 1.00 50.21 H new ATOM 160 N LEU A 10 -8.160 10.512 0.374 1.00 43.23 N ATOM 161 CA LEU A 10 -7.496 10.881 -0.871 1.00 24.33 C ATOM 162 C LEU A 10 -7.502 9.706 -1.838 1.00 3.41 C ATOM 163 O LEU A 10 -7.876 9.853 -2.998 1.00 63.02 O ATOM 164 CB LEU A 10 -6.060 11.340 -0.607 1.00 70.24 C ATOM 165 CG LEU A 10 -5.934 12.663 0.149 1.00 43.30 C ATOM 166 CD1 LEU A 10 -4.484 12.925 0.519 1.00 14.42 C ATOM 167 CD2 LEU A 10 -6.490 13.807 -0.684 1.00 24.43 C ATOM 0 H LEU A 10 -7.574 10.597 1.204 1.00 43.23 H new ATOM 0 HA LEU A 10 -8.044 11.711 -1.318 1.00 24.33 H new ATOM 0 HB2 LEU A 10 -5.545 10.564 -0.040 1.00 70.24 H new ATOM 0 HB3 LEU A 10 -5.543 11.434 -1.562 1.00 70.24 H new ATOM 0 HG LEU A 10 -6.516 12.594 1.068 1.00 43.30 H new ATOM 0 HD11 LEU A 10 -4.411 13.870 1.057 1.00 14.42 H new ATOM 0 HD12 LEU A 10 -4.119 12.117 1.154 1.00 14.42 H new ATOM 0 HD13 LEU A 10 -3.881 12.975 -0.387 1.00 14.42 H new ATOM 0 HD21 LEU A 10 -6.392 14.741 -0.131 1.00 24.43 H new ATOM 0 HD22 LEU A 10 -5.935 13.879 -1.619 1.00 24.43 H new ATOM 0 HD23 LEU A 10 -7.542 13.622 -0.900 1.00 24.43 H new ATOM 179 N ILE A 11 -7.113 8.537 -1.341 1.00 73.14 N ATOM 180 CA ILE A 11 -7.117 7.317 -2.141 1.00 41.30 C ATOM 181 C ILE A 11 -8.523 7.015 -2.659 1.00 1.23 C ATOM 182 O ILE A 11 -8.705 6.699 -3.832 1.00 1.41 O ATOM 183 CB ILE A 11 -6.593 6.108 -1.332 1.00 53.30 C ATOM 184 CG1 ILE A 11 -5.154 6.364 -0.880 1.00 54.44 C ATOM 185 CG2 ILE A 11 -6.668 4.831 -2.162 1.00 72.05 C ATOM 186 CD1 ILE A 11 -4.605 5.303 0.052 1.00 52.21 C ATOM 0 H ILE A 11 -6.789 8.408 -0.382 1.00 73.14 H new ATOM 0 HA ILE A 11 -6.450 7.482 -2.987 1.00 41.30 H new ATOM 0 HB ILE A 11 -7.223 5.981 -0.452 1.00 53.30 H new ATOM 0 HG12 ILE A 11 -4.513 6.428 -1.759 1.00 54.44 H new ATOM 0 HG13 ILE A 11 -5.107 7.332 -0.381 1.00 54.44 H new ATOM 0 HG21 ILE A 11 -6.295 3.993 -1.574 1.00 72.05 H new ATOM 0 HG22 ILE A 11 -7.703 4.642 -2.447 1.00 72.05 H new ATOM 0 HG23 ILE A 11 -6.060 4.944 -3.060 1.00 72.05 H new ATOM 0 HD11 ILE A 11 -3.581 5.555 0.328 1.00 52.21 H new ATOM 0 HD12 ILE A 11 -5.221 5.254 0.950 1.00 52.21 H new ATOM 0 HD13 ILE A 11 -4.618 4.336 -0.450 1.00 52.21 H new ATOM 198 N ASN A 12 -9.514 7.142 -1.782 1.00 44.02 N ATOM 199 CA ASN A 12 -10.911 6.917 -2.153 1.00 70.21 C ATOM 200 C ASN A 12 -11.344 7.854 -3.276 1.00 11.54 C ATOM 201 O ASN A 12 -12.034 7.445 -4.210 1.00 2.34 O ATOM 202 CB ASN A 12 -11.827 7.102 -0.940 1.00 2.53 C ATOM 203 CG ASN A 12 -12.045 5.816 -0.164 1.00 2.22 C ATOM 204 OD1 ASN A 12 -13.011 5.094 -0.403 1.00 45.32 O ATOM 205 ND2 ASN A 12 -11.159 5.525 0.773 1.00 11.42 N ATOM 0 H ASN A 12 -9.377 7.401 -0.805 1.00 44.02 H new ATOM 0 HA ASN A 12 -10.995 5.891 -2.510 1.00 70.21 H new ATOM 0 HB2 ASN A 12 -11.396 7.852 -0.277 1.00 2.53 H new ATOM 0 HB3 ASN A 12 -12.791 7.487 -1.274 1.00 2.53 H new ATOM 0 HD21 ASN A 12 -11.264 4.676 1.328 1.00 11.42 H new ATOM 0 HD22 ASN A 12 -10.371 6.150 0.941 1.00 11.42 H new ATOM 212 N GLN A 13 -10.932 9.112 -3.184 1.00 4.43 N ATOM 213 CA GLN A 13 -11.251 10.104 -4.206 1.00 54.51 C ATOM 214 C GLN A 13 -10.473 9.831 -5.488 1.00 62.21 C ATOM 215 O GLN A 13 -10.970 10.052 -6.592 1.00 4.32 O ATOM 216 CB GLN A 13 -10.935 11.509 -3.690 1.00 64.25 C ATOM 217 CG GLN A 13 -11.826 11.935 -2.539 1.00 12.12 C ATOM 218 CD GLN A 13 -11.346 13.197 -1.850 1.00 53.33 C ATOM 219 OE1 GLN A 13 -11.706 14.307 -2.236 1.00 51.04 O ATOM 220 NE2 GLN A 13 -10.532 13.027 -0.822 1.00 34.35 N ATOM 0 H GLN A 13 -10.374 9.472 -2.410 1.00 4.43 H new ATOM 0 HA GLN A 13 -12.316 10.036 -4.430 1.00 54.51 H new ATOM 0 HB2 GLN A 13 -9.894 11.546 -3.369 1.00 64.25 H new ATOM 0 HB3 GLN A 13 -11.042 12.222 -4.507 1.00 64.25 H new ATOM 0 HG2 GLN A 13 -12.838 12.094 -2.911 1.00 12.12 H new ATOM 0 HG3 GLN A 13 -11.878 11.127 -1.809 1.00 12.12 H new ATOM 0 HE21 GLN A 13 -10.260 12.086 -0.537 1.00 34.35 H new ATOM 0 HE22 GLN A 13 -10.176 13.837 -0.314 1.00 34.35 H new ATOM 229 N GLY A 14 -9.254 9.341 -5.336 1.00 62.14 N ATOM 230 CA GLY A 14 -8.413 9.079 -6.484 1.00 11.41 C ATOM 231 C GLY A 14 -7.168 9.937 -6.471 1.00 11.13 C ATOM 232 O GLY A 14 -6.342 9.866 -7.381 1.00 30.03 O ATOM 0 H GLY A 14 -8.830 9.119 -4.435 1.00 62.14 H new ATOM 0 HA2 GLY A 14 -8.130 8.026 -6.495 1.00 11.41 H new ATOM 0 HA3 GLY A 14 -8.976 9.268 -7.398 1.00 11.41 H new ATOM 236 N ASP A 15 -7.032 10.752 -5.433 1.00 51.54 N ATOM 237 CA ASP A 15 -5.865 11.608 -5.282 1.00 34.12 C ATOM 238 C ASP A 15 -4.722 10.803 -4.672 1.00 41.43 C ATOM 239 O ASP A 15 -4.388 10.942 -3.493 1.00 31.53 O ATOM 240 CB ASP A 15 -6.193 12.819 -4.406 1.00 24.54 C ATOM 241 CG ASP A 15 -5.212 13.957 -4.601 1.00 22.31 C ATOM 242 OD1 ASP A 15 -4.009 13.693 -4.773 1.00 71.52 O ATOM 243 OD2 ASP A 15 -5.649 15.129 -4.592 1.00 14.11 O ATOM 0 H ASP A 15 -7.717 10.838 -4.682 1.00 51.54 H new ATOM 0 HA ASP A 15 -5.563 11.975 -6.263 1.00 34.12 H new ATOM 0 HB2 ASP A 15 -7.200 13.168 -4.636 1.00 24.54 H new ATOM 0 HB3 ASP A 15 -6.191 12.517 -3.359 1.00 24.54 H new ATOM 248 N ILE A 16 -4.155 9.932 -5.487 1.00 12.30 N ATOM 249 CA ILE A 16 -3.151 8.982 -5.037 1.00 74.33 C ATOM 250 C ILE A 16 -1.824 9.662 -4.700 1.00 61.03 C ATOM 251 O ILE A 16 -1.139 9.264 -3.761 1.00 4.33 O ATOM 252 CB ILE A 16 -2.921 7.892 -6.106 1.00 63.41 C ATOM 253 CG1 ILE A 16 -4.232 7.149 -6.405 1.00 11.01 C ATOM 254 CG2 ILE A 16 -1.843 6.917 -5.667 1.00 22.12 C ATOM 255 CD1 ILE A 16 -4.855 6.482 -5.195 1.00 70.51 C ATOM 0 H ILE A 16 -4.377 9.862 -6.480 1.00 12.30 H new ATOM 0 HA ILE A 16 -3.532 8.524 -4.124 1.00 74.33 H new ATOM 0 HB ILE A 16 -2.581 8.380 -7.020 1.00 63.41 H new ATOM 0 HG12 ILE A 16 -4.948 7.854 -6.827 1.00 11.01 H new ATOM 0 HG13 ILE A 16 -4.043 6.392 -7.166 1.00 11.01 H new ATOM 0 HG21 ILE A 16 -1.701 6.160 -6.438 1.00 22.12 H new ATOM 0 HG22 ILE A 16 -0.908 7.455 -5.510 1.00 22.12 H new ATOM 0 HG23 ILE A 16 -2.145 6.435 -4.737 1.00 22.12 H new ATOM 0 HD11 ILE A 16 -5.776 5.980 -5.490 1.00 70.51 H new ATOM 0 HD12 ILE A 16 -4.159 5.751 -4.784 1.00 70.51 H new ATOM 0 HD13 ILE A 16 -5.079 7.235 -4.439 1.00 70.51 H new ATOM 267 N GLU A 17 -1.476 10.702 -5.444 1.00 3.14 N ATOM 268 CA GLU A 17 -0.178 11.344 -5.285 1.00 61.22 C ATOM 269 C GLU A 17 -0.110 12.135 -3.985 1.00 3.15 C ATOM 270 O GLU A 17 0.920 12.141 -3.308 1.00 10.32 O ATOM 271 CB GLU A 17 0.116 12.238 -6.486 1.00 70.24 C ATOM 272 CG GLU A 17 0.171 11.464 -7.791 1.00 31.23 C ATOM 273 CD GLU A 17 0.393 12.357 -8.987 1.00 64.40 C ATOM 274 OE1 GLU A 17 -0.602 12.841 -9.564 1.00 33.43 O ATOM 275 OE2 GLU A 17 1.561 12.577 -9.360 1.00 15.04 O ATOM 0 H GLU A 17 -2.071 11.118 -6.161 1.00 3.14 H new ATOM 0 HA GLU A 17 0.586 10.568 -5.235 1.00 61.22 H new ATOM 0 HB2 GLU A 17 -0.652 13.009 -6.557 1.00 70.24 H new ATOM 0 HB3 GLU A 17 1.066 12.748 -6.330 1.00 70.24 H new ATOM 0 HG2 GLU A 17 0.973 10.727 -7.739 1.00 31.23 H new ATOM 0 HG3 GLU A 17 -0.760 10.913 -7.922 1.00 31.23 H new ATOM 282 N ASN A 18 -1.208 12.791 -3.625 1.00 4.43 N ATOM 283 CA ASN A 18 -1.286 13.473 -2.338 1.00 61.31 C ATOM 284 C ASN A 18 -1.303 12.457 -1.208 1.00 32.30 C ATOM 285 O ASN A 18 -0.733 12.689 -0.140 1.00 1.22 O ATOM 286 CB ASN A 18 -2.523 14.364 -2.260 1.00 71.33 C ATOM 287 CG ASN A 18 -2.266 15.766 -2.771 1.00 31.23 C ATOM 288 OD1 ASN A 18 -1.184 16.323 -2.575 1.00 15.23 O ATOM 289 ND2 ASN A 18 -3.245 16.339 -3.449 1.00 31.22 N ATOM 0 H ASN A 18 -2.048 12.865 -4.199 1.00 4.43 H new ATOM 0 HA ASN A 18 -0.405 14.107 -2.237 1.00 61.31 H new ATOM 0 HB2 ASN A 18 -3.328 13.912 -2.839 1.00 71.33 H new ATOM 0 HB3 ASN A 18 -2.864 14.415 -1.226 1.00 71.33 H new ATOM 0 HD21 ASN A 18 -3.120 17.276 -3.832 1.00 31.22 H new ATOM 0 HD22 ASN A 18 -4.126 15.844 -3.589 1.00 31.22 H new ATOM 296 N ALA A 19 -1.952 11.324 -1.457 1.00 62.12 N ATOM 297 CA ALA A 19 -1.981 10.234 -0.493 1.00 22.24 C ATOM 298 C ALA A 19 -0.572 9.707 -0.241 1.00 4.12 C ATOM 299 O ALA A 19 -0.110 9.667 0.899 1.00 51.41 O ATOM 300 CB ALA A 19 -2.883 9.115 -0.989 1.00 54.04 C ATOM 0 H ALA A 19 -2.465 11.138 -2.319 1.00 62.12 H new ATOM 0 HA ALA A 19 -2.381 10.614 0.447 1.00 22.24 H new ATOM 0 HB1 ALA A 19 -2.895 8.306 -0.258 1.00 54.04 H new ATOM 0 HB2 ALA A 19 -3.895 9.497 -1.125 1.00 54.04 H new ATOM 0 HB3 ALA A 19 -2.506 8.739 -1.940 1.00 54.04 H new ATOM 306 N LEU A 20 0.116 9.341 -1.319 1.00 74.44 N ATOM 307 CA LEU A 20 1.474 8.808 -1.233 1.00 22.34 C ATOM 308 C LEU A 20 2.423 9.810 -0.588 1.00 14.35 C ATOM 309 O LEU A 20 3.304 9.435 0.184 1.00 10.21 O ATOM 310 CB LEU A 20 1.990 8.440 -2.625 1.00 50.25 C ATOM 311 CG LEU A 20 1.232 7.311 -3.324 1.00 45.51 C ATOM 312 CD1 LEU A 20 1.766 7.106 -4.731 1.00 75.12 C ATOM 313 CD2 LEU A 20 1.339 6.021 -2.526 1.00 71.44 C ATOM 0 H LEU A 20 -0.248 9.404 -2.270 1.00 74.44 H new ATOM 0 HA LEU A 20 1.438 7.915 -0.610 1.00 22.34 H new ATOM 0 HB2 LEU A 20 1.950 9.328 -3.256 1.00 50.25 H new ATOM 0 HB3 LEU A 20 3.039 8.155 -2.542 1.00 50.25 H new ATOM 0 HG LEU A 20 0.181 7.592 -3.388 1.00 45.51 H new ATOM 0 HD11 LEU A 20 1.216 6.299 -5.215 1.00 75.12 H new ATOM 0 HD12 LEU A 20 1.642 8.025 -5.305 1.00 75.12 H new ATOM 0 HD13 LEU A 20 2.824 6.847 -4.685 1.00 75.12 H new ATOM 0 HD21 LEU A 20 0.793 5.229 -3.039 1.00 71.44 H new ATOM 0 HD22 LEU A 20 2.387 5.737 -2.432 1.00 71.44 H new ATOM 0 HD23 LEU A 20 0.913 6.171 -1.534 1.00 71.44 H new ATOM 325 N GLN A 21 2.224 11.085 -0.901 1.00 1.33 N ATOM 326 CA GLN A 21 3.051 12.154 -0.368 1.00 22.03 C ATOM 327 C GLN A 21 3.036 12.143 1.159 1.00 50.24 C ATOM 328 O GLN A 21 4.087 12.155 1.809 1.00 51.14 O ATOM 329 CB GLN A 21 2.534 13.497 -0.881 1.00 41.23 C ATOM 330 CG GLN A 21 3.631 14.435 -1.330 1.00 45.14 C ATOM 331 CD GLN A 21 4.411 13.902 -2.518 1.00 72.11 C ATOM 332 OE1 GLN A 21 5.601 14.175 -2.660 1.00 41.32 O ATOM 333 NE2 GLN A 21 3.745 13.151 -3.386 1.00 61.43 N ATOM 0 H GLN A 21 1.487 11.403 -1.530 1.00 1.33 H new ATOM 0 HA GLN A 21 4.078 12.002 -0.701 1.00 22.03 H new ATOM 0 HB2 GLN A 21 1.854 13.321 -1.714 1.00 41.23 H new ATOM 0 HB3 GLN A 21 1.955 13.979 -0.093 1.00 41.23 H new ATOM 0 HG2 GLN A 21 3.194 15.399 -1.591 1.00 45.14 H new ATOM 0 HG3 GLN A 21 4.316 14.609 -0.500 1.00 45.14 H new ATOM 0 HE21 GLN A 21 2.757 12.947 -3.232 1.00 61.43 H new ATOM 0 HE22 GLN A 21 4.221 12.777 -4.207 1.00 61.43 H new ATOM 342 N ALA A 22 1.836 12.091 1.722 1.00 30.41 N ATOM 343 CA ALA A 22 1.662 12.096 3.167 1.00 72.20 C ATOM 344 C ALA A 22 2.065 10.752 3.766 1.00 14.43 C ATOM 345 O ALA A 22 2.443 10.673 4.934 1.00 63.35 O ATOM 346 CB ALA A 22 0.222 12.432 3.524 1.00 3.12 C ATOM 0 H ALA A 22 0.964 12.045 1.195 1.00 30.41 H new ATOM 0 HA ALA A 22 2.312 12.862 3.589 1.00 72.20 H new ATOM 0 HB1 ALA A 22 0.106 12.432 4.608 1.00 3.12 H new ATOM 0 HB2 ALA A 22 -0.030 13.418 3.132 1.00 3.12 H new ATOM 0 HB3 ALA A 22 -0.444 11.687 3.088 1.00 3.12 H new ATOM 352 N LEU A 23 1.990 9.704 2.953 1.00 53.24 N ATOM 353 CA LEU A 23 2.377 8.367 3.383 1.00 24.13 C ATOM 354 C LEU A 23 3.878 8.284 3.610 1.00 51.52 C ATOM 355 O LEU A 23 4.328 7.837 4.663 1.00 21.23 O ATOM 356 CB LEU A 23 1.941 7.330 2.347 1.00 50.31 C ATOM 357 CG LEU A 23 0.444 7.029 2.335 1.00 33.12 C ATOM 358 CD1 LEU A 23 0.056 6.270 1.077 1.00 70.03 C ATOM 359 CD2 LEU A 23 0.064 6.237 3.574 1.00 5.34 C ATOM 0 H LEU A 23 1.663 9.756 1.988 1.00 53.24 H new ATOM 0 HA LEU A 23 1.876 8.155 4.328 1.00 24.13 H new ATOM 0 HB2 LEU A 23 2.235 7.679 1.357 1.00 50.31 H new ATOM 0 HB3 LEU A 23 2.483 6.402 2.532 1.00 50.31 H new ATOM 0 HG LEU A 23 -0.100 7.973 2.340 1.00 33.12 H new ATOM 0 HD11 LEU A 23 -1.015 6.067 1.090 1.00 70.03 H new ATOM 0 HD12 LEU A 23 0.300 6.870 0.200 1.00 70.03 H new ATOM 0 HD13 LEU A 23 0.604 5.328 1.037 1.00 70.03 H new ATOM 0 HD21 LEU A 23 -1.005 6.027 3.558 1.00 5.34 H new ATOM 0 HD22 LEU A 23 0.618 5.299 3.590 1.00 5.34 H new ATOM 0 HD23 LEU A 23 0.306 6.817 4.465 1.00 5.34 H new ATOM 371 N GLU A 24 4.648 8.738 2.628 1.00 1.32 N ATOM 372 CA GLU A 24 6.102 8.725 2.734 1.00 3.41 C ATOM 373 C GLU A 24 6.561 9.658 3.849 1.00 52.23 C ATOM 374 O GLU A 24 7.582 9.422 4.490 1.00 23.23 O ATOM 375 CB GLU A 24 6.743 9.134 1.406 1.00 43.34 C ATOM 376 CG GLU A 24 6.283 8.285 0.231 1.00 3.22 C ATOM 377 CD GLU A 24 7.050 8.570 -1.044 1.00 32.40 C ATOM 378 OE1 GLU A 24 6.827 9.635 -1.654 1.00 40.34 O ATOM 379 OE2 GLU A 24 7.880 7.726 -1.440 1.00 42.42 O ATOM 0 H GLU A 24 4.291 9.119 1.752 1.00 1.32 H new ATOM 0 HA GLU A 24 6.419 7.710 2.973 1.00 3.41 H new ATOM 0 HB2 GLU A 24 6.509 10.179 1.204 1.00 43.34 H new ATOM 0 HB3 GLU A 24 7.827 9.061 1.496 1.00 43.34 H new ATOM 0 HG2 GLU A 24 6.393 7.231 0.487 1.00 3.22 H new ATOM 0 HG3 GLU A 24 5.222 8.461 0.057 1.00 3.22 H new ATOM 386 N GLU A 25 5.794 10.715 4.073 1.00 1.33 N ATOM 387 CA GLU A 25 6.069 11.653 5.146 1.00 20.40 C ATOM 388 C GLU A 25 5.776 11.004 6.503 1.00 31.23 C ATOM 389 O GLU A 25 6.504 11.208 7.478 1.00 54.42 O ATOM 390 CB GLU A 25 5.217 12.908 4.949 1.00 73.45 C ATOM 391 CG GLU A 25 5.463 13.995 5.977 1.00 62.23 C ATOM 392 CD GLU A 25 6.876 14.536 5.932 1.00 62.43 C ATOM 393 OE1 GLU A 25 7.240 15.187 4.932 1.00 11.23 O ATOM 394 OE2 GLU A 25 7.632 14.319 6.900 1.00 31.51 O ATOM 0 H GLU A 25 4.969 10.944 3.519 1.00 1.33 H new ATOM 0 HA GLU A 25 7.122 11.933 5.126 1.00 20.40 H new ATOM 0 HB2 GLU A 25 5.411 13.313 3.956 1.00 73.45 H new ATOM 0 HB3 GLU A 25 4.164 12.627 4.979 1.00 73.45 H new ATOM 0 HG2 GLU A 25 4.761 14.812 5.811 1.00 62.23 H new ATOM 0 HG3 GLU A 25 5.262 13.599 6.973 1.00 62.23 H new ATOM 401 N PHE A 26 4.715 10.206 6.548 1.00 12.53 N ATOM 402 CA PHE A 26 4.312 9.511 7.766 1.00 40.43 C ATOM 403 C PHE A 26 5.349 8.460 8.154 1.00 12.35 C ATOM 404 O PHE A 26 5.631 8.253 9.337 1.00 71.44 O ATOM 405 CB PHE A 26 2.941 8.860 7.565 1.00 25.23 C ATOM 406 CG PHE A 26 2.367 8.234 8.805 1.00 44.23 C ATOM 407 CD1 PHE A 26 1.901 9.026 9.843 1.00 24.33 C ATOM 408 CD2 PHE A 26 2.286 6.857 8.930 1.00 54.31 C ATOM 409 CE1 PHE A 26 1.366 8.454 10.981 1.00 3.24 C ATOM 410 CE2 PHE A 26 1.752 6.281 10.065 1.00 15.24 C ATOM 411 CZ PHE A 26 1.290 7.082 11.091 1.00 13.51 C ATOM 0 H PHE A 26 4.112 10.023 5.746 1.00 12.53 H new ATOM 0 HA PHE A 26 4.244 10.237 8.576 1.00 40.43 H new ATOM 0 HB2 PHE A 26 2.245 9.613 7.196 1.00 25.23 H new ATOM 0 HB3 PHE A 26 3.024 8.097 6.791 1.00 25.23 H new ATOM 0 HD1 PHE A 26 1.957 10.101 9.761 1.00 24.33 H new ATOM 0 HD2 PHE A 26 2.645 6.227 8.130 1.00 54.31 H new ATOM 0 HE1 PHE A 26 1.008 9.081 11.784 1.00 3.24 H new ATOM 0 HE2 PHE A 26 1.696 5.206 10.151 1.00 15.24 H new ATOM 0 HZ PHE A 26 0.869 6.634 11.979 1.00 13.51 H new ATOM 421 N LEU A 27 5.932 7.816 7.149 1.00 31.32 N ATOM 422 CA LEU A 27 6.973 6.813 7.368 1.00 33.51 C ATOM 423 C LEU A 27 8.165 7.421 8.098 1.00 14.32 C ATOM 424 O LEU A 27 8.910 6.730 8.785 1.00 0.55 O ATOM 425 CB LEU A 27 7.442 6.233 6.031 1.00 24.11 C ATOM 426 CG LEU A 27 6.354 5.581 5.177 1.00 71.40 C ATOM 427 CD1 LEU A 27 6.939 5.091 3.863 1.00 25.31 C ATOM 428 CD2 LEU A 27 5.697 4.434 5.927 1.00 45.13 C ATOM 0 H LEU A 27 5.701 7.971 6.168 1.00 31.32 H new ATOM 0 HA LEU A 27 6.549 6.018 7.981 1.00 33.51 H new ATOM 0 HB2 LEU A 27 7.905 7.032 5.451 1.00 24.11 H new ATOM 0 HB3 LEU A 27 8.217 5.492 6.228 1.00 24.11 H new ATOM 0 HG LEU A 27 5.591 6.329 4.962 1.00 71.40 H new ATOM 0 HD11 LEU A 27 6.154 4.629 3.265 1.00 25.31 H new ATOM 0 HD12 LEU A 27 7.363 5.934 3.317 1.00 25.31 H new ATOM 0 HD13 LEU A 27 7.721 4.358 4.063 1.00 25.31 H new ATOM 0 HD21 LEU A 27 4.926 3.984 5.301 1.00 45.13 H new ATOM 0 HD22 LEU A 27 6.448 3.683 6.174 1.00 45.13 H new ATOM 0 HD23 LEU A 27 5.245 4.811 6.845 1.00 45.13 H new ATOM 440 N GLN A 28 8.325 8.724 7.953 1.00 61.10 N ATOM 441 CA GLN A 28 9.456 9.430 8.531 1.00 63.30 C ATOM 442 C GLN A 28 9.169 9.875 9.965 1.00 12.25 C ATOM 443 O GLN A 28 10.075 10.309 10.676 1.00 14.24 O ATOM 444 CB GLN A 28 9.801 10.647 7.674 1.00 11.03 C ATOM 445 CG GLN A 28 10.124 10.297 6.230 1.00 45.25 C ATOM 446 CD GLN A 28 10.282 11.521 5.348 1.00 40.44 C ATOM 447 OE1 GLN A 28 10.703 12.584 5.803 1.00 53.42 O ATOM 448 NE2 GLN A 28 9.941 11.379 4.077 1.00 25.04 N ATOM 0 H GLN A 28 7.680 9.320 7.435 1.00 61.10 H new ATOM 0 HA GLN A 28 10.302 8.743 8.554 1.00 63.30 H new ATOM 0 HB2 GLN A 28 8.963 11.344 7.692 1.00 11.03 H new ATOM 0 HB3 GLN A 28 10.654 11.162 8.115 1.00 11.03 H new ATOM 0 HG2 GLN A 28 11.043 9.712 6.200 1.00 45.25 H new ATOM 0 HG3 GLN A 28 9.332 9.666 5.828 1.00 45.25 H new ATOM 0 HE21 GLN A 28 9.596 10.481 3.739 1.00 25.04 H new ATOM 0 HE22 GLN A 28 10.023 12.168 3.436 1.00 25.04 H new ATOM 457 N THR A 29 7.917 9.758 10.400 1.00 41.33 N ATOM 458 CA THR A 29 7.531 10.299 11.698 1.00 2.45 C ATOM 459 C THR A 29 6.964 9.224 12.638 1.00 11.40 C ATOM 460 O THR A 29 7.020 9.375 13.861 1.00 4.11 O ATOM 461 CB THR A 29 6.513 11.457 11.536 1.00 73.14 C ATOM 462 OG1 THR A 29 6.371 12.175 12.768 1.00 31.45 O ATOM 463 CG2 THR A 29 5.149 10.948 11.086 1.00 30.24 C ATOM 0 H THR A 29 7.165 9.302 9.883 1.00 41.33 H new ATOM 0 HA THR A 29 8.441 10.686 12.156 1.00 2.45 H new ATOM 0 HB THR A 29 6.901 12.124 10.766 1.00 73.14 H new ATOM 0 HG1 THR A 29 5.726 12.904 12.650 1.00 31.45 H new ATOM 0 HG21 THR A 29 4.463 11.789 10.984 1.00 30.24 H new ATOM 0 HG22 THR A 29 5.248 10.441 10.126 1.00 30.24 H new ATOM 0 HG23 THR A 29 4.759 10.249 11.826 1.00 30.24 H new ATOM 471 N GLU A 30 6.436 8.141 12.079 1.00 75.25 N ATOM 472 CA GLU A 30 5.840 7.083 12.883 1.00 53.35 C ATOM 473 C GLU A 30 6.423 5.719 12.518 1.00 54.25 C ATOM 474 O GLU A 30 5.995 5.088 11.560 1.00 41.55 O ATOM 475 CB GLU A 30 4.323 7.077 12.707 1.00 73.54 C ATOM 476 CG GLU A 30 3.565 7.424 13.975 1.00 14.34 C ATOM 477 CD GLU A 30 3.806 6.419 15.080 1.00 24.15 C ATOM 478 OE1 GLU A 30 3.754 5.206 14.799 1.00 75.50 O ATOM 479 OE2 GLU A 30 4.040 6.837 16.237 1.00 42.12 O ATOM 0 H GLU A 30 6.409 7.974 11.073 1.00 75.25 H new ATOM 0 HA GLU A 30 6.074 7.280 13.929 1.00 53.35 H new ATOM 0 HB2 GLU A 30 4.053 7.788 11.926 1.00 73.54 H new ATOM 0 HB3 GLU A 30 4.009 6.091 12.364 1.00 73.54 H new ATOM 0 HG2 GLU A 30 3.865 8.415 14.316 1.00 14.34 H new ATOM 0 HG3 GLU A 30 2.498 7.472 13.757 1.00 14.34 H new ATOM 486 N PRO A 31 7.427 5.273 13.283 1.00 13.41 N ATOM 487 CA PRO A 31 8.136 4.004 13.052 1.00 63.11 C ATOM 488 C PRO A 31 7.250 2.761 13.119 1.00 24.13 C ATOM 489 O PRO A 31 7.469 1.793 12.387 1.00 11.44 O ATOM 490 CB PRO A 31 9.180 3.961 14.173 1.00 75.54 C ATOM 491 CG PRO A 31 8.684 4.923 15.199 1.00 63.34 C ATOM 492 CD PRO A 31 7.983 6.000 14.429 1.00 53.42 C ATOM 0 HA PRO A 31 8.548 3.982 12.043 1.00 63.11 H new ATOM 0 HB2 PRO A 31 9.274 2.957 14.586 1.00 75.54 H new ATOM 0 HB3 PRO A 31 10.165 4.248 13.806 1.00 75.54 H new ATOM 0 HG2 PRO A 31 8.006 4.435 15.899 1.00 63.34 H new ATOM 0 HG3 PRO A 31 9.507 5.331 15.785 1.00 63.34 H new ATOM 0 HD2 PRO A 31 7.203 6.478 15.021 1.00 53.42 H new ATOM 0 HD3 PRO A 31 8.671 6.785 14.115 1.00 53.42 H new ATOM 500 N VAL A 32 6.260 2.780 13.986 1.00 32.12 N ATOM 501 CA VAL A 32 5.457 1.588 14.223 1.00 34.33 C ATOM 502 C VAL A 32 4.166 1.605 13.402 1.00 40.00 C ATOM 503 O VAL A 32 3.654 0.554 13.027 1.00 1.34 O ATOM 504 CB VAL A 32 5.146 1.407 15.728 1.00 52.24 C ATOM 505 CG1 VAL A 32 4.318 2.559 16.267 1.00 20.21 C ATOM 506 CG2 VAL A 32 4.456 0.076 15.987 1.00 23.31 C ATOM 0 H VAL A 32 5.990 3.596 14.536 1.00 32.12 H new ATOM 0 HA VAL A 32 6.049 0.733 13.895 1.00 34.33 H new ATOM 0 HB VAL A 32 6.097 1.406 16.261 1.00 52.24 H new ATOM 0 HG11 VAL A 32 4.118 2.399 17.327 1.00 20.21 H new ATOM 0 HG12 VAL A 32 4.866 3.492 16.138 1.00 20.21 H new ATOM 0 HG13 VAL A 32 3.374 2.614 15.724 1.00 20.21 H new ATOM 0 HG21 VAL A 32 4.249 -0.025 17.052 1.00 23.31 H new ATOM 0 HG22 VAL A 32 3.520 0.037 15.430 1.00 23.31 H new ATOM 0 HG23 VAL A 32 5.104 -0.739 15.664 1.00 23.31 H new ATOM 516 N GLY A 33 3.672 2.792 13.084 1.00 70.53 N ATOM 517 CA GLY A 33 2.430 2.903 12.340 1.00 4.40 C ATOM 518 C GLY A 33 2.632 2.780 10.843 1.00 24.50 C ATOM 519 O GLY A 33 1.720 3.042 10.059 1.00 25.01 O ATOM 0 H GLY A 33 4.107 3.682 13.327 1.00 70.53 H new ATOM 0 HA2 GLY A 33 1.740 2.128 12.674 1.00 4.40 H new ATOM 0 HA3 GLY A 33 1.963 3.863 12.562 1.00 4.40 H new ATOM 523 N LYS A 34 3.824 2.360 10.444 1.00 63.02 N ATOM 524 CA LYS A 34 4.161 2.248 9.031 1.00 53.11 C ATOM 525 C LYS A 34 3.382 1.121 8.366 1.00 42.23 C ATOM 526 O LYS A 34 3.236 1.106 7.150 1.00 22.35 O ATOM 527 CB LYS A 34 5.662 2.030 8.837 1.00 11.32 C ATOM 528 CG LYS A 34 6.514 3.122 9.457 1.00 14.24 C ATOM 529 CD LYS A 34 7.953 3.066 8.973 1.00 60.13 C ATOM 530 CE LYS A 34 8.853 3.967 9.798 1.00 40.44 C ATOM 531 NZ LYS A 34 10.247 3.987 9.288 1.00 63.52 N ATOM 0 H LYS A 34 4.575 2.091 11.079 1.00 63.02 H new ATOM 0 HA LYS A 34 3.882 3.189 8.557 1.00 53.11 H new ATOM 0 HB2 LYS A 34 5.942 1.070 9.272 1.00 11.32 H new ATOM 0 HB3 LYS A 34 5.878 1.972 7.770 1.00 11.32 H new ATOM 0 HG2 LYS A 34 6.088 4.096 9.215 1.00 14.24 H new ATOM 0 HG3 LYS A 34 6.493 3.026 10.543 1.00 14.24 H new ATOM 0 HD2 LYS A 34 8.316 2.040 9.027 1.00 60.13 H new ATOM 0 HD3 LYS A 34 7.998 3.366 7.926 1.00 60.13 H new ATOM 0 HE2 LYS A 34 8.452 4.981 9.794 1.00 40.44 H new ATOM 0 HE3 LYS A 34 8.852 3.628 10.834 1.00 40.44 H new ATOM 0 HZ1 LYS A 34 10.825 4.615 9.882 1.00 63.52 H new ATOM 0 HZ2 LYS A 34 10.641 3.025 9.316 1.00 63.52 H new ATOM 0 HZ3 LYS A 34 10.253 4.335 8.308 1.00 63.52 H new ATOM 545 N ASP A 35 2.876 0.181 9.162 1.00 0.00 N ATOM 546 CA ASP A 35 2.091 -0.927 8.625 1.00 23.42 C ATOM 547 C ASP A 35 0.811 -0.400 7.988 1.00 41.01 C ATOM 548 O ASP A 35 0.397 -0.866 6.926 1.00 33.25 O ATOM 549 CB ASP A 35 1.759 -1.954 9.717 1.00 54.54 C ATOM 550 CG ASP A 35 0.891 -1.388 10.825 1.00 23.11 C ATOM 551 OD1 ASP A 35 1.411 -0.625 11.661 1.00 24.01 O ATOM 552 OD2 ASP A 35 -0.317 -1.704 10.868 1.00 65.40 O ATOM 0 H ASP A 35 2.995 0.165 10.175 1.00 0.00 H new ATOM 0 HA ASP A 35 2.688 -1.429 7.864 1.00 23.42 H new ATOM 0 HB2 ASP A 35 1.250 -2.805 9.264 1.00 54.54 H new ATOM 0 HB3 ASP A 35 2.687 -2.330 10.147 1.00 54.54 H new ATOM 557 N GLU A 36 0.209 0.596 8.630 1.00 21.14 N ATOM 558 CA GLU A 36 -0.997 1.224 8.107 1.00 23.40 C ATOM 559 C GLU A 36 -0.651 2.003 6.845 1.00 2.34 C ATOM 560 O GLU A 36 -1.341 1.917 5.829 1.00 4.34 O ATOM 561 CB GLU A 36 -1.600 2.165 9.155 1.00 42.44 C ATOM 562 CG GLU A 36 -2.953 2.756 8.771 1.00 64.35 C ATOM 563 CD GLU A 36 -4.097 1.770 8.919 1.00 3.54 C ATOM 564 OE1 GLU A 36 -4.267 1.225 10.030 1.00 70.21 O ATOM 565 OE2 GLU A 36 -4.853 1.571 7.946 1.00 2.23 O ATOM 0 H GLU A 36 0.538 0.985 9.514 1.00 21.14 H new ATOM 0 HA GLU A 36 -1.731 0.454 7.869 1.00 23.40 H new ATOM 0 HB2 GLU A 36 -1.708 1.621 10.093 1.00 42.44 H new ATOM 0 HB3 GLU A 36 -0.900 2.980 9.338 1.00 42.44 H new ATOM 0 HG2 GLU A 36 -3.151 3.629 9.393 1.00 64.35 H new ATOM 0 HG3 GLU A 36 -2.911 3.103 7.738 1.00 64.35 H new ATOM 572 N ALA A 37 0.448 2.743 6.921 1.00 2.52 N ATOM 573 CA ALA A 37 0.894 3.577 5.818 1.00 65.31 C ATOM 574 C ALA A 37 1.255 2.742 4.594 1.00 24.34 C ATOM 575 O ALA A 37 0.752 2.992 3.501 1.00 44.41 O ATOM 576 CB ALA A 37 2.078 4.427 6.251 1.00 73.24 C ATOM 0 H ALA A 37 1.050 2.781 7.744 1.00 2.52 H new ATOM 0 HA ALA A 37 0.069 4.232 5.537 1.00 65.31 H new ATOM 0 HB1 ALA A 37 2.404 5.048 5.417 1.00 73.24 H new ATOM 0 HB2 ALA A 37 1.783 5.064 7.084 1.00 73.24 H new ATOM 0 HB3 ALA A 37 2.897 3.779 6.563 1.00 73.24 H new ATOM 582 N TYR A 38 2.110 1.738 4.783 1.00 2.02 N ATOM 583 CA TYR A 38 2.569 0.900 3.677 1.00 61.23 C ATOM 584 C TYR A 38 1.408 0.188 2.989 1.00 5.34 C ATOM 585 O TYR A 38 1.421 0.016 1.767 1.00 64.53 O ATOM 586 CB TYR A 38 3.608 -0.118 4.146 1.00 64.23 C ATOM 587 CG TYR A 38 5.021 0.413 4.140 1.00 44.14 C ATOM 588 CD1 TYR A 38 5.655 0.726 2.942 1.00 54.40 C ATOM 589 CD2 TYR A 38 5.727 0.600 5.320 1.00 3.51 C ATOM 590 CE1 TYR A 38 6.948 1.208 2.924 1.00 2.01 C ATOM 591 CE2 TYR A 38 7.022 1.082 5.310 1.00 2.44 C ATOM 592 CZ TYR A 38 7.628 1.386 4.108 1.00 54.03 C ATOM 593 OH TYR A 38 8.921 1.861 4.092 1.00 2.52 O ATOM 0 H TYR A 38 2.499 1.485 5.692 1.00 2.02 H new ATOM 0 HA TYR A 38 3.038 1.563 2.950 1.00 61.23 H new ATOM 0 HB2 TYR A 38 3.356 -0.443 5.155 1.00 64.23 H new ATOM 0 HB3 TYR A 38 3.557 -0.998 3.505 1.00 64.23 H new ATOM 0 HD1 TYR A 38 5.126 0.589 2.010 1.00 54.40 H new ATOM 0 HD2 TYR A 38 5.256 0.365 6.263 1.00 3.51 H new ATOM 0 HE1 TYR A 38 7.425 1.445 1.984 1.00 2.01 H new ATOM 0 HE2 TYR A 38 7.557 1.220 6.238 1.00 2.44 H new ATOM 0 HH TYR A 38 9.256 1.930 5.011 1.00 2.52 H new ATOM 603 N TYR A 39 0.404 -0.219 3.764 1.00 12.12 N ATOM 604 CA TYR A 39 -0.797 -0.801 3.180 1.00 32.11 C ATOM 605 C TYR A 39 -1.461 0.207 2.253 1.00 32.53 C ATOM 606 O TYR A 39 -1.808 -0.115 1.116 1.00 23.00 O ATOM 607 CB TYR A 39 -1.793 -1.241 4.260 1.00 55.04 C ATOM 608 CG TYR A 39 -3.111 -1.723 3.687 1.00 62.30 C ATOM 609 CD1 TYR A 39 -3.269 -3.039 3.273 1.00 11.02 C ATOM 610 CD2 TYR A 39 -4.193 -0.859 3.548 1.00 1.34 C ATOM 611 CE1 TYR A 39 -4.463 -3.480 2.736 1.00 51.23 C ATOM 612 CE2 TYR A 39 -5.391 -1.293 3.014 1.00 62.42 C ATOM 613 CZ TYR A 39 -5.520 -2.605 2.609 1.00 51.15 C ATOM 614 OH TYR A 39 -6.710 -3.043 2.074 1.00 15.25 O ATOM 0 H TYR A 39 0.399 -0.157 4.782 1.00 12.12 H new ATOM 0 HA TYR A 39 -0.499 -1.684 2.615 1.00 32.11 H new ATOM 0 HB2 TYR A 39 -1.348 -2.039 4.854 1.00 55.04 H new ATOM 0 HB3 TYR A 39 -1.980 -0.407 4.936 1.00 55.04 H new ATOM 0 HD1 TYR A 39 -2.445 -3.729 3.373 1.00 11.02 H new ATOM 0 HD2 TYR A 39 -4.094 0.169 3.863 1.00 1.34 H new ATOM 0 HE1 TYR A 39 -4.568 -4.506 2.417 1.00 51.23 H new ATOM 0 HE2 TYR A 39 -6.221 -0.609 2.914 1.00 62.42 H new ATOM 0 HH TYR A 39 -7.352 -2.303 2.055 1.00 15.25 H new ATOM 624 N LEU A 40 -1.620 1.431 2.743 1.00 21.24 N ATOM 625 CA LEU A 40 -2.258 2.491 1.975 1.00 1.13 C ATOM 626 C LEU A 40 -1.456 2.815 0.724 1.00 2.34 C ATOM 627 O LEU A 40 -2.026 3.107 -0.322 1.00 62.12 O ATOM 628 CB LEU A 40 -2.423 3.748 2.830 1.00 44.12 C ATOM 629 CG LEU A 40 -3.307 3.576 4.063 1.00 1.44 C ATOM 630 CD1 LEU A 40 -3.407 4.881 4.841 1.00 55.44 C ATOM 631 CD2 LEU A 40 -4.687 3.079 3.656 1.00 30.03 C ATOM 0 H LEU A 40 -1.314 1.714 3.674 1.00 21.24 H new ATOM 0 HA LEU A 40 -3.244 2.138 1.672 1.00 1.13 H new ATOM 0 HB2 LEU A 40 -1.437 4.083 3.152 1.00 44.12 H new ATOM 0 HB3 LEU A 40 -2.841 4.540 2.209 1.00 44.12 H new ATOM 0 HG LEU A 40 -2.852 2.831 4.716 1.00 1.44 H new ATOM 0 HD11 LEU A 40 -4.041 4.736 5.715 1.00 55.44 H new ATOM 0 HD12 LEU A 40 -2.412 5.190 5.162 1.00 55.44 H new ATOM 0 HD13 LEU A 40 -3.839 5.652 4.204 1.00 55.44 H new ATOM 0 HD21 LEU A 40 -5.308 2.960 4.544 1.00 30.03 H new ATOM 0 HD22 LEU A 40 -5.150 3.801 2.984 1.00 30.03 H new ATOM 0 HD23 LEU A 40 -4.593 2.119 3.148 1.00 30.03 H new ATOM 643 N MET A 41 -0.135 2.750 0.836 1.00 23.03 N ATOM 644 CA MET A 41 0.742 3.010 -0.299 1.00 65.34 C ATOM 645 C MET A 41 0.501 1.985 -1.395 1.00 51.51 C ATOM 646 O MET A 41 0.230 2.343 -2.541 1.00 73.45 O ATOM 647 CB MET A 41 2.211 2.986 0.128 1.00 14.42 C ATOM 648 CG MET A 41 2.521 3.960 1.244 1.00 63.23 C ATOM 649 SD MET A 41 4.257 3.973 1.727 1.00 44.45 S ATOM 650 CE MET A 41 4.945 5.010 0.441 1.00 5.22 C ATOM 0 H MET A 41 0.353 2.519 1.702 1.00 23.03 H new ATOM 0 HA MET A 41 0.513 4.004 -0.684 1.00 65.34 H new ATOM 0 HB2 MET A 41 2.473 1.978 0.450 1.00 14.42 H new ATOM 0 HB3 MET A 41 2.837 3.218 -0.733 1.00 14.42 H new ATOM 0 HG2 MET A 41 2.232 4.963 0.930 1.00 63.23 H new ATOM 0 HG3 MET A 41 1.912 3.710 2.113 1.00 63.23 H new ATOM 0 HE1 MET A 41 6.030 5.046 0.544 1.00 5.22 H new ATOM 0 HE2 MET A 41 4.687 4.599 -0.535 1.00 5.22 H new ATOM 0 HE3 MET A 41 4.538 6.017 0.530 1.00 5.22 H new ATOM 660 N GLY A 42 0.571 0.712 -1.028 1.00 73.21 N ATOM 661 CA GLY A 42 0.330 -0.348 -1.986 1.00 23.41 C ATOM 662 C GLY A 42 -1.079 -0.303 -2.536 1.00 61.20 C ATOM 663 O GLY A 42 -1.297 -0.518 -3.727 1.00 1.14 O ATOM 0 H GLY A 42 0.790 0.395 -0.084 1.00 73.21 H new ATOM 0 HA2 GLY A 42 1.043 -0.264 -2.807 1.00 23.41 H new ATOM 0 HA3 GLY A 42 0.503 -1.313 -1.510 1.00 23.41 H new ATOM 667 N ASN A 43 -2.030 0.003 -1.666 1.00 61.20 N ATOM 668 CA ASN A 43 -3.434 0.080 -2.049 1.00 0.50 C ATOM 669 C ASN A 43 -3.678 1.274 -2.971 1.00 64.13 C ATOM 670 O ASN A 43 -4.601 1.268 -3.788 1.00 33.24 O ATOM 671 CB ASN A 43 -4.308 0.166 -0.790 1.00 1.43 C ATOM 672 CG ASN A 43 -5.793 0.138 -1.086 1.00 70.45 C ATOM 673 OD1 ASN A 43 -6.378 -0.927 -1.282 1.00 23.21 O ATOM 674 ND2 ASN A 43 -6.423 1.301 -1.072 1.00 2.30 N ATOM 0 H ASN A 43 -1.854 0.204 -0.682 1.00 61.20 H new ATOM 0 HA ASN A 43 -3.703 -0.821 -2.600 1.00 0.50 H new ATOM 0 HB2 ASN A 43 -4.061 -0.664 -0.128 1.00 1.43 H new ATOM 0 HB3 ASN A 43 -4.069 1.084 -0.253 1.00 1.43 H new ATOM 0 HD21 ASN A 43 -7.430 1.337 -1.227 1.00 2.30 H new ATOM 0 HD22 ASN A 43 -5.901 2.162 -0.906 1.00 2.30 H new ATOM 681 N ALA A 44 -2.833 2.287 -2.848 1.00 5.44 N ATOM 682 CA ALA A 44 -2.902 3.455 -3.715 1.00 24.11 C ATOM 683 C ALA A 44 -2.383 3.122 -5.109 1.00 15.34 C ATOM 684 O ALA A 44 -3.033 3.428 -6.111 1.00 24.02 O ATOM 685 CB ALA A 44 -2.117 4.607 -3.109 1.00 33.14 C ATOM 0 H ALA A 44 -2.088 2.324 -2.153 1.00 5.44 H new ATOM 0 HA ALA A 44 -3.945 3.758 -3.807 1.00 24.11 H new ATOM 0 HB1 ALA A 44 -2.177 5.474 -3.767 1.00 33.14 H new ATOM 0 HB2 ALA A 44 -2.536 4.861 -2.135 1.00 33.14 H new ATOM 0 HB3 ALA A 44 -1.074 4.313 -2.989 1.00 33.14 H new ATOM 691 N TYR A 45 -1.215 2.483 -5.171 1.00 33.24 N ATOM 692 CA TYR A 45 -0.658 2.028 -6.444 1.00 65.44 C ATOM 693 C TYR A 45 -1.600 1.022 -7.106 1.00 54.30 C ATOM 694 O TYR A 45 -1.712 0.968 -8.333 1.00 44.51 O ATOM 695 CB TYR A 45 0.721 1.392 -6.245 1.00 71.25 C ATOM 696 CG TYR A 45 1.815 2.373 -5.886 1.00 63.35 C ATOM 697 CD1 TYR A 45 2.374 3.204 -6.850 1.00 73.31 C ATOM 698 CD2 TYR A 45 2.296 2.466 -4.587 1.00 4.51 C ATOM 699 CE1 TYR A 45 3.377 4.096 -6.528 1.00 43.01 C ATOM 700 CE2 TYR A 45 3.299 3.357 -4.256 1.00 74.02 C ATOM 701 CZ TYR A 45 3.835 4.169 -5.230 1.00 40.11 C ATOM 702 OH TYR A 45 4.832 5.060 -4.910 1.00 42.43 O ATOM 0 H TYR A 45 -0.638 2.269 -4.357 1.00 33.24 H new ATOM 0 HA TYR A 45 -0.548 2.898 -7.092 1.00 65.44 H new ATOM 0 HB2 TYR A 45 0.651 0.640 -5.459 1.00 71.25 H new ATOM 0 HB3 TYR A 45 1.003 0.871 -7.160 1.00 71.25 H new ATOM 0 HD1 TYR A 45 2.018 3.151 -7.868 1.00 73.31 H new ATOM 0 HD2 TYR A 45 1.878 1.830 -3.821 1.00 4.51 H new ATOM 0 HE1 TYR A 45 3.801 4.734 -7.290 1.00 43.01 H new ATOM 0 HE2 TYR A 45 3.660 3.416 -3.240 1.00 74.02 H new ATOM 0 HH TYR A 45 5.040 4.989 -3.955 1.00 42.43 H new ATOM 712 N ARG A 46 -2.264 0.232 -6.269 1.00 74.05 N ATOM 713 CA ARG A 46 -3.293 -0.705 -6.710 1.00 33.42 C ATOM 714 C ARG A 46 -4.401 0.018 -7.472 1.00 63.44 C ATOM 715 O ARG A 46 -4.795 -0.397 -8.563 1.00 4.10 O ATOM 716 CB ARG A 46 -3.875 -1.412 -5.484 1.00 22.44 C ATOM 717 CG ARG A 46 -5.155 -2.189 -5.742 1.00 21.14 C ATOM 718 CD ARG A 46 -5.794 -2.618 -4.432 1.00 41.01 C ATOM 719 NE ARG A 46 -7.071 -3.305 -4.623 1.00 11.44 N ATOM 720 CZ ARG A 46 -7.906 -3.607 -3.628 1.00 52.52 C ATOM 721 NH1 ARG A 46 -7.633 -3.228 -2.383 1.00 43.40 N ATOM 722 NH2 ARG A 46 -9.032 -4.266 -3.878 1.00 43.43 N ATOM 0 H ARG A 46 -2.104 0.223 -5.262 1.00 74.05 H new ATOM 0 HA ARG A 46 -2.845 -1.435 -7.385 1.00 33.42 H new ATOM 0 HB2 ARG A 46 -3.125 -2.097 -5.087 1.00 22.44 H new ATOM 0 HB3 ARG A 46 -4.068 -0.668 -4.711 1.00 22.44 H new ATOM 0 HG2 ARG A 46 -5.853 -1.573 -6.308 1.00 21.14 H new ATOM 0 HG3 ARG A 46 -4.938 -3.066 -6.351 1.00 21.14 H new ATOM 0 HD2 ARG A 46 -5.109 -3.276 -3.897 1.00 41.01 H new ATOM 0 HD3 ARG A 46 -5.949 -1.741 -3.804 1.00 41.01 H new ATOM 0 HE ARG A 46 -7.338 -3.568 -5.572 1.00 11.44 H new ATOM 0 HH11 ARG A 46 -6.781 -2.703 -2.185 1.00 43.40 H new ATOM 0 HH12 ARG A 46 -8.276 -3.462 -1.626 1.00 43.40 H new ATOM 0 HH21 ARG A 46 -9.260 -4.542 -4.833 1.00 43.43 H new ATOM 0 HH22 ARG A 46 -9.669 -4.496 -3.115 1.00 43.43 H new ATOM 736 N LYS A 47 -4.891 1.107 -6.887 1.00 50.23 N ATOM 737 CA LYS A 47 -5.974 1.879 -7.468 1.00 73.40 C ATOM 738 C LYS A 47 -5.528 2.572 -8.756 1.00 1.44 C ATOM 739 O LYS A 47 -6.346 2.886 -9.620 1.00 24.11 O ATOM 740 CB LYS A 47 -6.456 2.904 -6.444 1.00 31.00 C ATOM 741 CG LYS A 47 -7.939 3.196 -6.528 1.00 73.14 C ATOM 742 CD LYS A 47 -8.390 4.039 -5.349 1.00 55.00 C ATOM 743 CE LYS A 47 -9.899 4.017 -5.183 1.00 75.44 C ATOM 744 NZ LYS A 47 -10.600 4.790 -6.240 1.00 42.41 N ATOM 0 H LYS A 47 -4.547 1.475 -6.000 1.00 50.23 H new ATOM 0 HA LYS A 47 -6.793 1.207 -7.727 1.00 73.40 H new ATOM 0 HB2 LYS A 47 -6.222 2.542 -5.443 1.00 31.00 H new ATOM 0 HB3 LYS A 47 -5.903 3.833 -6.585 1.00 31.00 H new ATOM 0 HG2 LYS A 47 -8.159 3.718 -7.459 1.00 73.14 H new ATOM 0 HG3 LYS A 47 -8.498 2.260 -6.547 1.00 73.14 H new ATOM 0 HD2 LYS A 47 -7.919 3.671 -4.438 1.00 55.00 H new ATOM 0 HD3 LYS A 47 -8.055 5.067 -5.488 1.00 55.00 H new ATOM 0 HE2 LYS A 47 -10.248 2.985 -5.201 1.00 75.44 H new ATOM 0 HE3 LYS A 47 -10.160 4.425 -4.206 1.00 75.44 H new ATOM 0 HZ1 LYS A 47 -11.627 4.743 -6.081 1.00 42.41 H new ATOM 0 HZ2 LYS A 47 -10.290 5.782 -6.208 1.00 42.41 H new ATOM 0 HZ3 LYS A 47 -10.375 4.387 -7.172 1.00 42.41 H new ATOM 758 N LEU A 48 -4.228 2.813 -8.871 1.00 42.02 N ATOM 759 CA LEU A 48 -3.655 3.364 -10.094 1.00 62.34 C ATOM 760 C LEU A 48 -3.633 2.308 -11.192 1.00 14.05 C ATOM 761 O LEU A 48 -4.287 2.453 -12.225 1.00 30.25 O ATOM 762 CB LEU A 48 -2.229 3.870 -9.848 1.00 60.13 C ATOM 763 CG LEU A 48 -2.110 5.110 -8.966 1.00 20.34 C ATOM 764 CD1 LEU A 48 -0.647 5.442 -8.724 1.00 64.24 C ATOM 765 CD2 LEU A 48 -2.822 6.290 -9.610 1.00 5.23 C ATOM 0 H LEU A 48 -3.549 2.635 -8.131 1.00 42.02 H new ATOM 0 HA LEU A 48 -4.278 4.201 -10.408 1.00 62.34 H new ATOM 0 HB2 LEU A 48 -1.651 3.066 -9.392 1.00 60.13 H new ATOM 0 HB3 LEU A 48 -1.769 4.087 -10.812 1.00 60.13 H new ATOM 0 HG LEU A 48 -2.585 4.903 -8.007 1.00 20.34 H new ATOM 0 HD11 LEU A 48 -0.574 6.328 -8.094 1.00 64.24 H new ATOM 0 HD12 LEU A 48 -0.161 4.603 -8.227 1.00 64.24 H new ATOM 0 HD13 LEU A 48 -0.155 5.634 -9.677 1.00 64.24 H new ATOM 0 HD21 LEU A 48 -2.728 7.166 -8.968 1.00 5.23 H new ATOM 0 HD22 LEU A 48 -2.372 6.501 -10.580 1.00 5.23 H new ATOM 0 HD23 LEU A 48 -3.877 6.050 -9.743 1.00 5.23 H new ATOM 777 N GLY A 49 -2.901 1.232 -10.946 1.00 53.43 N ATOM 778 CA GLY A 49 -2.751 0.196 -11.945 1.00 14.33 C ATOM 779 C GLY A 49 -1.347 -0.369 -11.979 1.00 63.32 C ATOM 780 O GLY A 49 -0.999 -1.137 -12.875 1.00 34.44 O ATOM 0 H GLY A 49 -2.407 1.058 -10.070 1.00 53.43 H new ATOM 0 HA2 GLY A 49 -3.459 -0.607 -11.741 1.00 14.33 H new ATOM 0 HA3 GLY A 49 -3.001 0.601 -12.926 1.00 14.33 H new ATOM 784 N ASP A 50 -0.527 0.020 -11.011 1.00 2.24 N ATOM 785 CA ASP A 50 0.822 -0.517 -10.909 1.00 2.35 C ATOM 786 C ASP A 50 0.861 -1.574 -9.820 1.00 34.20 C ATOM 787 O ASP A 50 0.927 -1.260 -8.628 1.00 62.00 O ATOM 788 CB ASP A 50 1.840 0.581 -10.603 1.00 3.13 C ATOM 789 CG ASP A 50 3.262 0.135 -10.890 1.00 22.32 C ATOM 790 OD1 ASP A 50 3.708 -0.887 -10.322 1.00 25.24 O ATOM 791 OD2 ASP A 50 3.937 0.796 -11.707 1.00 41.42 O ATOM 0 H ASP A 50 -0.771 0.700 -10.291 1.00 2.24 H new ATOM 0 HA ASP A 50 1.088 -0.960 -11.869 1.00 2.35 H new ATOM 0 HB2 ASP A 50 1.610 1.464 -11.199 1.00 3.13 H new ATOM 0 HB3 ASP A 50 1.756 0.872 -9.556 1.00 3.13 H new ATOM 796 N TRP A 51 0.808 -2.824 -10.234 1.00 50.21 N ATOM 797 CA TRP A 51 0.713 -3.930 -9.299 1.00 30.53 C ATOM 798 C TRP A 51 2.065 -4.228 -8.667 1.00 70.03 C ATOM 799 O TRP A 51 2.135 -4.638 -7.510 1.00 53.11 O ATOM 800 CB TRP A 51 0.173 -5.168 -10.007 1.00 23.20 C ATOM 801 CG TRP A 51 -1.118 -4.911 -10.723 1.00 15.20 C ATOM 802 CD1 TRP A 51 -1.292 -4.770 -12.069 1.00 72.24 C ATOM 803 CD2 TRP A 51 -2.410 -4.748 -10.130 1.00 60.21 C ATOM 804 NE1 TRP A 51 -2.616 -4.529 -12.350 1.00 1.20 N ATOM 805 CE2 TRP A 51 -3.323 -4.513 -11.176 1.00 45.44 C ATOM 806 CE3 TRP A 51 -2.885 -4.781 -8.818 1.00 24.42 C ATOM 807 CZ2 TRP A 51 -4.682 -4.312 -10.945 1.00 73.12 C ATOM 808 CZ3 TRP A 51 -4.230 -4.582 -8.590 1.00 51.15 C ATOM 809 CH2 TRP A 51 -5.116 -4.351 -9.649 1.00 3.13 C ATOM 0 H TRP A 51 0.829 -3.101 -11.215 1.00 50.21 H new ATOM 0 HA TRP A 51 0.024 -3.648 -8.503 1.00 30.53 H new ATOM 0 HB2 TRP A 51 0.915 -5.525 -10.722 1.00 23.20 H new ATOM 0 HB3 TRP A 51 0.026 -5.963 -9.276 1.00 23.20 H new ATOM 0 HD1 TRP A 51 -0.505 -4.838 -12.806 1.00 72.24 H new ATOM 0 HE1 TRP A 51 -3.008 -4.385 -13.281 1.00 1.20 H new ATOM 0 HE3 TRP A 51 -2.210 -4.960 -7.994 1.00 24.42 H new ATOM 0 HZ2 TRP A 51 -5.368 -4.132 -11.760 1.00 73.12 H new ATOM 0 HZ3 TRP A 51 -4.606 -4.605 -7.578 1.00 51.15 H new ATOM 0 HH2 TRP A 51 -6.164 -4.200 -9.438 1.00 3.13 H new ATOM 820 N GLN A 52 3.135 -3.997 -9.420 1.00 20.33 N ATOM 821 CA GLN A 52 4.479 -4.259 -8.926 1.00 73.21 C ATOM 822 C GLN A 52 4.782 -3.375 -7.719 1.00 2.32 C ATOM 823 O GLN A 52 5.331 -3.844 -6.717 1.00 62.00 O ATOM 824 CB GLN A 52 5.517 -4.020 -10.023 1.00 43.51 C ATOM 825 CG GLN A 52 6.917 -4.467 -9.639 1.00 13.44 C ATOM 826 CD GLN A 52 7.007 -5.964 -9.423 1.00 62.11 C ATOM 827 OE1 GLN A 52 7.306 -6.720 -10.349 1.00 2.41 O ATOM 828 NE2 GLN A 52 6.744 -6.404 -8.204 1.00 20.14 N ATOM 0 H GLN A 52 3.097 -3.630 -10.371 1.00 20.33 H new ATOM 0 HA GLN A 52 4.531 -5.304 -8.622 1.00 73.21 H new ATOM 0 HB2 GLN A 52 5.210 -4.549 -10.925 1.00 43.51 H new ATOM 0 HB3 GLN A 52 5.537 -2.958 -10.268 1.00 43.51 H new ATOM 0 HG2 GLN A 52 7.617 -4.173 -10.421 1.00 13.44 H new ATOM 0 HG3 GLN A 52 7.223 -3.952 -8.728 1.00 13.44 H new ATOM 0 HE21 GLN A 52 6.500 -5.744 -7.465 1.00 20.14 H new ATOM 0 HE22 GLN A 52 6.785 -7.403 -8.003 1.00 20.14 H new ATOM 837 N LYS A 53 4.412 -2.102 -7.818 1.00 0.03 N ATOM 838 CA LYS A 53 4.572 -1.168 -6.709 1.00 32.45 C ATOM 839 C LYS A 53 3.727 -1.606 -5.520 1.00 30.13 C ATOM 840 O LYS A 53 4.188 -1.584 -4.378 1.00 40.00 O ATOM 841 CB LYS A 53 4.169 0.247 -7.123 1.00 70.02 C ATOM 842 CG LYS A 53 5.136 0.914 -8.083 1.00 24.30 C ATOM 843 CD LYS A 53 6.500 1.117 -7.452 1.00 43.23 C ATOM 844 CE LYS A 53 7.425 1.875 -8.384 1.00 33.35 C ATOM 845 NZ LYS A 53 8.826 1.897 -7.890 1.00 13.23 N ATOM 0 H LYS A 53 3.999 -1.693 -8.656 1.00 0.03 H new ATOM 0 HA LYS A 53 5.624 -1.166 -6.425 1.00 32.45 H new ATOM 0 HB2 LYS A 53 3.183 0.211 -7.585 1.00 70.02 H new ATOM 0 HB3 LYS A 53 4.079 0.863 -6.229 1.00 70.02 H new ATOM 0 HG2 LYS A 53 5.237 0.304 -8.981 1.00 24.30 H new ATOM 0 HG3 LYS A 53 4.733 1.877 -8.396 1.00 24.30 H new ATOM 0 HD2 LYS A 53 6.393 1.665 -6.516 1.00 43.23 H new ATOM 0 HD3 LYS A 53 6.938 0.150 -7.207 1.00 43.23 H new ATOM 0 HE2 LYS A 53 7.397 1.416 -9.372 1.00 33.35 H new ATOM 0 HE3 LYS A 53 7.065 2.898 -8.497 1.00 33.35 H new ATOM 0 HZ1 LYS A 53 9.422 2.426 -8.559 1.00 13.23 H new ATOM 0 HZ2 LYS A 53 8.858 2.358 -6.958 1.00 13.23 H new ATOM 0 HZ3 LYS A 53 9.180 0.923 -7.807 1.00 13.23 H new ATOM 859 N ALA A 54 2.492 -2.010 -5.800 1.00 61.24 N ATOM 860 CA ALA A 54 1.569 -2.448 -4.760 1.00 14.20 C ATOM 861 C ALA A 54 2.154 -3.612 -3.972 1.00 5.20 C ATOM 862 O ALA A 54 2.149 -3.604 -2.742 1.00 63.43 O ATOM 863 CB ALA A 54 0.229 -2.835 -5.371 1.00 42.51 C ATOM 0 H ALA A 54 2.106 -2.043 -6.744 1.00 61.24 H new ATOM 0 HA ALA A 54 1.410 -1.619 -4.071 1.00 14.20 H new ATOM 0 HB1 ALA A 54 -0.450 -3.160 -4.583 1.00 42.51 H new ATOM 0 HB2 ALA A 54 -0.198 -1.975 -5.886 1.00 42.51 H new ATOM 0 HB3 ALA A 54 0.375 -3.648 -6.082 1.00 42.51 H new ATOM 869 N LEU A 55 2.689 -4.592 -4.693 1.00 60.11 N ATOM 870 CA LEU A 55 3.261 -5.788 -4.080 1.00 43.11 C ATOM 871 C LEU A 55 4.402 -5.439 -3.128 1.00 21.53 C ATOM 872 O LEU A 55 4.463 -5.954 -2.012 1.00 75.23 O ATOM 873 CB LEU A 55 3.766 -6.743 -5.160 1.00 71.22 C ATOM 874 CG LEU A 55 2.698 -7.238 -6.134 1.00 54.15 C ATOM 875 CD1 LEU A 55 3.336 -8.044 -7.254 1.00 20.21 C ATOM 876 CD2 LEU A 55 1.648 -8.061 -5.402 1.00 64.12 C ATOM 0 H LEU A 55 2.739 -4.581 -5.712 1.00 60.11 H new ATOM 0 HA LEU A 55 2.473 -6.273 -3.503 1.00 43.11 H new ATOM 0 HB2 LEU A 55 4.551 -6.243 -5.728 1.00 71.22 H new ATOM 0 HB3 LEU A 55 4.223 -7.606 -4.676 1.00 71.22 H new ATOM 0 HG LEU A 55 2.202 -6.374 -6.576 1.00 54.15 H new ATOM 0 HD11 LEU A 55 2.562 -8.390 -7.940 1.00 20.21 H new ATOM 0 HD12 LEU A 55 4.046 -7.418 -7.794 1.00 20.21 H new ATOM 0 HD13 LEU A 55 3.858 -8.903 -6.832 1.00 20.21 H new ATOM 0 HD21 LEU A 55 0.896 -8.405 -6.112 1.00 64.12 H new ATOM 0 HD22 LEU A 55 2.123 -8.922 -4.931 1.00 64.12 H new ATOM 0 HD23 LEU A 55 1.172 -7.447 -4.638 1.00 64.12 H new ATOM 888 N ASN A 56 5.295 -4.560 -3.576 1.00 35.34 N ATOM 889 CA ASN A 56 6.455 -4.163 -2.776 1.00 5.25 C ATOM 890 C ASN A 56 6.029 -3.432 -1.514 1.00 54.43 C ATOM 891 O ASN A 56 6.574 -3.664 -0.434 1.00 45.11 O ATOM 892 CB ASN A 56 7.403 -3.272 -3.585 1.00 23.32 C ATOM 893 CG ASN A 56 8.155 -4.036 -4.656 1.00 2.22 C ATOM 894 OD1 ASN A 56 8.438 -5.225 -4.504 1.00 13.13 O ATOM 895 ND2 ASN A 56 8.491 -3.359 -5.741 1.00 31.40 N ATOM 0 H ASN A 56 5.239 -4.108 -4.489 1.00 35.34 H new ATOM 0 HA ASN A 56 6.979 -5.076 -2.495 1.00 5.25 H new ATOM 0 HB2 ASN A 56 6.831 -2.470 -4.051 1.00 23.32 H new ATOM 0 HB3 ASN A 56 8.118 -2.803 -2.910 1.00 23.32 H new ATOM 0 HD21 ASN A 56 9.004 -3.821 -6.492 1.00 31.40 H new ATOM 0 HD22 ASN A 56 8.237 -2.375 -5.827 1.00 31.40 H new ATOM 902 N ASN A 57 5.046 -2.553 -1.651 1.00 53.23 N ATOM 903 CA ASN A 57 4.562 -1.777 -0.518 1.00 61.00 C ATOM 904 C ASN A 57 3.782 -2.660 0.450 1.00 41.54 C ATOM 905 O ASN A 57 3.932 -2.537 1.667 1.00 44.30 O ATOM 906 CB ASN A 57 3.712 -0.594 -0.989 1.00 21.51 C ATOM 907 CG ASN A 57 4.555 0.548 -1.530 1.00 42.30 C ATOM 908 OD1 ASN A 57 4.958 1.440 -0.789 1.00 33.44 O ATOM 909 ND2 ASN A 57 4.833 0.530 -2.826 1.00 64.42 N ATOM 0 H ASN A 57 4.570 -2.360 -2.532 1.00 53.23 H new ATOM 0 HA ASN A 57 5.426 -1.378 0.013 1.00 61.00 H new ATOM 0 HB2 ASN A 57 3.023 -0.931 -1.763 1.00 21.51 H new ATOM 0 HB3 ASN A 57 3.106 -0.232 -0.158 1.00 21.51 H new ATOM 0 HD21 ASN A 57 5.398 1.273 -3.237 1.00 64.42 H new ATOM 0 HD22 ASN A 57 4.482 -0.227 -3.413 1.00 64.42 H new ATOM 916 N TYR A 58 2.971 -3.570 -0.087 1.00 31.41 N ATOM 917 CA TYR A 58 2.271 -4.546 0.745 1.00 64.04 C ATOM 918 C TYR A 58 3.278 -5.388 1.517 1.00 55.54 C ATOM 919 O TYR A 58 3.148 -5.580 2.723 1.00 61.53 O ATOM 920 CB TYR A 58 1.376 -5.467 -0.092 1.00 54.14 C ATOM 921 CG TYR A 58 0.121 -4.814 -0.630 1.00 44.44 C ATOM 922 CD1 TYR A 58 -0.559 -3.847 0.103 1.00 4.31 C ATOM 923 CD2 TYR A 58 -0.395 -5.182 -1.866 1.00 21.23 C ATOM 924 CE1 TYR A 58 -1.716 -3.268 -0.385 1.00 4.42 C ATOM 925 CE2 TYR A 58 -1.546 -4.605 -2.360 1.00 13.42 C ATOM 926 CZ TYR A 58 -2.203 -3.651 -1.618 1.00 24.34 C ATOM 927 OH TYR A 58 -3.357 -3.087 -2.107 1.00 3.35 O ATOM 0 H TYR A 58 2.784 -3.652 -1.086 1.00 31.41 H new ATOM 0 HA TYR A 58 1.637 -3.993 1.438 1.00 64.04 H new ATOM 0 HB2 TYR A 58 1.957 -5.851 -0.930 1.00 54.14 H new ATOM 0 HB3 TYR A 58 1.090 -6.324 0.517 1.00 54.14 H new ATOM 0 HD1 TYR A 58 -0.178 -3.544 1.067 1.00 4.31 H new ATOM 0 HD2 TYR A 58 0.114 -5.934 -2.451 1.00 21.23 H new ATOM 0 HE1 TYR A 58 -2.236 -2.520 0.196 1.00 4.42 H new ATOM 0 HE2 TYR A 58 -1.930 -4.901 -3.325 1.00 13.42 H new ATOM 0 HH TYR A 58 -3.830 -2.628 -1.381 1.00 3.35 H new ATOM 937 N GLN A 59 4.295 -5.869 0.807 1.00 62.51 N ATOM 938 CA GLN A 59 5.339 -6.691 1.407 1.00 74.41 C ATOM 939 C GLN A 59 6.032 -5.947 2.547 1.00 62.51 C ATOM 940 O GLN A 59 6.315 -6.527 3.594 1.00 4.02 O ATOM 941 CB GLN A 59 6.365 -7.102 0.346 1.00 50.15 C ATOM 942 CG GLN A 59 7.509 -7.952 0.885 1.00 24.54 C ATOM 943 CD GLN A 59 7.043 -9.278 1.454 1.00 44.03 C ATOM 944 OE1 GLN A 59 6.964 -10.278 0.746 1.00 72.14 O ATOM 945 NE2 GLN A 59 6.733 -9.291 2.740 1.00 63.42 N ATOM 0 H GLN A 59 4.417 -5.701 -0.192 1.00 62.51 H new ATOM 0 HA GLN A 59 4.873 -7.587 1.817 1.00 74.41 H new ATOM 0 HB2 GLN A 59 5.855 -7.656 -0.442 1.00 50.15 H new ATOM 0 HB3 GLN A 59 6.778 -6.203 -0.112 1.00 50.15 H new ATOM 0 HG2 GLN A 59 8.225 -8.138 0.085 1.00 24.54 H new ATOM 0 HG3 GLN A 59 8.035 -7.395 1.660 1.00 24.54 H new ATOM 0 HE21 GLN A 59 6.813 -8.437 3.293 1.00 63.42 H new ATOM 0 HE22 GLN A 59 6.414 -10.155 3.179 1.00 63.42 H new ATOM 954 N SER A 60 6.283 -4.663 2.338 1.00 12.22 N ATOM 955 CA SER A 60 6.938 -3.836 3.341 1.00 15.24 C ATOM 956 C SER A 60 6.100 -3.755 4.620 1.00 25.25 C ATOM 957 O SER A 60 6.642 -3.763 5.728 1.00 74.23 O ATOM 958 CB SER A 60 7.202 -2.438 2.773 1.00 12.34 C ATOM 959 OG SER A 60 8.021 -2.503 1.612 1.00 41.43 O ATOM 0 H SER A 60 6.042 -4.169 1.479 1.00 12.22 H new ATOM 0 HA SER A 60 7.892 -4.295 3.601 1.00 15.24 H new ATOM 0 HB2 SER A 60 6.255 -1.957 2.527 1.00 12.34 H new ATOM 0 HB3 SER A 60 7.686 -1.820 3.529 1.00 12.34 H new ATOM 0 HG SER A 60 7.503 -2.871 0.866 1.00 41.43 H new ATOM 965 N ALA A 61 4.781 -3.696 4.466 1.00 24.11 N ATOM 966 CA ALA A 61 3.882 -3.690 5.612 1.00 53.35 C ATOM 967 C ALA A 61 3.889 -5.047 6.306 1.00 75.13 C ATOM 968 O ALA A 61 3.910 -5.126 7.534 1.00 63.44 O ATOM 969 CB ALA A 61 2.473 -3.327 5.178 1.00 34.21 C ATOM 0 H ALA A 61 4.313 -3.652 3.561 1.00 24.11 H new ATOM 0 HA ALA A 61 4.233 -2.939 6.320 1.00 53.35 H new ATOM 0 HB1 ALA A 61 1.814 -3.327 6.046 1.00 34.21 H new ATOM 0 HB2 ALA A 61 2.476 -2.336 4.724 1.00 34.21 H new ATOM 0 HB3 ALA A 61 2.117 -4.057 4.452 1.00 34.21 H new ATOM 975 N ILE A 62 3.889 -6.111 5.509 1.00 44.15 N ATOM 976 CA ILE A 62 3.901 -7.478 6.030 1.00 72.21 C ATOM 977 C ILE A 62 5.137 -7.730 6.892 1.00 20.53 C ATOM 978 O ILE A 62 5.061 -8.396 7.926 1.00 51.02 O ATOM 979 CB ILE A 62 3.862 -8.519 4.886 1.00 14.31 C ATOM 980 CG1 ILE A 62 2.612 -8.317 4.025 1.00 54.42 C ATOM 981 CG2 ILE A 62 3.906 -9.942 5.443 1.00 1.34 C ATOM 982 CD1 ILE A 62 2.535 -9.246 2.829 1.00 70.22 C ATOM 0 H ILE A 62 3.881 -6.054 4.491 1.00 44.15 H new ATOM 0 HA ILE A 62 3.006 -7.589 6.643 1.00 72.21 H new ATOM 0 HB ILE A 62 4.743 -8.373 4.261 1.00 14.31 H new ATOM 0 HG12 ILE A 62 1.728 -8.464 4.645 1.00 54.42 H new ATOM 0 HG13 ILE A 62 2.587 -7.285 3.674 1.00 54.42 H new ATOM 0 HG21 ILE A 62 3.877 -10.656 4.620 1.00 1.34 H new ATOM 0 HG22 ILE A 62 4.825 -10.081 6.013 1.00 1.34 H new ATOM 0 HG23 ILE A 62 3.047 -10.105 6.094 1.00 1.34 H new ATOM 0 HD11 ILE A 62 1.623 -9.043 2.268 1.00 70.22 H new ATOM 0 HD12 ILE A 62 3.400 -9.084 2.186 1.00 70.22 H new ATOM 0 HD13 ILE A 62 2.527 -10.281 3.172 1.00 70.22 H new ATOM 994 N GLU A 63 6.274 -7.191 6.463 1.00 31.42 N ATOM 995 CA GLU A 63 7.525 -7.355 7.196 1.00 40.22 C ATOM 996 C GLU A 63 7.425 -6.743 8.590 1.00 41.41 C ATOM 997 O GLU A 63 7.911 -7.310 9.565 1.00 11.41 O ATOM 998 CB GLU A 63 8.681 -6.708 6.435 1.00 45.35 C ATOM 999 CG GLU A 63 8.927 -7.308 5.063 1.00 61.01 C ATOM 1000 CD GLU A 63 10.063 -6.627 4.333 1.00 54.23 C ATOM 1001 OE1 GLU A 63 9.936 -5.425 4.015 1.00 1.13 O ATOM 1002 OE2 GLU A 63 11.097 -7.282 4.086 1.00 24.31 O ATOM 0 H GLU A 63 6.355 -6.636 5.611 1.00 31.42 H new ATOM 0 HA GLU A 63 7.715 -8.424 7.295 1.00 40.22 H new ATOM 0 HB2 GLU A 63 8.479 -5.643 6.324 1.00 45.35 H new ATOM 0 HB3 GLU A 63 9.590 -6.799 7.029 1.00 45.35 H new ATOM 0 HG2 GLU A 63 9.151 -8.370 5.168 1.00 61.01 H new ATOM 0 HG3 GLU A 63 8.018 -7.231 4.467 1.00 61.01 H new ATOM 1009 N LEU A 64 6.767 -5.595 8.678 1.00 64.42 N ATOM 1010 CA LEU A 64 6.659 -4.874 9.940 1.00 2.00 C ATOM 1011 C LEU A 64 5.521 -5.422 10.795 1.00 74.45 C ATOM 1012 O LEU A 64 5.616 -5.456 12.022 1.00 34.20 O ATOM 1013 CB LEU A 64 6.447 -3.381 9.677 1.00 43.54 C ATOM 1014 CG LEU A 64 7.552 -2.702 8.864 1.00 14.12 C ATOM 1015 CD1 LEU A 64 7.219 -1.239 8.634 1.00 21.22 C ATOM 1016 CD2 LEU A 64 8.897 -2.837 9.564 1.00 25.21 C ATOM 0 H LEU A 64 6.300 -5.143 7.892 1.00 64.42 H new ATOM 0 HA LEU A 64 7.591 -5.013 10.488 1.00 2.00 H new ATOM 0 HB2 LEU A 64 5.500 -3.251 9.153 1.00 43.54 H new ATOM 0 HB3 LEU A 64 6.355 -2.869 10.635 1.00 43.54 H new ATOM 0 HG LEU A 64 7.619 -3.199 7.896 1.00 14.12 H new ATOM 0 HD11 LEU A 64 8.015 -0.771 8.055 1.00 21.22 H new ATOM 0 HD12 LEU A 64 6.279 -1.161 8.088 1.00 21.22 H new ATOM 0 HD13 LEU A 64 7.124 -0.732 9.594 1.00 21.22 H new ATOM 0 HD21 LEU A 64 9.668 -2.347 8.969 1.00 25.21 H new ATOM 0 HD22 LEU A 64 8.845 -2.368 10.546 1.00 25.21 H new ATOM 0 HD23 LEU A 64 9.143 -3.893 9.679 1.00 25.21 H new ATOM 1028 N ASN A 65 4.448 -5.848 10.147 1.00 64.44 N ATOM 1029 CA ASN A 65 3.285 -6.375 10.852 1.00 44.42 C ATOM 1030 C ASN A 65 2.646 -7.498 10.036 1.00 1.30 C ATOM 1031 O ASN A 65 2.027 -7.251 9.000 1.00 30.03 O ATOM 1032 CB ASN A 65 2.278 -5.248 11.117 1.00 73.33 C ATOM 1033 CG ASN A 65 1.149 -5.645 12.053 1.00 35.32 C ATOM 1034 OD1 ASN A 65 0.694 -6.790 12.065 1.00 3.20 O ATOM 1035 ND2 ASN A 65 0.696 -4.696 12.858 1.00 2.12 N ATOM 0 H ASN A 65 4.356 -5.840 9.131 1.00 64.44 H new ATOM 0 HA ASN A 65 3.600 -6.785 11.812 1.00 44.42 H new ATOM 0 HB2 ASN A 65 2.806 -4.393 11.541 1.00 73.33 H new ATOM 0 HB3 ASN A 65 1.853 -4.922 10.168 1.00 73.33 H new ATOM 0 HD21 ASN A 65 -0.055 -4.902 13.517 1.00 2.12 H new ATOM 0 HD22 ASN A 65 1.098 -3.759 12.819 1.00 2.12 H new ATOM 1042 N PRO A 66 2.795 -8.751 10.498 1.00 14.41 N ATOM 1043 CA PRO A 66 2.301 -9.932 9.782 1.00 3.24 C ATOM 1044 C PRO A 66 0.800 -10.159 9.960 1.00 14.50 C ATOM 1045 O PRO A 66 0.245 -11.133 9.456 1.00 44.42 O ATOM 1046 CB PRO A 66 3.093 -11.072 10.418 1.00 31.55 C ATOM 1047 CG PRO A 66 3.353 -10.617 11.813 1.00 30.12 C ATOM 1048 CD PRO A 66 3.477 -9.116 11.756 1.00 34.21 C ATOM 0 HA PRO A 66 2.435 -9.837 8.704 1.00 3.24 H new ATOM 0 HB2 PRO A 66 2.527 -12.004 10.404 1.00 31.55 H new ATOM 0 HB3 PRO A 66 4.024 -11.256 9.881 1.00 31.55 H new ATOM 0 HG2 PRO A 66 2.541 -10.914 12.476 1.00 30.12 H new ATOM 0 HG3 PRO A 66 4.265 -11.067 12.205 1.00 30.12 H new ATOM 0 HD2 PRO A 66 3.006 -8.643 12.618 1.00 34.21 H new ATOM 0 HD3 PRO A 66 4.521 -8.801 11.751 1.00 34.21 H new ATOM 1056 N ASP A 67 0.151 -9.262 10.683 1.00 13.30 N ATOM 1057 CA ASP A 67 -1.288 -9.352 10.896 1.00 4.11 C ATOM 1058 C ASP A 67 -2.012 -8.266 10.117 1.00 50.43 C ATOM 1059 O ASP A 67 -3.227 -8.106 10.232 1.00 44.41 O ATOM 1060 CB ASP A 67 -1.624 -9.237 12.385 1.00 63.52 C ATOM 1061 CG ASP A 67 -1.271 -10.488 13.163 1.00 61.43 C ATOM 1062 OD1 ASP A 67 -0.092 -10.650 13.540 1.00 21.40 O ATOM 1063 OD2 ASP A 67 -2.177 -11.316 13.404 1.00 2.52 O ATOM 0 H ASP A 67 0.596 -8.462 11.133 1.00 13.30 H new ATOM 0 HA ASP A 67 -1.621 -10.326 10.537 1.00 4.11 H new ATOM 0 HB2 ASP A 67 -1.089 -8.387 12.809 1.00 63.52 H new ATOM 0 HB3 ASP A 67 -2.689 -9.032 12.498 1.00 63.52 H new ATOM 1068 N SER A 68 -1.260 -7.530 9.314 1.00 14.20 N ATOM 1069 CA SER A 68 -1.815 -6.429 8.545 1.00 1.25 C ATOM 1070 C SER A 68 -2.694 -6.948 7.404 1.00 44.31 C ATOM 1071 O SER A 68 -2.553 -8.094 6.967 1.00 71.40 O ATOM 1072 CB SER A 68 -0.677 -5.561 7.993 1.00 43.12 C ATOM 1073 OG SER A 68 0.217 -6.331 7.209 1.00 25.41 O ATOM 0 H SER A 68 -0.260 -7.677 9.178 1.00 14.20 H new ATOM 0 HA SER A 68 -2.441 -5.824 9.201 1.00 1.25 H new ATOM 0 HB2 SER A 68 -1.091 -4.753 7.390 1.00 43.12 H new ATOM 0 HB3 SER A 68 -0.136 -5.098 8.818 1.00 43.12 H new ATOM 0 HG SER A 68 0.898 -6.733 7.789 1.00 25.41 H new ATOM 1079 N PRO A 69 -3.623 -6.113 6.908 1.00 11.34 N ATOM 1080 CA PRO A 69 -4.477 -6.465 5.769 1.00 12.52 C ATOM 1081 C PRO A 69 -3.684 -6.540 4.465 1.00 54.23 C ATOM 1082 O PRO A 69 -4.201 -6.966 3.431 1.00 71.21 O ATOM 1083 CB PRO A 69 -5.505 -5.326 5.705 1.00 22.44 C ATOM 1084 CG PRO A 69 -5.360 -4.578 6.990 1.00 23.24 C ATOM 1085 CD PRO A 69 -3.940 -4.774 7.428 1.00 51.30 C ATOM 0 HA PRO A 69 -4.932 -7.448 5.894 1.00 12.52 H new ATOM 0 HB2 PRO A 69 -5.317 -4.676 4.850 1.00 22.44 H new ATOM 0 HB3 PRO A 69 -6.516 -5.717 5.592 1.00 22.44 H new ATOM 0 HG2 PRO A 69 -5.583 -3.520 6.852 1.00 23.24 H new ATOM 0 HG3 PRO A 69 -6.055 -4.955 7.741 1.00 23.24 H new ATOM 0 HD2 PRO A 69 -3.280 -4.012 7.014 1.00 51.30 H new ATOM 0 HD3 PRO A 69 -3.841 -4.727 8.512 1.00 51.30 H new ATOM 1093 N ALA A 70 -2.418 -6.133 4.532 1.00 10.13 N ATOM 1094 CA ALA A 70 -1.534 -6.140 3.374 1.00 24.12 C ATOM 1095 C ALA A 70 -1.340 -7.556 2.848 1.00 31.44 C ATOM 1096 O ALA A 70 -1.111 -7.759 1.655 1.00 23.20 O ATOM 1097 CB ALA A 70 -0.195 -5.519 3.732 1.00 31.22 C ATOM 0 H ALA A 70 -1.980 -5.791 5.387 1.00 10.13 H new ATOM 0 HA ALA A 70 -1.997 -5.546 2.586 1.00 24.12 H new ATOM 0 HB1 ALA A 70 0.457 -5.530 2.858 1.00 31.22 H new ATOM 0 HB2 ALA A 70 -0.347 -4.490 4.058 1.00 31.22 H new ATOM 0 HB3 ALA A 70 0.268 -6.090 4.537 1.00 31.22 H new ATOM 1103 N LEU A 71 -1.444 -8.532 3.744 1.00 63.41 N ATOM 1104 CA LEU A 71 -1.354 -9.935 3.366 1.00 21.32 C ATOM 1105 C LEU A 71 -2.485 -10.310 2.425 1.00 21.53 C ATOM 1106 O LEU A 71 -2.260 -10.856 1.343 1.00 34.13 O ATOM 1107 CB LEU A 71 -1.418 -10.829 4.604 1.00 75.52 C ATOM 1108 CG LEU A 71 -0.112 -10.973 5.393 1.00 40.22 C ATOM 1109 CD1 LEU A 71 0.178 -9.720 6.204 1.00 22.11 C ATOM 1110 CD2 LEU A 71 -0.175 -12.193 6.295 1.00 4.31 C ATOM 0 H LEU A 71 -1.591 -8.374 4.741 1.00 63.41 H new ATOM 0 HA LEU A 71 -0.400 -10.083 2.860 1.00 21.32 H new ATOM 0 HB2 LEU A 71 -2.183 -10.436 5.273 1.00 75.52 H new ATOM 0 HB3 LEU A 71 -1.745 -11.822 4.295 1.00 75.52 H new ATOM 0 HG LEU A 71 0.704 -11.106 4.682 1.00 40.22 H new ATOM 0 HD11 LEU A 71 1.110 -9.850 6.754 1.00 22.11 H new ATOM 0 HD12 LEU A 71 0.268 -8.865 5.533 1.00 22.11 H new ATOM 0 HD13 LEU A 71 -0.636 -9.545 6.907 1.00 22.11 H new ATOM 0 HD21 LEU A 71 0.759 -12.284 6.850 1.00 4.31 H new ATOM 0 HD22 LEU A 71 -1.004 -12.086 6.995 1.00 4.31 H new ATOM 0 HD23 LEU A 71 -0.325 -13.086 5.689 1.00 4.31 H new ATOM 1122 N GLN A 72 -3.702 -9.996 2.850 1.00 12.51 N ATOM 1123 CA GLN A 72 -4.900 -10.306 2.079 1.00 54.23 C ATOM 1124 C GLN A 72 -4.844 -9.610 0.726 1.00 11.32 C ATOM 1125 O GLN A 72 -5.163 -10.194 -0.311 1.00 21.51 O ATOM 1126 CB GLN A 72 -6.149 -9.834 2.831 1.00 34.20 C ATOM 1127 CG GLN A 72 -6.191 -10.223 4.301 1.00 3.21 C ATOM 1128 CD GLN A 72 -6.225 -11.719 4.523 1.00 21.11 C ATOM 1129 OE1 GLN A 72 -6.727 -12.475 3.693 1.00 5.32 O ATOM 1130 NE2 GLN A 72 -5.706 -12.153 5.657 1.00 23.42 N ATOM 0 H GLN A 72 -3.887 -9.522 3.734 1.00 12.51 H new ATOM 0 HA GLN A 72 -4.948 -11.385 1.935 1.00 54.23 H new ATOM 0 HB2 GLN A 72 -6.214 -8.749 2.754 1.00 34.20 H new ATOM 0 HB3 GLN A 72 -7.030 -10.242 2.336 1.00 34.20 H new ATOM 0 HG2 GLN A 72 -5.318 -9.808 4.805 1.00 3.21 H new ATOM 0 HG3 GLN A 72 -7.070 -9.774 4.764 1.00 3.21 H new ATOM 0 HE21 GLN A 72 -5.299 -11.491 6.318 1.00 23.42 H new ATOM 0 HE22 GLN A 72 -5.712 -13.150 5.872 1.00 23.42 H new ATOM 1139 N ALA A 73 -4.410 -8.359 0.758 1.00 33.41 N ATOM 1140 CA ALA A 73 -4.370 -7.523 -0.431 1.00 3.10 C ATOM 1141 C ALA A 73 -3.307 -8.005 -1.411 1.00 11.21 C ATOM 1142 O ALA A 73 -3.487 -7.930 -2.623 1.00 11.44 O ATOM 1143 CB ALA A 73 -4.123 -6.076 -0.040 1.00 55.20 C ATOM 0 H ALA A 73 -4.077 -7.897 1.604 1.00 33.41 H new ATOM 0 HA ALA A 73 -5.335 -7.594 -0.932 1.00 3.10 H new ATOM 0 HB1 ALA A 73 -4.094 -5.457 -0.936 1.00 55.20 H new ATOM 0 HB2 ALA A 73 -4.926 -5.733 0.612 1.00 55.20 H new ATOM 0 HB3 ALA A 73 -3.171 -5.998 0.485 1.00 55.20 H new ATOM 1149 N ARG A 74 -2.204 -8.513 -0.883 1.00 14.11 N ATOM 1150 CA ARG A 74 -1.123 -9.002 -1.726 1.00 51.32 C ATOM 1151 C ARG A 74 -1.540 -10.295 -2.427 1.00 62.41 C ATOM 1152 O ARG A 74 -1.164 -10.538 -3.575 1.00 41.41 O ATOM 1153 CB ARG A 74 0.142 -9.222 -0.896 1.00 53.42 C ATOM 1154 CG ARG A 74 1.387 -9.473 -1.729 1.00 41.35 C ATOM 1155 CD ARG A 74 2.612 -9.630 -0.847 1.00 62.30 C ATOM 1156 NE ARG A 74 3.830 -9.864 -1.622 1.00 30.23 N ATOM 1157 CZ ARG A 74 4.598 -10.944 -1.479 1.00 44.12 C ATOM 1158 NH1 ARG A 74 4.252 -11.893 -0.620 1.00 11.11 N ATOM 1159 NH2 ARG A 74 5.706 -11.071 -2.194 1.00 32.04 N ATOM 0 H ARG A 74 -2.034 -8.597 0.119 1.00 14.11 H new ATOM 0 HA ARG A 74 -0.907 -8.252 -2.487 1.00 51.32 H new ATOM 0 HB2 ARG A 74 0.308 -8.348 -0.266 1.00 53.42 H new ATOM 0 HB3 ARG A 74 -0.015 -10.070 -0.230 1.00 53.42 H new ATOM 0 HG2 ARG A 74 1.251 -10.372 -2.331 1.00 41.35 H new ATOM 0 HG3 ARG A 74 1.538 -8.645 -2.422 1.00 41.35 H new ATOM 0 HD2 ARG A 74 2.737 -8.733 -0.240 1.00 62.30 H new ATOM 0 HD3 ARG A 74 2.457 -10.461 -0.159 1.00 62.30 H new ATOM 0 HE ARG A 74 4.107 -9.163 -2.309 1.00 30.23 H new ATOM 0 HH11 ARG A 74 3.399 -11.796 -0.069 1.00 11.11 H new ATOM 0 HH12 ARG A 74 4.839 -12.720 -0.510 1.00 11.11 H new ATOM 0 HH21 ARG A 74 5.973 -10.342 -2.855 1.00 32.04 H new ATOM 0 HH22 ARG A 74 6.292 -11.898 -2.083 1.00 32.04 H new ATOM 1173 N LYS A 75 -2.330 -11.115 -1.734 1.00 32.20 N ATOM 1174 CA LYS A 75 -2.816 -12.374 -2.294 1.00 34.43 C ATOM 1175 C LYS A 75 -3.693 -12.133 -3.518 1.00 23.44 C ATOM 1176 O LYS A 75 -3.488 -12.739 -4.573 1.00 72.32 O ATOM 1177 CB LYS A 75 -3.614 -13.162 -1.253 1.00 22.55 C ATOM 1178 CG LYS A 75 -2.774 -13.700 -0.109 1.00 32.21 C ATOM 1179 CD LYS A 75 -3.608 -14.571 0.814 1.00 53.13 C ATOM 1180 CE LYS A 75 -2.756 -15.213 1.894 1.00 73.22 C ATOM 1181 NZ LYS A 75 -3.539 -16.172 2.714 1.00 52.22 N ATOM 0 H LYS A 75 -2.647 -10.929 -0.783 1.00 32.20 H new ATOM 0 HA LYS A 75 -1.941 -12.952 -2.593 1.00 34.43 H new ATOM 0 HB2 LYS A 75 -4.395 -12.519 -0.846 1.00 22.55 H new ATOM 0 HB3 LYS A 75 -4.113 -13.996 -1.747 1.00 22.55 H new ATOM 0 HG2 LYS A 75 -1.940 -14.279 -0.506 1.00 32.21 H new ATOM 0 HG3 LYS A 75 -2.347 -12.871 0.455 1.00 32.21 H new ATOM 0 HD2 LYS A 75 -4.390 -13.968 1.276 1.00 53.13 H new ATOM 0 HD3 LYS A 75 -4.106 -15.347 0.232 1.00 53.13 H new ATOM 0 HE2 LYS A 75 -1.914 -15.730 1.434 1.00 73.22 H new ATOM 0 HE3 LYS A 75 -2.340 -14.438 2.538 1.00 73.22 H new ATOM 0 HZ1 LYS A 75 -2.924 -16.590 3.441 1.00 52.22 H new ATOM 0 HZ2 LYS A 75 -4.328 -15.673 3.173 1.00 52.22 H new ATOM 0 HZ3 LYS A 75 -3.915 -16.925 2.103 1.00 52.22 H new ATOM 1195 N MET A 76 -4.675 -11.253 -3.369 1.00 53.33 N ATOM 1196 CA MET A 76 -5.601 -10.955 -4.460 1.00 12.12 C ATOM 1197 C MET A 76 -4.877 -10.348 -5.662 1.00 11.02 C ATOM 1198 O MET A 76 -5.214 -10.652 -6.806 1.00 32.21 O ATOM 1199 CB MET A 76 -6.730 -10.027 -4.000 1.00 52.42 C ATOM 1200 CG MET A 76 -6.260 -8.811 -3.223 1.00 74.32 C ATOM 1201 SD MET A 76 -7.342 -7.386 -3.430 1.00 1.04 S ATOM 1202 CE MET A 76 -6.988 -6.970 -5.135 1.00 54.33 C ATOM 0 H MET A 76 -4.852 -10.734 -2.509 1.00 53.33 H new ATOM 0 HA MET A 76 -6.040 -11.903 -4.769 1.00 12.12 H new ATOM 0 HB2 MET A 76 -7.288 -9.692 -4.874 1.00 52.42 H new ATOM 0 HB3 MET A 76 -7.422 -10.596 -3.379 1.00 52.42 H new ATOM 0 HG2 MET A 76 -6.199 -9.064 -2.164 1.00 74.32 H new ATOM 0 HG3 MET A 76 -5.253 -8.546 -3.546 1.00 74.32 H new ATOM 0 HE1 MET A 76 -6.558 -5.970 -5.184 1.00 54.33 H new ATOM 0 HE2 MET A 76 -6.280 -7.690 -5.546 1.00 54.33 H new ATOM 0 HE3 MET A 76 -7.910 -6.997 -5.715 1.00 54.33 H new ATOM 1212 N VAL A 77 -3.877 -9.504 -5.411 1.00 43.23 N ATOM 1213 CA VAL A 77 -3.123 -8.886 -6.500 1.00 71.14 C ATOM 1214 C VAL A 77 -2.372 -9.944 -7.308 1.00 54.02 C ATOM 1215 O VAL A 77 -2.324 -9.878 -8.536 1.00 5.14 O ATOM 1216 CB VAL A 77 -2.132 -7.815 -5.986 1.00 72.40 C ATOM 1217 CG1 VAL A 77 -1.266 -7.288 -7.122 1.00 41.21 C ATOM 1218 CG2 VAL A 77 -2.881 -6.668 -5.324 1.00 75.33 C ATOM 0 H VAL A 77 -3.573 -9.235 -4.475 1.00 43.23 H new ATOM 0 HA VAL A 77 -3.847 -8.389 -7.145 1.00 71.14 H new ATOM 0 HB VAL A 77 -1.483 -8.284 -5.246 1.00 72.40 H new ATOM 0 HG11 VAL A 77 -0.577 -6.536 -6.736 1.00 41.21 H new ATOM 0 HG12 VAL A 77 -0.699 -8.110 -7.558 1.00 41.21 H new ATOM 0 HG13 VAL A 77 -1.901 -6.840 -7.886 1.00 41.21 H new ATOM 0 HG21 VAL A 77 -2.167 -5.925 -4.969 1.00 75.33 H new ATOM 0 HG22 VAL A 77 -3.555 -6.208 -6.047 1.00 75.33 H new ATOM 0 HG23 VAL A 77 -3.458 -7.049 -4.481 1.00 75.33 H new ATOM 1228 N MET A 78 -1.809 -10.931 -6.616 1.00 50.43 N ATOM 1229 CA MET A 78 -1.113 -12.032 -7.278 1.00 62.41 C ATOM 1230 C MET A 78 -2.058 -12.775 -8.214 1.00 22.22 C ATOM 1231 O MET A 78 -1.675 -13.188 -9.309 1.00 71.20 O ATOM 1232 CB MET A 78 -0.540 -13.013 -6.252 1.00 30.51 C ATOM 1233 CG MET A 78 0.592 -12.441 -5.420 1.00 62.41 C ATOM 1234 SD MET A 78 2.012 -11.955 -6.418 1.00 23.35 S ATOM 1235 CE MET A 78 3.144 -11.426 -5.138 1.00 1.15 C ATOM 0 H MET A 78 -1.821 -10.991 -5.598 1.00 50.43 H new ATOM 0 HA MET A 78 -0.293 -11.606 -7.856 1.00 62.41 H new ATOM 0 HB2 MET A 78 -1.340 -13.335 -5.586 1.00 30.51 H new ATOM 0 HB3 MET A 78 -0.182 -13.901 -6.773 1.00 30.51 H new ATOM 0 HG2 MET A 78 0.229 -11.575 -4.866 1.00 62.41 H new ATOM 0 HG3 MET A 78 0.906 -13.181 -4.684 1.00 62.41 H new ATOM 0 HE1 MET A 78 3.796 -10.645 -5.529 1.00 1.15 H new ATOM 0 HE2 MET A 78 2.579 -11.036 -4.291 1.00 1.15 H new ATOM 0 HE3 MET A 78 3.747 -12.274 -4.813 1.00 1.15 H new ATOM 1245 N ASP A 79 -3.296 -12.942 -7.770 1.00 31.32 N ATOM 1246 CA ASP A 79 -4.320 -13.604 -8.571 1.00 13.32 C ATOM 1247 C ASP A 79 -4.654 -12.773 -9.810 1.00 73.04 C ATOM 1248 O ASP A 79 -4.739 -13.300 -10.924 1.00 61.34 O ATOM 1249 CB ASP A 79 -5.575 -13.838 -7.726 1.00 60.31 C ATOM 1250 CG ASP A 79 -6.684 -14.527 -8.498 1.00 63.51 C ATOM 1251 OD1 ASP A 79 -6.484 -15.687 -8.926 1.00 35.52 O ATOM 1252 OD2 ASP A 79 -7.762 -13.919 -8.669 1.00 42.33 O ATOM 0 H ASP A 79 -3.618 -12.627 -6.855 1.00 31.32 H new ATOM 0 HA ASP A 79 -3.936 -14.569 -8.903 1.00 13.32 H new ATOM 0 HB2 ASP A 79 -5.315 -14.442 -6.857 1.00 60.31 H new ATOM 0 HB3 ASP A 79 -5.939 -12.881 -7.352 1.00 60.31 H new ATOM 1257 N ILE A 80 -4.821 -11.470 -9.607 1.00 0.22 N ATOM 1258 CA ILE A 80 -5.082 -10.543 -10.703 1.00 23.23 C ATOM 1259 C ILE A 80 -3.934 -10.566 -11.712 1.00 53.05 C ATOM 1260 O ILE A 80 -4.159 -10.593 -12.925 1.00 1.25 O ATOM 1261 CB ILE A 80 -5.282 -9.101 -10.185 1.00 63.01 C ATOM 1262 CG1 ILE A 80 -6.453 -9.051 -9.205 1.00 3.41 C ATOM 1263 CG2 ILE A 80 -5.522 -8.140 -11.339 1.00 42.34 C ATOM 1264 CD1 ILE A 80 -6.665 -7.690 -8.580 1.00 53.23 C ATOM 0 H ILE A 80 -4.780 -11.030 -8.688 1.00 0.22 H new ATOM 0 HA ILE A 80 -6.000 -10.867 -11.192 1.00 23.23 H new ATOM 0 HB ILE A 80 -4.373 -8.794 -9.668 1.00 63.01 H new ATOM 0 HG12 ILE A 80 -7.364 -9.348 -9.725 1.00 3.41 H new ATOM 0 HG13 ILE A 80 -6.285 -9.782 -8.414 1.00 3.41 H new ATOM 0 HG21 ILE A 80 -5.660 -7.131 -10.950 1.00 42.34 H new ATOM 0 HG22 ILE A 80 -4.663 -8.156 -12.010 1.00 42.34 H new ATOM 0 HG23 ILE A 80 -6.415 -8.443 -11.885 1.00 42.34 H new ATOM 0 HD11 ILE A 80 -7.513 -7.732 -7.896 1.00 53.23 H new ATOM 0 HD12 ILE A 80 -5.770 -7.398 -8.031 1.00 53.23 H new ATOM 0 HD13 ILE A 80 -6.865 -6.958 -9.362 1.00 53.23 H new ATOM 1276 N LEU A 81 -2.706 -10.573 -11.200 1.00 14.21 N ATOM 1277 CA LEU A 81 -1.520 -10.683 -12.045 1.00 33.34 C ATOM 1278 C LEU A 81 -1.586 -11.940 -12.904 1.00 54.20 C ATOM 1279 O LEU A 81 -1.328 -11.889 -14.102 1.00 34.31 O ATOM 1280 CB LEU A 81 -0.246 -10.706 -11.198 1.00 43.42 C ATOM 1281 CG LEU A 81 0.107 -9.388 -10.511 1.00 65.41 C ATOM 1282 CD1 LEU A 81 1.365 -9.551 -9.677 1.00 33.12 C ATOM 1283 CD2 LEU A 81 0.298 -8.287 -11.541 1.00 32.10 C ATOM 0 H LEU A 81 -2.506 -10.504 -10.202 1.00 14.21 H new ATOM 0 HA LEU A 81 -1.494 -9.809 -12.695 1.00 33.34 H new ATOM 0 HB2 LEU A 81 -0.351 -11.477 -10.435 1.00 43.42 H new ATOM 0 HB3 LEU A 81 0.588 -10.999 -11.835 1.00 43.42 H new ATOM 0 HG LEU A 81 -0.716 -9.108 -9.853 1.00 65.41 H new ATOM 0 HD11 LEU A 81 1.606 -8.605 -9.193 1.00 33.12 H new ATOM 0 HD12 LEU A 81 1.202 -10.316 -8.918 1.00 33.12 H new ATOM 0 HD13 LEU A 81 2.192 -9.850 -10.321 1.00 33.12 H new ATOM 0 HD21 LEU A 81 0.549 -7.355 -11.035 1.00 32.10 H new ATOM 0 HD22 LEU A 81 1.106 -8.560 -12.220 1.00 32.10 H new ATOM 0 HD23 LEU A 81 -0.624 -8.155 -12.108 1.00 32.10 H new ATOM 1295 N ASN A 82 -1.958 -13.055 -12.285 1.00 1.53 N ATOM 1296 CA ASN A 82 -2.066 -14.333 -12.989 1.00 0.20 C ATOM 1297 C ASN A 82 -3.056 -14.253 -14.148 1.00 62.23 C ATOM 1298 O ASN A 82 -2.900 -14.949 -15.153 1.00 24.00 O ATOM 1299 CB ASN A 82 -2.479 -15.449 -12.028 1.00 73.03 C ATOM 1300 CG ASN A 82 -1.291 -16.147 -11.387 1.00 21.24 C ATOM 1301 OD1 ASN A 82 -0.797 -17.151 -11.902 1.00 73.51 O ATOM 1302 ND2 ASN A 82 -0.822 -15.626 -10.264 1.00 74.05 N ATOM 0 H ASN A 82 -2.191 -13.102 -11.293 1.00 1.53 H new ATOM 0 HA ASN A 82 -1.081 -14.562 -13.397 1.00 0.20 H new ATOM 0 HB2 ASN A 82 -3.114 -15.032 -11.246 1.00 73.03 H new ATOM 0 HB3 ASN A 82 -3.078 -16.183 -12.567 1.00 73.03 H new ATOM 0 HD21 ASN A 82 -0.025 -16.057 -9.796 1.00 74.05 H new ATOM 0 HD22 ASN A 82 -1.257 -14.793 -9.867 1.00 74.05 H new ATOM 1309 N PHE A 83 -4.079 -13.416 -14.007 1.00 41.30 N ATOM 1310 CA PHE A 83 -5.028 -13.190 -15.094 1.00 14.32 C ATOM 1311 C PHE A 83 -4.364 -12.449 -16.250 1.00 11.44 C ATOM 1312 O PHE A 83 -4.539 -12.817 -17.414 1.00 44.11 O ATOM 1313 CB PHE A 83 -6.249 -12.407 -14.611 1.00 32.34 C ATOM 1314 CG PHE A 83 -7.173 -13.209 -13.742 1.00 72.04 C ATOM 1315 CD1 PHE A 83 -7.733 -14.388 -14.208 1.00 63.24 C ATOM 1316 CD2 PHE A 83 -7.485 -12.783 -12.464 1.00 62.45 C ATOM 1317 CE1 PHE A 83 -8.586 -15.127 -13.414 1.00 2.44 C ATOM 1318 CE2 PHE A 83 -8.341 -13.516 -11.667 1.00 14.24 C ATOM 1319 CZ PHE A 83 -8.892 -14.690 -12.141 1.00 73.43 C ATOM 0 H PHE A 83 -4.272 -12.886 -13.157 1.00 41.30 H new ATOM 0 HA PHE A 83 -5.360 -14.167 -15.444 1.00 14.32 H new ATOM 0 HB2 PHE A 83 -5.912 -11.531 -14.057 1.00 32.34 H new ATOM 0 HB3 PHE A 83 -6.803 -12.043 -15.477 1.00 32.34 H new ATOM 0 HD1 PHE A 83 -7.499 -14.732 -15.204 1.00 63.24 H new ATOM 0 HD2 PHE A 83 -7.055 -11.868 -12.086 1.00 62.45 H new ATOM 0 HE1 PHE A 83 -9.013 -16.046 -13.788 1.00 2.44 H new ATOM 0 HE2 PHE A 83 -8.580 -13.171 -10.672 1.00 14.24 H new ATOM 0 HZ PHE A 83 -9.561 -15.265 -11.517 1.00 73.43 H new ATOM 1329 N TYR A 84 -3.600 -11.413 -15.926 1.00 22.45 N ATOM 1330 CA TYR A 84 -2.915 -10.626 -16.945 1.00 14.00 C ATOM 1331 C TYR A 84 -1.814 -11.441 -17.609 1.00 15.15 C ATOM 1332 O TYR A 84 -1.870 -11.712 -18.811 1.00 44.22 O ATOM 1333 CB TYR A 84 -2.326 -9.347 -16.346 1.00 64.55 C ATOM 1334 CG TYR A 84 -3.369 -8.332 -15.940 1.00 11.34 C ATOM 1335 CD1 TYR A 84 -4.252 -7.807 -16.876 1.00 10.12 C ATOM 1336 CD2 TYR A 84 -3.463 -7.885 -14.629 1.00 72.22 C ATOM 1337 CE1 TYR A 84 -5.198 -6.868 -16.516 1.00 74.41 C ATOM 1338 CE2 TYR A 84 -4.409 -6.949 -14.263 1.00 53.11 C ATOM 1339 CZ TYR A 84 -5.273 -6.443 -15.209 1.00 52.22 C ATOM 1340 OH TYR A 84 -6.210 -5.503 -14.845 1.00 61.54 O ATOM 0 H TYR A 84 -3.439 -11.099 -14.969 1.00 22.45 H new ATOM 0 HA TYR A 84 -3.652 -10.350 -17.700 1.00 14.00 H new ATOM 0 HB2 TYR A 84 -1.726 -9.607 -15.474 1.00 64.55 H new ATOM 0 HB3 TYR A 84 -1.652 -8.892 -17.072 1.00 64.55 H new ATOM 0 HD1 TYR A 84 -4.197 -8.139 -17.902 1.00 10.12 H new ATOM 0 HD2 TYR A 84 -2.786 -8.276 -13.884 1.00 72.22 H new ATOM 0 HE1 TYR A 84 -5.876 -6.469 -17.256 1.00 74.41 H new ATOM 0 HE2 TYR A 84 -4.472 -6.614 -13.238 1.00 53.11 H new ATOM 0 HH TYR A 84 -6.129 -5.315 -13.887 1.00 61.54 H new ATOM 1350 N ASN A 85 -0.824 -11.839 -16.824 1.00 72.40 N ATOM 1351 CA ASN A 85 0.284 -12.641 -17.326 1.00 0.51 C ATOM 1352 C ASN A 85 1.062 -13.231 -16.166 1.00 20.42 C ATOM 1353 O ASN A 85 1.162 -12.627 -15.098 1.00 22.51 O ATOM 1354 CB ASN A 85 1.227 -11.813 -18.214 1.00 71.11 C ATOM 1355 CG ASN A 85 2.049 -10.798 -17.432 1.00 31.43 C ATOM 1356 OD1 ASN A 85 3.138 -11.106 -16.939 1.00 54.34 O ATOM 1357 ND2 ASN A 85 1.548 -9.578 -17.339 1.00 11.40 N ATOM 0 H ASN A 85 -0.765 -11.618 -15.830 1.00 72.40 H new ATOM 0 HA ASN A 85 -0.135 -13.442 -17.935 1.00 0.51 H new ATOM 0 HB2 ASN A 85 1.901 -12.486 -18.744 1.00 71.11 H new ATOM 0 HB3 ASN A 85 0.639 -11.291 -18.969 1.00 71.11 H new ATOM 0 HD21 ASN A 85 2.065 -8.850 -16.846 1.00 11.40 H new ATOM 0 HD22 ASN A 85 0.644 -9.364 -17.761 1.00 11.40 H new ATOM 1364 N LYS A 86 1.608 -14.411 -16.372 1.00 34.22 N ATOM 1365 CA LYS A 86 2.401 -15.056 -15.347 1.00 63.12 C ATOM 1366 C LYS A 86 3.882 -14.875 -15.655 1.00 11.12 C ATOM 1367 O LYS A 86 4.741 -15.238 -14.858 1.00 41.11 O ATOM 1368 CB LYS A 86 2.032 -16.538 -15.245 1.00 5.12 C ATOM 1369 CG LYS A 86 2.598 -17.221 -14.011 1.00 0.20 C ATOM 1370 CD LYS A 86 1.985 -18.595 -13.796 1.00 63.24 C ATOM 1371 CE LYS A 86 2.532 -19.255 -12.540 1.00 54.32 C ATOM 1372 NZ LYS A 86 1.845 -20.536 -12.235 1.00 53.13 N ATOM 0 H LYS A 86 1.518 -14.942 -17.238 1.00 34.22 H new ATOM 0 HA LYS A 86 2.191 -14.594 -14.382 1.00 63.12 H new ATOM 0 HB2 LYS A 86 0.946 -16.634 -15.238 1.00 5.12 H new ATOM 0 HB3 LYS A 86 2.392 -17.056 -16.134 1.00 5.12 H new ATOM 0 HG2 LYS A 86 3.679 -17.317 -14.112 1.00 0.20 H new ATOM 0 HG3 LYS A 86 2.414 -16.599 -13.135 1.00 0.20 H new ATOM 0 HD2 LYS A 86 0.902 -18.504 -13.719 1.00 63.24 H new ATOM 0 HD3 LYS A 86 2.191 -19.227 -14.660 1.00 63.24 H new ATOM 0 HE2 LYS A 86 3.600 -19.437 -12.663 1.00 54.32 H new ATOM 0 HE3 LYS A 86 2.420 -18.575 -11.696 1.00 54.32 H new ATOM 0 HZ1 LYS A 86 2.250 -20.950 -11.371 1.00 53.13 H new ATOM 0 HZ2 LYS A 86 0.830 -20.360 -12.091 1.00 53.13 H new ATOM 0 HZ3 LYS A 86 1.973 -21.196 -13.028 1.00 53.13 H new ATOM 1386 N ASP A 87 4.165 -14.276 -16.808 1.00 54.13 N ATOM 1387 CA ASP A 87 5.538 -14.014 -17.240 1.00 32.33 C ATOM 1388 C ASP A 87 6.288 -13.196 -16.198 1.00 34.42 C ATOM 1389 O ASP A 87 7.378 -13.570 -15.763 1.00 70.50 O ATOM 1390 CB ASP A 87 5.549 -13.266 -18.576 1.00 33.32 C ATOM 1391 CG ASP A 87 5.077 -14.113 -19.741 1.00 72.11 C ATOM 1392 OD1 ASP A 87 3.852 -14.323 -19.877 1.00 11.21 O ATOM 1393 OD2 ASP A 87 5.927 -14.555 -20.543 1.00 73.34 O ATOM 0 H ASP A 87 3.454 -13.959 -17.468 1.00 54.13 H new ATOM 0 HA ASP A 87 6.036 -14.976 -17.362 1.00 32.33 H new ATOM 0 HB2 ASP A 87 4.913 -12.384 -18.496 1.00 33.32 H new ATOM 0 HB3 ASP A 87 6.560 -12.913 -18.779 1.00 33.32 H new ATOM 1398 N MET A 88 5.695 -12.081 -15.791 1.00 21.22 N ATOM 1399 CA MET A 88 6.301 -11.223 -14.782 1.00 5.21 C ATOM 1400 C MET A 88 6.315 -11.931 -13.430 1.00 10.30 C ATOM 1401 O MET A 88 7.244 -11.772 -12.636 1.00 54.02 O ATOM 1402 CB MET A 88 5.531 -9.905 -14.676 1.00 63.20 C ATOM 1403 CG MET A 88 6.168 -8.896 -13.729 1.00 31.34 C ATOM 1404 SD MET A 88 5.165 -7.410 -13.522 1.00 54.22 S ATOM 1405 CE MET A 88 3.689 -8.112 -12.791 1.00 52.25 C ATOM 0 H MET A 88 4.797 -11.750 -16.143 1.00 21.22 H new ATOM 0 HA MET A 88 7.328 -11.007 -15.078 1.00 5.21 H new ATOM 0 HB2 MET A 88 5.453 -9.460 -15.668 1.00 63.20 H new ATOM 0 HB3 MET A 88 4.515 -10.114 -14.340 1.00 63.20 H new ATOM 0 HG2 MET A 88 6.323 -9.364 -12.757 1.00 31.34 H new ATOM 0 HG3 MET A 88 7.151 -8.617 -14.109 1.00 31.34 H new ATOM 0 HE1 MET A 88 3.155 -7.340 -12.238 1.00 52.25 H new ATOM 0 HE2 MET A 88 3.045 -8.506 -13.578 1.00 52.25 H new ATOM 0 HE3 MET A 88 3.967 -8.918 -12.112 1.00 52.25 H new ATOM 1415 N TYR A 89 5.290 -12.740 -13.190 1.00 31.03 N ATOM 1416 CA TYR A 89 5.153 -13.467 -11.946 1.00 33.13 C ATOM 1417 C TYR A 89 6.235 -14.541 -11.809 1.00 53.14 C ATOM 1418 O TYR A 89 6.659 -14.867 -10.700 1.00 61.53 O ATOM 1419 CB TYR A 89 3.760 -14.090 -11.877 1.00 24.35 C ATOM 1420 CG TYR A 89 3.492 -14.795 -10.580 1.00 52.42 C ATOM 1421 CD1 TYR A 89 3.205 -14.077 -9.435 1.00 63.24 C ATOM 1422 CD2 TYR A 89 3.540 -16.173 -10.505 1.00 75.14 C ATOM 1423 CE1 TYR A 89 2.970 -14.717 -8.235 1.00 32.43 C ATOM 1424 CE2 TYR A 89 3.311 -16.826 -9.312 1.00 43.32 C ATOM 1425 CZ TYR A 89 3.024 -16.093 -8.179 1.00 20.42 C ATOM 1426 OH TYR A 89 2.808 -16.739 -6.986 1.00 55.11 O ATOM 0 H TYR A 89 4.535 -12.906 -13.855 1.00 31.03 H new ATOM 0 HA TYR A 89 5.279 -12.772 -11.116 1.00 33.13 H new ATOM 0 HB2 TYR A 89 3.012 -13.310 -12.020 1.00 24.35 H new ATOM 0 HB3 TYR A 89 3.644 -14.797 -12.698 1.00 24.35 H new ATOM 0 HD1 TYR A 89 3.164 -12.999 -9.480 1.00 63.24 H new ATOM 0 HD2 TYR A 89 3.760 -16.747 -11.393 1.00 75.14 H new ATOM 0 HE1 TYR A 89 2.746 -14.144 -7.347 1.00 32.43 H new ATOM 0 HE2 TYR A 89 3.356 -17.904 -9.265 1.00 43.32 H new ATOM 0 HH TYR A 89 3.652 -17.117 -6.661 1.00 55.11 H new ATOM 1436 N ASN A 90 6.691 -15.074 -12.940 1.00 54.11 N ATOM 1437 CA ASN A 90 7.752 -16.086 -12.946 1.00 32.14 C ATOM 1438 C ASN A 90 9.063 -15.501 -12.436 1.00 3.33 C ATOM 1439 O ASN A 90 9.966 -16.236 -12.034 1.00 54.12 O ATOM 1440 CB ASN A 90 7.955 -16.661 -14.352 1.00 50.44 C ATOM 1441 CG ASN A 90 6.782 -17.500 -14.821 1.00 33.41 C ATOM 1442 OD1 ASN A 90 6.072 -18.101 -14.015 1.00 4.15 O ATOM 1443 ND2 ASN A 90 6.574 -17.554 -16.128 1.00 33.01 N ATOM 0 H ASN A 90 6.344 -14.824 -13.866 1.00 54.11 H new ATOM 0 HA ASN A 90 7.442 -16.891 -12.280 1.00 32.14 H new ATOM 0 HB2 ASN A 90 8.114 -15.843 -15.054 1.00 50.44 H new ATOM 0 HB3 ASN A 90 8.859 -17.270 -14.363 1.00 50.44 H new ATOM 0 HD21 ASN A 90 5.802 -18.108 -16.499 1.00 33.01 H new ATOM 0 HD22 ASN A 90 7.185 -17.041 -16.763 1.00 33.01 H new ATOM 1450 N GLN A 91 9.163 -14.177 -12.465 1.00 61.42 N ATOM 1451 CA GLN A 91 10.332 -13.483 -11.947 1.00 34.31 C ATOM 1452 C GLN A 91 10.136 -13.170 -10.465 1.00 31.02 C ATOM 1453 O GLN A 91 11.100 -13.029 -9.709 1.00 74.41 O ATOM 1454 CB GLN A 91 10.559 -12.186 -12.721 1.00 44.02 C ATOM 1455 CG GLN A 91 11.872 -11.502 -12.395 1.00 4.14 C ATOM 1456 CD GLN A 91 11.914 -10.078 -12.898 1.00 53.40 C ATOM 1457 OE1 GLN A 91 12.308 -9.815 -14.032 1.00 71.24 O ATOM 1458 NE2 GLN A 91 11.506 -9.148 -12.053 1.00 54.00 N ATOM 0 H GLN A 91 8.443 -13.562 -12.844 1.00 61.42 H new ATOM 0 HA GLN A 91 11.204 -14.126 -12.067 1.00 34.31 H new ATOM 0 HB2 GLN A 91 10.527 -12.401 -13.789 1.00 44.02 H new ATOM 0 HB3 GLN A 91 9.740 -11.499 -12.509 1.00 44.02 H new ATOM 0 HG2 GLN A 91 12.025 -11.509 -11.316 1.00 4.14 H new ATOM 0 HG3 GLN A 91 12.693 -12.066 -12.837 1.00 4.14 H new ATOM 0 HE21 GLN A 91 11.187 -9.411 -11.121 1.00 54.00 H new ATOM 0 HE22 GLN A 91 11.510 -8.167 -12.333 1.00 54.00 H new ATOM 1467 N LEU A 92 8.874 -13.056 -10.062 1.00 74.25 N ATOM 1468 CA LEU A 92 8.531 -12.806 -8.670 1.00 65.04 C ATOM 1469 C LEU A 92 8.746 -14.070 -7.852 1.00 51.12 C ATOM 1470 O LEU A 92 9.097 -14.011 -6.673 1.00 25.21 O ATOM 1471 CB LEU A 92 7.077 -12.337 -8.551 1.00 2.12 C ATOM 1472 CG LEU A 92 6.744 -11.050 -9.310 1.00 4.10 C ATOM 1473 CD1 LEU A 92 5.264 -10.720 -9.179 1.00 34.14 C ATOM 1474 CD2 LEU A 92 7.597 -9.894 -8.802 1.00 61.14 C ATOM 0 H LEU A 92 8.070 -13.134 -10.685 1.00 74.25 H new ATOM 0 HA LEU A 92 9.178 -12.018 -8.284 1.00 65.04 H new ATOM 0 HB2 LEU A 92 6.425 -13.132 -8.912 1.00 2.12 H new ATOM 0 HB3 LEU A 92 6.845 -12.189 -7.496 1.00 2.12 H new ATOM 0 HG LEU A 92 6.969 -11.205 -10.365 1.00 4.10 H new ATOM 0 HD11 LEU A 92 5.046 -9.802 -9.725 1.00 34.14 H new ATOM 0 HD12 LEU A 92 4.671 -11.537 -9.591 1.00 34.14 H new ATOM 0 HD13 LEU A 92 5.013 -10.585 -8.127 1.00 34.14 H new ATOM 0 HD21 LEU A 92 7.347 -8.987 -9.353 1.00 61.14 H new ATOM 0 HD22 LEU A 92 7.404 -9.738 -7.741 1.00 61.14 H new ATOM 0 HD23 LEU A 92 8.651 -10.128 -8.949 1.00 61.14 H new ATOM 1486 N GLU A 93 8.534 -15.212 -8.486 1.00 0.25 N ATOM 1487 CA GLU A 93 8.834 -16.490 -7.869 1.00 50.02 C ATOM 1488 C GLU A 93 10.332 -16.751 -7.928 1.00 53.31 C ATOM 1489 O GLU A 93 10.919 -16.845 -9.007 1.00 50.32 O ATOM 1490 CB GLU A 93 8.059 -17.619 -8.548 1.00 63.51 C ATOM 1491 CG GLU A 93 6.563 -17.590 -8.265 1.00 4.15 C ATOM 1492 CD GLU A 93 6.227 -17.852 -6.804 1.00 63.32 C ATOM 1493 OE1 GLU A 93 7.153 -17.882 -5.966 1.00 53.22 O ATOM 1494 OE2 GLU A 93 5.033 -18.043 -6.488 1.00 50.24 O ATOM 0 H GLU A 93 8.154 -15.278 -9.430 1.00 0.25 H new ATOM 0 HA GLU A 93 8.523 -16.457 -6.825 1.00 50.02 H new ATOM 0 HB2 GLU A 93 8.217 -17.560 -9.625 1.00 63.51 H new ATOM 0 HB3 GLU A 93 8.464 -18.576 -8.218 1.00 63.51 H new ATOM 0 HG2 GLU A 93 6.163 -16.618 -8.555 1.00 4.15 H new ATOM 0 HG3 GLU A 93 6.067 -18.337 -8.885 1.00 4.15 H new ATOM 1501 N HIS A 94 10.945 -16.848 -6.762 1.00 13.14 N ATOM 1502 CA HIS A 94 12.391 -16.978 -6.668 1.00 43.12 C ATOM 1503 C HIS A 94 12.842 -18.391 -7.022 1.00 63.24 C ATOM 1504 O HIS A 94 12.377 -19.369 -6.435 1.00 41.13 O ATOM 1505 CB HIS A 94 12.878 -16.588 -5.268 1.00 45.42 C ATOM 1506 CG HIS A 94 12.724 -15.125 -4.973 1.00 70.15 C ATOM 1507 ND1 HIS A 94 13.792 -14.274 -4.804 1.00 4.50 N ATOM 1508 CD2 HIS A 94 11.614 -14.360 -4.836 1.00 13.34 C ATOM 1509 CE1 HIS A 94 13.348 -13.053 -4.578 1.00 65.10 C ATOM 1510 NE2 HIS A 94 12.030 -13.075 -4.594 1.00 65.53 N ATOM 0 H HIS A 94 10.463 -16.839 -5.863 1.00 13.14 H new ATOM 0 HA HIS A 94 12.837 -16.295 -7.391 1.00 43.12 H new ATOM 0 HB2 HIS A 94 12.324 -17.162 -4.525 1.00 45.42 H new ATOM 0 HB3 HIS A 94 13.928 -16.864 -5.166 1.00 45.42 H new ATOM 0 HD2 HIS A 94 10.591 -14.699 -4.905 1.00 13.34 H new ATOM 0 HE1 HIS A 94 13.962 -12.181 -4.408 1.00 65.10 H new ATOM 0 HE2 HIS A 94 11.420 -12.270 -4.450 1.00 65.53 H new ATOM 1519 N HIS A 95 13.743 -18.475 -7.994 1.00 55.21 N ATOM 1520 CA HIS A 95 14.292 -19.745 -8.459 1.00 35.44 C ATOM 1521 C HIS A 95 14.891 -20.548 -7.306 1.00 41.02 C ATOM 1522 O HIS A 95 15.820 -20.097 -6.633 1.00 13.32 O ATOM 1523 CB HIS A 95 15.355 -19.479 -9.535 1.00 62.15 C ATOM 1524 CG HIS A 95 16.112 -20.695 -9.982 1.00 23.32 C ATOM 1525 ND1 HIS A 95 17.428 -20.925 -9.639 1.00 42.20 N ATOM 1526 CD2 HIS A 95 15.742 -21.741 -10.759 1.00 2.24 C ATOM 1527 CE1 HIS A 95 17.832 -22.058 -10.181 1.00 61.33 C ATOM 1528 NE2 HIS A 95 16.830 -22.572 -10.864 1.00 61.30 N ATOM 0 H HIS A 95 14.115 -17.662 -8.484 1.00 55.21 H new ATOM 0 HA HIS A 95 13.482 -20.337 -8.885 1.00 35.44 H new ATOM 0 HB2 HIS A 95 14.870 -19.030 -10.402 1.00 62.15 H new ATOM 0 HB3 HIS A 95 16.065 -18.746 -9.152 1.00 62.15 H new ATOM 0 HD2 HIS A 95 14.773 -21.893 -11.211 1.00 2.24 H new ATOM 0 HE1 HIS A 95 18.817 -22.490 -10.082 1.00 61.33 H new ATOM 0 HE2 HIS A 95 16.858 -23.447 -11.387 1.00 61.30 H new ATOM 1537 N HIS A 96 14.332 -21.724 -7.076 1.00 30.20 N ATOM 1538 CA HIS A 96 14.855 -22.656 -6.088 1.00 21.24 C ATOM 1539 C HIS A 96 15.364 -23.902 -6.801 1.00 65.52 C ATOM 1540 O HIS A 96 14.851 -24.256 -7.862 1.00 65.31 O ATOM 1541 CB HIS A 96 13.755 -23.018 -5.076 1.00 50.23 C ATOM 1542 CG HIS A 96 14.180 -23.968 -3.994 1.00 62.44 C ATOM 1543 ND1 HIS A 96 14.870 -23.571 -2.870 1.00 34.20 N ATOM 1544 CD2 HIS A 96 13.997 -25.305 -3.862 1.00 1.32 C ATOM 1545 CE1 HIS A 96 15.089 -24.617 -2.096 1.00 74.34 C ATOM 1546 NE2 HIS A 96 14.568 -25.681 -2.673 1.00 75.23 N ATOM 0 H HIS A 96 13.504 -22.060 -7.567 1.00 30.20 H new ATOM 0 HA HIS A 96 15.680 -22.196 -5.543 1.00 21.24 H new ATOM 0 HB2 HIS A 96 13.392 -22.101 -4.612 1.00 50.23 H new ATOM 0 HB3 HIS A 96 12.915 -23.456 -5.615 1.00 50.23 H new ATOM 0 HD2 HIS A 96 13.494 -25.954 -4.564 1.00 1.32 H new ATOM 0 HE1 HIS A 96 15.608 -24.603 -1.149 1.00 74.34 H new ATOM 0 HE2 HIS A 96 14.586 -26.629 -2.297 1.00 75.23 H new ATOM 1555 N HIS A 97 16.384 -24.547 -6.248 1.00 62.32 N ATOM 1556 CA HIS A 97 16.907 -25.776 -6.833 1.00 54.31 C ATOM 1557 C HIS A 97 15.869 -26.891 -6.735 1.00 41.40 C ATOM 1558 O HIS A 97 15.811 -27.618 -5.743 1.00 12.21 O ATOM 1559 CB HIS A 97 18.216 -26.196 -6.153 1.00 44.12 C ATOM 1560 CG HIS A 97 18.817 -27.456 -6.714 1.00 34.33 C ATOM 1561 ND1 HIS A 97 19.289 -28.480 -5.923 1.00 61.21 N ATOM 1562 CD2 HIS A 97 19.016 -27.853 -7.994 1.00 32.11 C ATOM 1563 CE1 HIS A 97 19.753 -29.449 -6.691 1.00 24.41 C ATOM 1564 NE2 HIS A 97 19.598 -29.094 -7.952 1.00 65.54 N ATOM 0 H HIS A 97 16.863 -24.242 -5.401 1.00 62.32 H new ATOM 0 HA HIS A 97 17.121 -25.589 -7.885 1.00 54.31 H new ATOM 0 HB2 HIS A 97 18.940 -25.386 -6.248 1.00 44.12 H new ATOM 0 HB3 HIS A 97 18.032 -26.336 -5.088 1.00 44.12 H new ATOM 0 HD2 HIS A 97 18.763 -27.295 -8.883 1.00 32.11 H new ATOM 0 HE1 HIS A 97 20.186 -30.376 -6.345 1.00 24.41 H new ATOM 0 HE2 HIS A 97 19.867 -29.651 -8.763 1.00 65.54 H new ATOM 1573 N HIS A 98 15.032 -26.993 -7.760 1.00 74.30 N ATOM 1574 CA HIS A 98 13.999 -28.018 -7.809 1.00 61.23 C ATOM 1575 C HIS A 98 14.620 -29.402 -7.929 1.00 60.20 C ATOM 1576 O HIS A 98 15.407 -29.657 -8.839 1.00 13.55 O ATOM 1577 CB HIS A 98 13.013 -27.756 -8.963 1.00 22.23 C ATOM 1578 CG HIS A 98 13.655 -27.520 -10.304 1.00 3.51 C ATOM 1579 ND1 HIS A 98 13.900 -26.259 -10.804 1.00 12.23 N ATOM 1580 CD2 HIS A 98 14.095 -28.385 -11.251 1.00 21.34 C ATOM 1581 CE1 HIS A 98 14.461 -26.359 -11.992 1.00 70.12 C ATOM 1582 NE2 HIS A 98 14.590 -27.637 -12.290 1.00 74.20 N ATOM 0 H HIS A 98 15.049 -26.375 -8.571 1.00 74.30 H new ATOM 0 HA HIS A 98 13.438 -27.976 -6.875 1.00 61.23 H new ATOM 0 HB2 HIS A 98 12.337 -28.608 -9.045 1.00 22.23 H new ATOM 0 HB3 HIS A 98 12.403 -26.888 -8.711 1.00 22.23 H new ATOM 0 HD2 HIS A 98 14.062 -29.463 -11.198 1.00 21.34 H new ATOM 0 HE1 HIS A 98 14.764 -25.532 -12.617 1.00 70.12 H new ATOM 0 HE2 HIS A 98 14.992 -28.009 -13.151 1.00 74.20 H new ATOM 1591 N HIS A 99 14.273 -30.269 -6.981 1.00 23.40 N ATOM 1592 CA HIS A 99 14.769 -31.646 -6.933 1.00 2.23 C ATOM 1593 C HIS A 99 16.263 -31.683 -6.608 1.00 53.43 C ATOM 1594 O HIS A 99 17.100 -31.272 -7.412 1.00 71.42 O ATOM 1595 CB HIS A 99 14.481 -32.382 -8.250 1.00 34.41 C ATOM 1596 CG HIS A 99 14.920 -33.816 -8.250 1.00 2.51 C ATOM 1597 ND1 HIS A 99 15.850 -34.322 -9.133 1.00 45.34 N ATOM 1598 CD2 HIS A 99 14.546 -34.854 -7.466 1.00 21.31 C ATOM 1599 CE1 HIS A 99 16.031 -35.608 -8.890 1.00 44.41 C ATOM 1600 NE2 HIS A 99 15.252 -35.953 -7.881 1.00 32.23 N ATOM 0 H HIS A 99 13.636 -30.037 -6.219 1.00 23.40 H new ATOM 0 HA HIS A 99 14.237 -32.162 -6.133 1.00 2.23 H new ATOM 0 HB2 HIS A 99 13.411 -32.339 -8.453 1.00 34.41 H new ATOM 0 HB3 HIS A 99 14.981 -31.859 -9.065 1.00 34.41 H new ATOM 0 HD2 HIS A 99 13.825 -34.822 -6.663 1.00 21.31 H new ATOM 0 HE1 HIS A 99 16.701 -36.265 -9.425 1.00 44.41 H new ATOM 0 HE2 HIS A 99 15.186 -36.887 -7.476 1.00 32.23 H new TER 1609 HIS A 99