USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 ASN : amide:sc= -1.58! C(o=-1.3!,f=-9.5!) USER MOD Set 1.2: A 86 ASN : amide:sc= 0.277 K(o=-1.3,f=-8.3!) USER MOD Set 2.1: A 58 SER OG : rot -31:sc= 0.837 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 1.32 K(o=2.7,f=-4.3!) USER MOD Set 2.3: A 81 THR OG1 : rot 146:sc= 0.529 USER MOD Set 3.1: A 72 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 79 TYR OH : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0893 (180deg=-0.48) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.0474 (180deg=-0.255) USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 1.22 (180deg=1.1) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -106:sc= 0.903 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 1.23 K(o=1.2,f=-0.13) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0634 X(o=-0.063,f=-0.35) USER MOD Single : A 29 THR OG1 : rot 134:sc= -0.777 USER MOD Single : A 30 SER OG : rot 84:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 146:sc= 1.3 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 68:sc= 0.544 USER MOD Single : A 49 ASN : amide:sc= -0.296 K(o=-0.3,f=-1.2) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -2.95 (180deg=-5.85!) USER MOD Single : A 75 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-4.7!) USER MOD Single : A 83 LYS NZ :NH3+ -123:sc= -0.33 (180deg=-3.11!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.158 X(o=0.16,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.659 8.802 -6.012 1.00 0.00 N ATOM 2 CA MET A 1 -18.178 7.669 -5.208 1.00 0.00 C ATOM 3 C MET A 1 -17.040 6.860 -4.599 1.00 0.00 C ATOM 4 O MET A 1 -17.218 6.190 -3.580 1.00 0.00 O ATOM 5 CB MET A 1 -19.056 6.760 -6.068 1.00 0.00 C ATOM 6 CG MET A 1 -20.371 7.399 -6.477 1.00 0.00 C ATOM 7 SD MET A 1 -21.385 7.860 -5.057 1.00 0.00 S ATOM 8 CE MET A 1 -21.700 6.254 -4.324 1.00 0.00 C ATOM 0 H1 MET A 1 -18.449 9.413 -6.302 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.987 9.353 -5.441 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.177 8.436 -6.857 1.00 0.00 H new ATOM 0 HA MET A 1 -18.778 8.084 -4.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.504 6.477 -6.964 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.263 5.842 -5.518 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.169 8.285 -7.079 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.928 6.706 -7.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.529 6.331 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.954 5.540 -5.107 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.808 5.913 -3.798 1.00 0.00 H new ATOM 18 N LYS A 2 -15.872 6.911 -5.226 1.00 0.00 N ATOM 19 CA LYS A 2 -14.705 6.217 -4.707 1.00 0.00 C ATOM 20 C LYS A 2 -14.085 7.034 -3.582 1.00 0.00 C ATOM 21 O LYS A 2 -13.996 6.571 -2.444 1.00 0.00 O ATOM 22 CB LYS A 2 -13.681 5.991 -5.824 1.00 0.00 C ATOM 23 CG LYS A 2 -12.717 4.846 -5.555 1.00 0.00 C ATOM 24 CD LYS A 2 -13.426 3.500 -5.601 1.00 0.00 C ATOM 25 CE LYS A 2 -14.029 3.237 -6.975 1.00 0.00 C ATOM 26 NZ LYS A 2 -14.857 2.003 -6.999 1.00 0.00 N ATOM 0 H LYS A 2 -15.710 7.425 -6.092 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.011 5.246 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.212 5.795 -6.756 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.109 6.907 -5.970 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -11.916 4.862 -6.294 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.253 4.981 -4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.721 2.707 -5.353 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.212 3.475 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.642 4.089 -7.270 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.229 3.150 -7.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.134 1.790 -7.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.307 1.208 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.710 2.146 -6.421 1.00 0.00 H new ATOM 40 N SER A 3 -13.687 8.263 -3.921 1.00 0.00 N ATOM 41 CA SER A 3 -13.110 9.211 -2.968 1.00 0.00 C ATOM 42 C SER A 3 -11.714 8.790 -2.504 1.00 0.00 C ATOM 43 O SER A 3 -11.456 7.624 -2.206 1.00 0.00 O ATOM 44 CB SER A 3 -14.037 9.412 -1.762 1.00 0.00 C ATOM 45 OG SER A 3 -15.258 10.020 -2.156 1.00 0.00 O ATOM 0 H SER A 3 -13.757 8.629 -4.870 1.00 0.00 H new ATOM 0 HA SER A 3 -13.007 10.161 -3.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.241 8.450 -1.291 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.541 10.034 -1.017 1.00 0.00 H new ATOM 0 HG SER A 3 -15.833 10.137 -1.371 1.00 0.00 H new ATOM 51 N SER A 4 -10.807 9.752 -2.473 1.00 0.00 N ATOM 52 CA SER A 4 -9.475 9.522 -1.955 1.00 0.00 C ATOM 53 C SER A 4 -9.494 9.637 -0.433 1.00 0.00 C ATOM 54 O SER A 4 -9.567 10.731 0.119 1.00 0.00 O ATOM 55 CB SER A 4 -8.496 10.517 -2.577 1.00 0.00 C ATOM 56 OG SER A 4 -8.522 10.425 -3.995 1.00 0.00 O ATOM 0 H SER A 4 -10.973 10.703 -2.803 1.00 0.00 H new ATOM 0 HA SER A 4 -9.144 8.518 -2.218 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.754 11.530 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.488 10.319 -2.213 1.00 0.00 H new ATOM 0 HG SER A 4 -7.890 11.070 -4.376 1.00 0.00 H new ATOM 62 N ILE A 5 -9.435 8.493 0.227 1.00 0.00 N ATOM 63 CA ILE A 5 -9.661 8.399 1.667 1.00 0.00 C ATOM 64 C ILE A 5 -8.340 8.509 2.426 1.00 0.00 C ATOM 65 O ILE A 5 -7.333 7.954 1.993 1.00 0.00 O ATOM 66 CB ILE A 5 -10.371 7.062 2.002 1.00 0.00 C ATOM 67 CG1 ILE A 5 -11.719 6.992 1.278 1.00 0.00 C ATOM 68 CG2 ILE A 5 -10.571 6.890 3.504 1.00 0.00 C ATOM 69 CD1 ILE A 5 -12.416 5.653 1.406 1.00 0.00 C ATOM 0 H ILE A 5 -9.229 7.599 -0.218 1.00 0.00 H new ATOM 0 HA ILE A 5 -10.300 9.225 1.978 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.731 6.248 1.660 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -12.373 7.770 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.565 7.211 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.072 5.941 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.602 6.898 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.183 7.708 3.886 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.363 5.683 0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.783 4.872 0.985 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -12.604 5.440 2.458 1.00 0.00 H new ATOM 81 N PRO A 6 -8.319 9.240 3.557 1.00 0.00 N ATOM 82 CA PRO A 6 -7.094 9.459 4.332 1.00 0.00 C ATOM 83 C PRO A 6 -6.519 8.169 4.914 1.00 0.00 C ATOM 84 O PRO A 6 -7.248 7.208 5.183 1.00 0.00 O ATOM 85 CB PRO A 6 -7.530 10.406 5.451 1.00 0.00 C ATOM 86 CG PRO A 6 -9.005 10.242 5.554 1.00 0.00 C ATOM 87 CD PRO A 6 -9.484 9.907 4.171 1.00 0.00 C ATOM 0 HA PRO A 6 -6.297 9.860 3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -7.040 10.155 6.392 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.264 11.437 5.219 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.261 9.450 6.258 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -9.474 11.156 5.918 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -10.355 9.252 4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.772 10.801 3.618 1.00 0.00 H new ATOM 95 N ILE A 7 -5.208 8.168 5.128 1.00 0.00 N ATOM 96 CA ILE A 7 -4.500 6.977 5.583 1.00 0.00 C ATOM 97 C ILE A 7 -4.921 6.589 6.999 1.00 0.00 C ATOM 98 O ILE A 7 -4.875 5.419 7.366 1.00 0.00 O ATOM 99 CB ILE A 7 -2.964 7.171 5.516 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.237 5.871 5.869 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.518 8.301 6.429 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.553 4.730 4.932 1.00 0.00 C ATOM 0 H ILE A 7 -4.611 8.984 4.993 1.00 0.00 H new ATOM 0 HA ILE A 7 -4.772 6.165 4.908 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.703 7.441 4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.162 6.051 5.860 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.503 5.580 6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.436 8.416 6.363 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.001 9.229 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.796 8.070 7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.003 3.841 5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.623 4.523 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.261 5.001 3.917 1.00 0.00 H new ATOM 114 N THR A 8 -5.367 7.570 7.774 1.00 0.00 N ATOM 115 CA THR A 8 -5.825 7.323 9.135 1.00 0.00 C ATOM 116 C THR A 8 -6.980 6.320 9.146 1.00 0.00 C ATOM 117 O THR A 8 -7.181 5.595 10.122 1.00 0.00 O ATOM 118 CB THR A 8 -6.261 8.644 9.819 1.00 0.00 C ATOM 119 OG1 THR A 8 -6.650 8.412 11.178 1.00 0.00 O ATOM 120 CG2 THR A 8 -7.417 9.294 9.070 1.00 0.00 C ATOM 0 H THR A 8 -5.421 8.546 7.482 1.00 0.00 H new ATOM 0 HA THR A 8 -4.991 6.900 9.696 1.00 0.00 H new ATOM 0 HB THR A 8 -5.403 9.316 9.801 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.920 9.259 11.590 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.702 10.219 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.109 9.516 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.268 8.613 9.053 1.00 0.00 H new ATOM 128 N GLU A 9 -7.720 6.270 8.047 1.00 0.00 N ATOM 129 CA GLU A 9 -8.829 5.343 7.913 1.00 0.00 C ATOM 130 C GLU A 9 -8.390 4.090 7.162 1.00 0.00 C ATOM 131 O GLU A 9 -8.636 2.968 7.603 1.00 0.00 O ATOM 132 CB GLU A 9 -9.988 6.015 7.176 1.00 0.00 C ATOM 133 CG GLU A 9 -10.595 7.190 7.927 1.00 0.00 C ATOM 134 CD GLU A 9 -11.329 6.757 9.183 1.00 0.00 C ATOM 135 OE1 GLU A 9 -12.470 6.269 9.072 1.00 0.00 O ATOM 136 OE2 GLU A 9 -10.770 6.894 10.291 1.00 0.00 O ATOM 0 H GLU A 9 -7.569 6.865 7.233 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.161 5.053 8.910 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.637 6.360 6.204 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.766 5.274 6.989 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -9.806 7.893 8.195 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.285 7.720 7.270 1.00 0.00 H new ATOM 143 N VAL A 10 -7.707 4.287 6.041 1.00 0.00 N ATOM 144 CA VAL A 10 -7.359 3.180 5.157 1.00 0.00 C ATOM 145 C VAL A 10 -6.359 2.224 5.806 1.00 0.00 C ATOM 146 O VAL A 10 -6.451 1.014 5.615 1.00 0.00 O ATOM 147 CB VAL A 10 -6.799 3.683 3.808 1.00 0.00 C ATOM 148 CG1 VAL A 10 -6.401 2.516 2.914 1.00 0.00 C ATOM 149 CG2 VAL A 10 -7.821 4.561 3.106 1.00 0.00 C ATOM 0 H VAL A 10 -7.383 5.200 5.722 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.284 2.635 4.970 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.907 4.276 4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.010 2.897 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -5.634 1.922 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.274 1.893 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.412 4.908 2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.729 3.987 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.056 5.419 3.735 1.00 0.00 H new ATOM 159 N LEU A 11 -5.424 2.764 6.583 1.00 0.00 N ATOM 160 CA LEU A 11 -4.397 1.952 7.234 1.00 0.00 C ATOM 161 C LEU A 11 -5.007 0.793 8.047 1.00 0.00 C ATOM 162 O LEU A 11 -4.748 -0.373 7.740 1.00 0.00 O ATOM 163 CB LEU A 11 -3.497 2.843 8.109 1.00 0.00 C ATOM 164 CG LEU A 11 -2.695 2.117 9.191 1.00 0.00 C ATOM 165 CD1 LEU A 11 -1.757 1.090 8.582 1.00 0.00 C ATOM 166 CD2 LEU A 11 -1.922 3.116 10.035 1.00 0.00 C ATOM 0 H LEU A 11 -5.355 3.763 6.778 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.784 1.495 6.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.800 3.372 7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.120 3.597 8.589 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.397 1.586 9.835 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.200 0.590 9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.336 0.353 8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.060 1.588 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.356 2.585 10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.236 3.675 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.619 3.806 10.512 1.00 0.00 H new ATOM 178 N PRO A 12 -5.818 1.076 9.088 1.00 0.00 N ATOM 179 CA PRO A 12 -6.439 0.022 9.896 1.00 0.00 C ATOM 180 C PRO A 12 -7.445 -0.822 9.108 1.00 0.00 C ATOM 181 O PRO A 12 -7.618 -2.008 9.390 1.00 0.00 O ATOM 182 CB PRO A 12 -7.145 0.788 11.019 1.00 0.00 C ATOM 183 CG PRO A 12 -7.332 2.166 10.490 1.00 0.00 C ATOM 184 CD PRO A 12 -6.168 2.420 9.582 1.00 0.00 C ATOM 0 HA PRO A 12 -5.696 -0.692 10.252 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -8.101 0.329 11.269 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -6.546 0.793 11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.275 2.252 9.950 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -7.361 2.895 11.300 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -6.435 3.091 8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.336 2.881 10.115 1.00 0.00 H new ATOM 192 N ARG A 13 -8.095 -0.219 8.113 1.00 0.00 N ATOM 193 CA ARG A 13 -9.093 -0.927 7.316 1.00 0.00 C ATOM 194 C ARG A 13 -8.439 -1.853 6.289 1.00 0.00 C ATOM 195 O ARG A 13 -9.109 -2.687 5.679 1.00 0.00 O ATOM 196 CB ARG A 13 -10.000 0.068 6.593 1.00 0.00 C ATOM 197 CG ARG A 13 -10.806 0.970 7.513 1.00 0.00 C ATOM 198 CD ARG A 13 -11.671 1.933 6.716 1.00 0.00 C ATOM 199 NE ARG A 13 -12.292 2.953 7.559 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.588 3.268 7.521 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.426 2.574 6.761 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.048 4.281 8.239 1.00 0.00 N ATOM 0 H ARG A 13 -7.949 0.753 7.841 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.685 -1.534 8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.388 0.690 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.688 -0.485 5.953 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.436 0.362 8.162 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.131 1.532 8.159 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.062 2.418 5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.448 1.373 6.195 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.697 3.456 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.080 1.794 6.201 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.416 2.820 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.411 4.823 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.039 4.520 8.208 1.00 0.00 H new ATOM 216 N ALA A 14 -7.137 -1.696 6.092 1.00 0.00 N ATOM 217 CA ALA A 14 -6.420 -2.469 5.088 1.00 0.00 C ATOM 218 C ALA A 14 -6.021 -3.840 5.616 1.00 0.00 C ATOM 219 O ALA A 14 -5.775 -4.015 6.812 1.00 0.00 O ATOM 220 CB ALA A 14 -5.189 -1.711 4.613 1.00 0.00 C ATOM 0 H ALA A 14 -6.556 -1.040 6.614 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.094 -2.619 4.244 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.664 -2.303 3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.493 -0.760 4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.526 -1.527 5.459 1.00 0.00 H new ATOM 226 N VAL A 15 -5.960 -4.807 4.713 1.00 0.00 N ATOM 227 CA VAL A 15 -5.564 -6.168 5.050 1.00 0.00 C ATOM 228 C VAL A 15 -4.321 -6.569 4.261 1.00 0.00 C ATOM 229 O VAL A 15 -3.880 -7.717 4.299 1.00 0.00 O ATOM 230 CB VAL A 15 -6.698 -7.175 4.765 1.00 0.00 C ATOM 231 CG1 VAL A 15 -7.863 -6.960 5.720 1.00 0.00 C ATOM 232 CG2 VAL A 15 -7.164 -7.059 3.321 1.00 0.00 C ATOM 0 H VAL A 15 -6.183 -4.672 3.727 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.344 -6.189 6.117 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.309 -8.181 4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.651 -7.681 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.522 -7.096 6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.252 -5.949 5.598 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.964 -7.777 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.533 -6.050 3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.329 -7.267 2.652 1.00 0.00 H new ATOM 242 N GLY A 16 -3.766 -5.608 3.542 1.00 0.00 N ATOM 243 CA GLY A 16 -2.575 -5.844 2.762 1.00 0.00 C ATOM 244 C GLY A 16 -1.886 -4.540 2.455 1.00 0.00 C ATOM 245 O GLY A 16 -2.541 -3.502 2.393 1.00 0.00 O ATOM 0 H GLY A 16 -4.127 -4.656 3.486 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.898 -6.501 3.308 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.834 -6.354 1.834 1.00 0.00 H new ATOM 249 N SER A 17 -0.578 -4.562 2.293 1.00 0.00 N ATOM 250 CA SER A 17 0.162 -3.336 2.047 1.00 0.00 C ATOM 251 C SER A 17 1.430 -3.600 1.239 1.00 0.00 C ATOM 252 O SER A 17 2.237 -4.469 1.582 1.00 0.00 O ATOM 253 CB SER A 17 0.499 -2.659 3.379 1.00 0.00 C ATOM 254 OG SER A 17 -0.672 -2.451 4.156 1.00 0.00 O ATOM 0 H SER A 17 -0.008 -5.407 2.326 1.00 0.00 H new ATOM 0 HA SER A 17 -0.466 -2.669 1.456 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.204 -3.276 3.936 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.990 -1.704 3.192 1.00 0.00 H new ATOM 0 HG SER A 17 -0.905 -1.499 4.148 1.00 0.00 H new ATOM 260 N LEU A 18 1.585 -2.854 0.157 1.00 0.00 N ATOM 261 CA LEU A 18 2.758 -2.955 -0.697 1.00 0.00 C ATOM 262 C LEU A 18 3.644 -1.728 -0.554 1.00 0.00 C ATOM 263 O LEU A 18 3.212 -0.613 -0.835 1.00 0.00 O ATOM 264 CB LEU A 18 2.341 -3.097 -2.158 1.00 0.00 C ATOM 265 CG LEU A 18 2.049 -4.520 -2.614 1.00 0.00 C ATOM 266 CD1 LEU A 18 1.434 -4.523 -4.002 1.00 0.00 C ATOM 267 CD2 LEU A 18 3.321 -5.346 -2.607 1.00 0.00 C ATOM 0 H LEU A 18 0.903 -2.162 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 18 3.318 -3.837 -0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.452 -2.489 -2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.131 -2.686 -2.786 1.00 0.00 H new ATOM 0 HG LEU A 18 1.336 -4.962 -1.918 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.233 -5.549 -4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.501 -3.959 -3.988 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.126 -4.062 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.097 -6.361 -2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.049 -4.898 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.732 -5.373 -1.598 1.00 0.00 H new ATOM 279 N THR A 19 4.877 -1.932 -0.126 1.00 0.00 N ATOM 280 CA THR A 19 5.826 -0.838 -0.025 1.00 0.00 C ATOM 281 C THR A 19 6.660 -0.750 -1.299 1.00 0.00 C ATOM 282 O THR A 19 7.430 -1.658 -1.613 1.00 0.00 O ATOM 283 CB THR A 19 6.765 -0.999 1.188 1.00 0.00 C ATOM 284 OG1 THR A 19 6.000 -1.101 2.398 1.00 0.00 O ATOM 285 CG2 THR A 19 7.722 0.178 1.297 1.00 0.00 C ATOM 0 H THR A 19 5.244 -2.841 0.156 1.00 0.00 H new ATOM 0 HA THR A 19 5.251 0.078 0.111 1.00 0.00 H new ATOM 0 HB THR A 19 7.344 -1.911 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.607 -1.205 3.161 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.373 0.039 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.327 0.240 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.153 1.100 1.416 1.00 0.00 H new ATOM 293 N PHE A 20 6.476 0.330 -2.034 1.00 0.00 N ATOM 294 CA PHE A 20 7.229 0.588 -3.252 1.00 0.00 C ATOM 295 C PHE A 20 8.226 1.718 -3.032 1.00 0.00 C ATOM 296 O PHE A 20 8.055 2.560 -2.146 1.00 0.00 O ATOM 297 CB PHE A 20 6.289 0.976 -4.400 1.00 0.00 C ATOM 298 CG PHE A 20 5.591 -0.171 -5.066 1.00 0.00 C ATOM 299 CD1 PHE A 20 4.618 -0.896 -4.403 1.00 0.00 C ATOM 300 CD2 PHE A 20 5.896 -0.502 -6.376 1.00 0.00 C ATOM 301 CE1 PHE A 20 3.964 -1.936 -5.035 1.00 0.00 C ATOM 302 CE2 PHE A 20 5.247 -1.541 -7.009 1.00 0.00 C ATOM 303 CZ PHE A 20 4.281 -2.258 -6.337 1.00 0.00 C ATOM 0 H PHE A 20 5.798 1.057 -1.805 1.00 0.00 H new ATOM 0 HA PHE A 20 7.761 -0.327 -3.513 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.537 1.665 -4.016 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.863 1.518 -5.152 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.367 -0.647 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.650 0.060 -6.907 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.205 -2.496 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.495 -1.792 -8.030 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.772 -3.073 -6.831 1.00 0.00 H new ATOM 313 N ASP A 21 9.271 1.723 -3.835 1.00 0.00 N ATOM 314 CA ASP A 21 10.230 2.812 -3.831 1.00 0.00 C ATOM 315 C ASP A 21 9.748 3.913 -4.769 1.00 0.00 C ATOM 316 O ASP A 21 8.808 3.702 -5.532 1.00 0.00 O ATOM 317 CB ASP A 21 11.610 2.296 -4.254 1.00 0.00 C ATOM 318 CG ASP A 21 12.664 3.382 -4.260 1.00 0.00 C ATOM 319 OD1 ASP A 21 13.079 3.820 -3.170 1.00 0.00 O ATOM 320 OD2 ASP A 21 13.068 3.809 -5.359 1.00 0.00 O ATOM 0 H ASP A 21 9.479 0.981 -4.503 1.00 0.00 H new ATOM 0 HA ASP A 21 10.316 3.223 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.919 1.500 -3.577 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.540 1.858 -5.250 1.00 0.00 H new ATOM 325 N GLU A 22 10.378 5.082 -4.719 1.00 0.00 N ATOM 326 CA GLU A 22 9.986 6.186 -5.576 1.00 0.00 C ATOM 327 C GLU A 22 10.325 5.882 -7.033 1.00 0.00 C ATOM 328 O GLU A 22 9.789 6.505 -7.949 1.00 0.00 O ATOM 329 CB GLU A 22 10.653 7.483 -5.124 1.00 0.00 C ATOM 330 CG GLU A 22 12.167 7.454 -5.174 1.00 0.00 C ATOM 331 CD GLU A 22 12.777 8.765 -4.734 1.00 0.00 C ATOM 332 OE1 GLU A 22 12.889 9.686 -5.568 1.00 0.00 O ATOM 333 OE2 GLU A 22 13.149 8.881 -3.548 1.00 0.00 O ATOM 0 H GLU A 22 11.159 5.285 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 22 8.906 6.314 -5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.296 8.300 -5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.339 7.704 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.535 6.651 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.491 7.227 -6.190 1.00 0.00 H new ATOM 340 N ASN A 23 11.213 4.911 -7.243 1.00 0.00 N ATOM 341 CA ASN A 23 11.516 4.419 -8.579 1.00 0.00 C ATOM 342 C ASN A 23 10.508 3.349 -8.979 1.00 0.00 C ATOM 343 O ASN A 23 10.699 2.630 -9.960 1.00 0.00 O ATOM 344 CB ASN A 23 12.939 3.860 -8.634 1.00 0.00 C ATOM 345 CG ASN A 23 13.995 4.937 -8.472 1.00 0.00 C ATOM 346 OD1 ASN A 23 14.452 5.529 -9.450 1.00 0.00 O ATOM 347 ND2 ASN A 23 14.391 5.205 -7.236 1.00 0.00 N ATOM 0 H ASN A 23 11.736 4.450 -6.498 1.00 0.00 H new ATOM 0 HA ASN A 23 11.447 5.248 -9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.063 3.114 -7.849 1.00 0.00 H new ATOM 0 HB3 ASN A 23 13.089 3.350 -9.586 1.00 0.00 H new ATOM 0 HD21 ASN A 23 15.097 5.922 -7.071 1.00 0.00 H new ATOM 0 HD22 ASN A 23 13.990 4.694 -6.450 1.00 0.00 H new ATOM 354 N TYR A 24 9.436 3.254 -8.186 1.00 0.00 N ATOM 355 CA TYR A 24 8.308 2.364 -8.456 1.00 0.00 C ATOM 356 C TYR A 24 8.734 0.905 -8.397 1.00 0.00 C ATOM 357 O TYR A 24 8.128 0.037 -9.020 1.00 0.00 O ATOM 358 CB TYR A 24 7.673 2.709 -9.808 1.00 0.00 C ATOM 359 CG TYR A 24 7.377 4.186 -9.945 1.00 0.00 C ATOM 360 CD1 TYR A 24 6.375 4.788 -9.195 1.00 0.00 C ATOM 361 CD2 TYR A 24 8.121 4.982 -10.804 1.00 0.00 C ATOM 362 CE1 TYR A 24 6.125 6.143 -9.300 1.00 0.00 C ATOM 363 CE2 TYR A 24 7.875 6.334 -10.917 1.00 0.00 C ATOM 364 CZ TYR A 24 6.879 6.911 -10.163 1.00 0.00 C ATOM 365 OH TYR A 24 6.633 8.262 -10.274 1.00 0.00 O ATOM 0 H TYR A 24 9.328 3.799 -7.331 1.00 0.00 H new ATOM 0 HA TYR A 24 7.557 2.512 -7.680 1.00 0.00 H new ATOM 0 HB2 TYR A 24 8.342 2.399 -10.611 1.00 0.00 H new ATOM 0 HB3 TYR A 24 6.749 2.143 -9.927 1.00 0.00 H new ATOM 0 HD1 TYR A 24 5.783 4.188 -8.520 1.00 0.00 H new ATOM 0 HD2 TYR A 24 8.907 4.535 -11.395 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.344 6.598 -8.710 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.461 6.937 -11.594 1.00 0.00 H new ATOM 0 HH TYR A 24 7.253 8.655 -10.923 1.00 0.00 H new ATOM 375 N ASN A 25 9.767 0.647 -7.609 1.00 0.00 N ATOM 376 CA ASN A 25 10.279 -0.702 -7.418 1.00 0.00 C ATOM 377 C ASN A 25 9.727 -1.285 -6.124 1.00 0.00 C ATOM 378 O ASN A 25 9.775 -0.634 -5.081 1.00 0.00 O ATOM 379 CB ASN A 25 11.810 -0.686 -7.367 1.00 0.00 C ATOM 380 CG ASN A 25 12.433 -0.110 -8.625 1.00 0.00 C ATOM 381 OD1 ASN A 25 11.912 -0.280 -9.728 1.00 0.00 O ATOM 382 ND2 ASN A 25 13.545 0.593 -8.469 1.00 0.00 N ATOM 0 H ASN A 25 10.272 1.363 -7.086 1.00 0.00 H new ATOM 0 HA ASN A 25 9.961 -1.321 -8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 25 12.134 -0.102 -6.506 1.00 0.00 H new ATOM 0 HB3 ASN A 25 12.175 -1.702 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.999 1.015 -9.279 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.947 0.712 -7.539 1.00 0.00 H new ATOM 389 N LEU A 26 9.181 -2.491 -6.198 1.00 0.00 N ATOM 390 CA LEU A 26 8.639 -3.161 -5.025 1.00 0.00 C ATOM 391 C LEU A 26 9.723 -3.428 -3.986 1.00 0.00 C ATOM 392 O LEU A 26 10.772 -3.995 -4.293 1.00 0.00 O ATOM 393 CB LEU A 26 7.970 -4.474 -5.432 1.00 0.00 C ATOM 394 CG LEU A 26 7.446 -5.319 -4.272 1.00 0.00 C ATOM 395 CD1 LEU A 26 6.504 -4.503 -3.405 1.00 0.00 C ATOM 396 CD2 LEU A 26 6.746 -6.561 -4.796 1.00 0.00 C ATOM 0 H LEU A 26 9.102 -3.027 -7.062 1.00 0.00 H new ATOM 0 HA LEU A 26 7.897 -2.501 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.140 -4.249 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.686 -5.068 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 26 8.293 -5.632 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.140 -5.120 -2.583 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.035 -3.640 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.660 -4.163 -4.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.378 -7.153 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.908 -6.267 -5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.449 -7.156 -5.379 1.00 0.00 H new ATOM 408 N LEU A 27 9.459 -3.015 -2.755 1.00 0.00 N ATOM 409 CA LEU A 27 10.392 -3.218 -1.657 1.00 0.00 C ATOM 410 C LEU A 27 9.861 -4.268 -0.687 1.00 0.00 C ATOM 411 O LEU A 27 10.531 -5.259 -0.396 1.00 0.00 O ATOM 412 CB LEU A 27 10.625 -1.902 -0.907 1.00 0.00 C ATOM 413 CG LEU A 27 11.091 -0.728 -1.768 1.00 0.00 C ATOM 414 CD1 LEU A 27 11.239 0.522 -0.917 1.00 0.00 C ATOM 415 CD2 LEU A 27 12.401 -1.063 -2.462 1.00 0.00 C ATOM 0 H LEU A 27 8.599 -2.534 -2.491 1.00 0.00 H new ATOM 0 HA LEU A 27 11.336 -3.567 -2.075 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.698 -1.619 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.366 -2.075 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 27 10.339 -0.538 -2.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.571 1.351 -1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.279 0.771 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 27 11.973 0.343 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.717 -0.216 -3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 27 13.164 -1.278 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.262 -1.936 -3.100 1.00 0.00 H new ATOM 427 N ASP A 28 8.644 -4.056 -0.203 1.00 0.00 N ATOM 428 CA ASP A 28 8.050 -4.943 0.792 1.00 0.00 C ATOM 429 C ASP A 28 6.641 -5.341 0.396 1.00 0.00 C ATOM 430 O ASP A 28 5.877 -4.531 -0.131 1.00 0.00 O ATOM 431 CB ASP A 28 8.022 -4.272 2.170 1.00 0.00 C ATOM 432 CG ASP A 28 7.243 -5.077 3.196 1.00 0.00 C ATOM 433 OD1 ASP A 28 7.847 -5.945 3.860 1.00 0.00 O ATOM 434 OD2 ASP A 28 6.024 -4.846 3.343 1.00 0.00 O ATOM 0 H ASP A 28 8.048 -3.277 -0.483 1.00 0.00 H new ATOM 0 HA ASP A 28 8.668 -5.839 0.842 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.044 -4.132 2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.578 -3.281 2.078 1.00 0.00 H new ATOM 439 N THR A 29 6.304 -6.592 0.644 1.00 0.00 N ATOM 440 CA THR A 29 4.965 -7.082 0.407 1.00 0.00 C ATOM 441 C THR A 29 4.399 -7.685 1.689 1.00 0.00 C ATOM 442 O THR A 29 4.968 -8.627 2.242 1.00 0.00 O ATOM 443 CB THR A 29 4.962 -8.133 -0.712 1.00 0.00 C ATOM 444 OG1 THR A 29 5.668 -7.624 -1.852 1.00 0.00 O ATOM 445 CG2 THR A 29 3.542 -8.487 -1.109 1.00 0.00 C ATOM 0 H THR A 29 6.948 -7.291 1.013 1.00 0.00 H new ATOM 0 HA THR A 29 4.340 -6.245 0.096 1.00 0.00 H new ATOM 0 HB THR A 29 5.456 -9.033 -0.346 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.283 -8.309 -2.189 1.00 0.00 H new ATOM 0 HG21 THR A 29 3.562 -9.233 -1.903 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.012 -8.890 -0.246 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.030 -7.593 -1.464 1.00 0.00 H new ATOM 453 N SER A 30 3.297 -7.128 2.169 1.00 0.00 N ATOM 454 CA SER A 30 2.696 -7.584 3.412 1.00 0.00 C ATOM 455 C SER A 30 1.188 -7.765 3.259 1.00 0.00 C ATOM 456 O SER A 30 0.546 -7.076 2.462 1.00 0.00 O ATOM 457 CB SER A 30 2.996 -6.585 4.533 1.00 0.00 C ATOM 458 OG SER A 30 4.395 -6.453 4.738 1.00 0.00 O ATOM 0 H SER A 30 2.801 -6.360 1.716 1.00 0.00 H new ATOM 0 HA SER A 30 3.128 -8.552 3.667 1.00 0.00 H new ATOM 0 HB2 SER A 30 2.569 -5.614 4.283 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.519 -6.915 5.456 1.00 0.00 H new ATOM 0 HG SER A 30 4.760 -5.805 4.099 1.00 0.00 H new ATOM 464 N GLY A 31 0.638 -8.709 4.010 1.00 0.00 N ATOM 465 CA GLY A 31 -0.792 -8.935 4.007 1.00 0.00 C ATOM 466 C GLY A 31 -1.264 -9.647 2.758 1.00 0.00 C ATOM 467 O GLY A 31 -0.508 -10.392 2.130 1.00 0.00 O ATOM 0 H GLY A 31 1.164 -9.328 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.065 -9.524 4.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.308 -7.979 4.093 1.00 0.00 H new ATOM 471 N VAL A 32 -2.511 -9.398 2.381 1.00 0.00 N ATOM 472 CA VAL A 32 -3.108 -10.025 1.203 1.00 0.00 C ATOM 473 C VAL A 32 -2.385 -9.597 -0.074 1.00 0.00 C ATOM 474 O VAL A 32 -2.497 -10.241 -1.116 1.00 0.00 O ATOM 475 CB VAL A 32 -4.604 -9.674 1.079 1.00 0.00 C ATOM 476 CG1 VAL A 32 -5.247 -10.439 -0.063 1.00 0.00 C ATOM 477 CG2 VAL A 32 -5.325 -9.956 2.385 1.00 0.00 C ATOM 0 H VAL A 32 -3.135 -8.761 2.877 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.006 -11.103 1.330 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.687 -8.609 0.861 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.302 -10.174 -0.130 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.749 -10.183 -0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.153 -11.510 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.380 -9.703 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.228 -11.013 2.633 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.885 -9.355 3.181 1.00 0.00 H new ATOM 487 N ALA A 33 -1.612 -8.527 0.025 1.00 0.00 N ATOM 488 CA ALA A 33 -0.874 -8.008 -1.118 1.00 0.00 C ATOM 489 C ALA A 33 0.125 -9.034 -1.648 1.00 0.00 C ATOM 490 O ALA A 33 0.648 -8.889 -2.748 1.00 0.00 O ATOM 491 CB ALA A 33 -0.155 -6.727 -0.736 1.00 0.00 C ATOM 0 H ALA A 33 -1.479 -7.999 0.887 1.00 0.00 H new ATOM 0 HA ALA A 33 -1.590 -7.796 -1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.394 -6.347 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.883 -5.983 -0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.542 -6.930 0.077 1.00 0.00 H new ATOM 497 N LYS A 34 0.388 -10.069 -0.855 1.00 0.00 N ATOM 498 CA LYS A 34 1.309 -11.122 -1.250 1.00 0.00 C ATOM 499 C LYS A 34 0.695 -12.013 -2.329 1.00 0.00 C ATOM 500 O LYS A 34 1.397 -12.490 -3.221 1.00 0.00 O ATOM 501 CB LYS A 34 1.704 -11.958 -0.032 1.00 0.00 C ATOM 502 CG LYS A 34 2.440 -11.163 1.038 1.00 0.00 C ATOM 503 CD LYS A 34 2.827 -12.035 2.224 1.00 0.00 C ATOM 504 CE LYS A 34 1.605 -12.614 2.917 1.00 0.00 C ATOM 505 NZ LYS A 34 1.976 -13.519 4.035 1.00 0.00 N ATOM 0 H LYS A 34 -0.027 -10.198 0.068 1.00 0.00 H new ATOM 0 HA LYS A 34 2.202 -10.656 -1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.806 -12.396 0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.335 -12.785 -0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.336 -10.717 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.809 -10.343 1.380 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.472 -12.846 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.404 -11.446 2.936 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.986 -11.802 3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.002 -13.161 2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.113 -13.892 4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.546 -14.308 3.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.529 -12.991 4.740 1.00 0.00 H new ATOM 519 N VAL A 35 -0.615 -12.227 -2.253 1.00 0.00 N ATOM 520 CA VAL A 35 -1.302 -13.088 -3.214 1.00 0.00 C ATOM 521 C VAL A 35 -1.879 -12.267 -4.366 1.00 0.00 C ATOM 522 O VAL A 35 -2.210 -12.803 -5.425 1.00 0.00 O ATOM 523 CB VAL A 35 -2.421 -13.921 -2.547 1.00 0.00 C ATOM 524 CG1 VAL A 35 -1.847 -14.798 -1.446 1.00 0.00 C ATOM 525 CG2 VAL A 35 -3.522 -13.029 -1.997 1.00 0.00 C ATOM 0 H VAL A 35 -1.221 -11.819 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.558 -13.780 -3.608 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.861 -14.561 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.648 -15.377 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.106 -15.476 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.375 -14.171 -0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.293 -13.646 -1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.104 -12.352 -1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.960 -12.449 -2.809 1.00 0.00 H new ATOM 535 N ILE A 36 -2.004 -10.965 -4.147 1.00 0.00 N ATOM 536 CA ILE A 36 -2.426 -10.040 -5.190 1.00 0.00 C ATOM 537 C ILE A 36 -1.246 -9.720 -6.112 1.00 0.00 C ATOM 538 O ILE A 36 -0.099 -9.691 -5.664 1.00 0.00 O ATOM 539 CB ILE A 36 -2.990 -8.742 -4.562 1.00 0.00 C ATOM 540 CG1 ILE A 36 -4.258 -9.056 -3.758 1.00 0.00 C ATOM 541 CG2 ILE A 36 -3.283 -7.697 -5.627 1.00 0.00 C ATOM 542 CD1 ILE A 36 -4.737 -7.904 -2.904 1.00 0.00 C ATOM 0 H ILE A 36 -1.817 -10.522 -3.247 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.215 -10.507 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.235 -8.332 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.053 -9.341 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.067 -9.917 -3.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.678 -6.797 -5.155 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.364 -7.454 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.017 -8.090 -6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.637 -8.200 -2.365 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.959 -7.632 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.960 -7.048 -3.540 1.00 0.00 H new ATOM 554 N GLU A 37 -1.519 -9.510 -7.396 1.00 0.00 N ATOM 555 CA GLU A 37 -0.460 -9.254 -8.369 1.00 0.00 C ATOM 556 C GLU A 37 -0.037 -7.785 -8.362 1.00 0.00 C ATOM 557 O GLU A 37 -0.788 -6.911 -7.931 1.00 0.00 O ATOM 558 CB GLU A 37 -0.904 -9.670 -9.770 1.00 0.00 C ATOM 559 CG GLU A 37 -2.130 -8.934 -10.272 1.00 0.00 C ATOM 560 CD GLU A 37 -2.523 -9.368 -11.664 1.00 0.00 C ATOM 561 OE1 GLU A 37 -2.024 -8.772 -12.640 1.00 0.00 O ATOM 562 OE2 GLU A 37 -3.326 -10.316 -11.790 1.00 0.00 O ATOM 0 H GLU A 37 -2.461 -9.512 -7.787 1.00 0.00 H new ATOM 0 HA GLU A 37 0.403 -9.854 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.082 -9.502 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.109 -10.740 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.962 -9.109 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.935 -7.862 -10.269 1.00 0.00 H new ATOM 569 N LYS A 38 1.167 -7.528 -8.863 1.00 0.00 N ATOM 570 CA LYS A 38 1.778 -6.202 -8.792 1.00 0.00 C ATOM 571 C LYS A 38 1.856 -5.567 -10.179 1.00 0.00 C ATOM 572 O LYS A 38 2.345 -4.446 -10.326 1.00 0.00 O ATOM 573 CB LYS A 38 3.202 -6.301 -8.210 1.00 0.00 C ATOM 574 CG LYS A 38 3.291 -6.523 -6.698 1.00 0.00 C ATOM 575 CD LYS A 38 2.445 -7.696 -6.229 1.00 0.00 C ATOM 576 CE LYS A 38 2.938 -8.273 -4.913 1.00 0.00 C ATOM 577 NZ LYS A 38 3.992 -9.301 -5.120 1.00 0.00 N ATOM 0 H LYS A 38 1.745 -8.228 -9.328 1.00 0.00 H new ATOM 0 HA LYS A 38 1.157 -5.582 -8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.722 -7.119 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.739 -5.385 -8.456 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.331 -6.696 -6.420 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.969 -5.618 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.410 -7.373 -6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.454 -8.475 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.331 -7.470 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.100 -8.715 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.302 -9.670 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.610 -10.079 -5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.802 -8.873 -5.612 1.00 0.00 H new ATOM 591 N SER A 39 1.349 -6.288 -11.175 1.00 0.00 N ATOM 592 CA SER A 39 1.546 -5.954 -12.588 1.00 0.00 C ATOM 593 C SER A 39 1.274 -4.471 -12.924 1.00 0.00 C ATOM 594 O SER A 39 2.206 -3.746 -13.289 1.00 0.00 O ATOM 595 CB SER A 39 0.673 -6.871 -13.449 1.00 0.00 C ATOM 596 OG SER A 39 0.591 -8.170 -12.882 1.00 0.00 O ATOM 0 H SER A 39 0.786 -7.126 -11.027 1.00 0.00 H new ATOM 0 HA SER A 39 2.601 -6.114 -12.809 1.00 0.00 H new ATOM 0 HB2 SER A 39 -0.327 -6.446 -13.542 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.087 -6.934 -14.455 1.00 0.00 H new ATOM 0 HG SER A 39 -0.298 -8.545 -13.051 1.00 0.00 H new ATOM 602 N PRO A 40 0.022 -3.977 -12.806 1.00 0.00 N ATOM 603 CA PRO A 40 -0.334 -2.640 -13.277 1.00 0.00 C ATOM 604 C PRO A 40 -0.241 -1.569 -12.194 1.00 0.00 C ATOM 605 O PRO A 40 -0.537 -0.400 -12.439 1.00 0.00 O ATOM 606 CB PRO A 40 -1.784 -2.839 -13.702 1.00 0.00 C ATOM 607 CG PRO A 40 -2.329 -3.861 -12.751 1.00 0.00 C ATOM 608 CD PRO A 40 -1.152 -4.654 -12.222 1.00 0.00 C ATOM 0 HA PRO A 40 0.337 -2.284 -14.058 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.344 -1.906 -13.643 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.849 -3.185 -14.734 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.866 -3.379 -11.934 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.039 -4.516 -13.256 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.119 -4.642 -11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.204 -5.699 -12.528 1.00 0.00 H new ATOM 616 N ILE A 41 0.189 -1.964 -11.007 1.00 0.00 N ATOM 617 CA ILE A 41 0.142 -1.080 -9.852 1.00 0.00 C ATOM 618 C ILE A 41 1.175 0.042 -9.948 1.00 0.00 C ATOM 619 O ILE A 41 0.878 1.184 -9.610 1.00 0.00 O ATOM 620 CB ILE A 41 0.330 -1.864 -8.536 1.00 0.00 C ATOM 621 CG1 ILE A 41 -0.759 -2.935 -8.420 1.00 0.00 C ATOM 622 CG2 ILE A 41 0.291 -0.927 -7.334 1.00 0.00 C ATOM 623 CD1 ILE A 41 -0.713 -3.719 -7.130 1.00 0.00 C ATOM 0 H ILE A 41 0.574 -2.889 -10.817 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.849 -0.625 -9.847 1.00 0.00 H new ATOM 0 HB ILE A 41 1.307 -2.346 -8.549 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.735 -2.458 -8.509 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.665 -3.627 -9.257 1.00 0.00 H new ATOM 0 HG21 ILE A 41 0.426 -1.503 -6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.090 -0.191 -7.420 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -0.671 -0.416 -7.302 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.515 -4.457 -7.124 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.248 -4.227 -7.047 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.839 -3.040 -6.287 1.00 0.00 H new ATOM 635 N ALA A 42 2.370 -0.274 -10.439 1.00 0.00 N ATOM 636 CA ALA A 42 3.450 0.709 -10.515 1.00 0.00 C ATOM 637 C ALA A 42 3.052 1.899 -11.390 1.00 0.00 C ATOM 638 O ALA A 42 3.293 3.058 -11.037 1.00 0.00 O ATOM 639 CB ALA A 42 4.722 0.060 -11.042 1.00 0.00 C ATOM 0 H ALA A 42 2.616 -1.200 -10.790 1.00 0.00 H new ATOM 0 HA ALA A 42 3.639 1.082 -9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.516 0.805 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.023 -0.747 -10.373 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.539 -0.344 -12.038 1.00 0.00 H new ATOM 645 N GLU A 43 2.419 1.600 -12.516 1.00 0.00 N ATOM 646 CA GLU A 43 1.952 2.623 -13.441 1.00 0.00 C ATOM 647 C GLU A 43 0.894 3.504 -12.782 1.00 0.00 C ATOM 648 O GLU A 43 0.852 4.715 -12.991 1.00 0.00 O ATOM 649 CB GLU A 43 1.377 1.959 -14.691 1.00 0.00 C ATOM 650 CG GLU A 43 0.931 2.933 -15.767 1.00 0.00 C ATOM 651 CD GLU A 43 2.075 3.743 -16.334 1.00 0.00 C ATOM 652 OE1 GLU A 43 2.837 3.203 -17.164 1.00 0.00 O ATOM 653 OE2 GLU A 43 2.207 4.924 -15.972 1.00 0.00 O ATOM 0 H GLU A 43 2.215 0.646 -12.813 1.00 0.00 H new ATOM 0 HA GLU A 43 2.796 3.254 -13.721 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.128 1.291 -15.111 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.527 1.341 -14.402 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.448 2.381 -16.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.184 3.609 -15.352 1.00 0.00 H new ATOM 660 N ILE A 44 0.040 2.903 -11.974 1.00 0.00 N ATOM 661 CA ILE A 44 -1.007 3.661 -11.316 1.00 0.00 C ATOM 662 C ILE A 44 -0.438 4.444 -10.132 1.00 0.00 C ATOM 663 O ILE A 44 -0.959 5.496 -9.772 1.00 0.00 O ATOM 664 CB ILE A 44 -2.179 2.769 -10.847 1.00 0.00 C ATOM 665 CG1 ILE A 44 -2.612 1.811 -11.961 1.00 0.00 C ATOM 666 CG2 ILE A 44 -3.359 3.635 -10.426 1.00 0.00 C ATOM 667 CD1 ILE A 44 -3.100 2.505 -13.218 1.00 0.00 C ATOM 0 H ILE A 44 0.050 1.906 -11.760 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.404 4.357 -12.055 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.841 2.181 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.772 1.166 -12.218 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.405 1.166 -11.583 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.179 2.997 -10.097 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.057 4.288 -9.608 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.686 4.240 -11.272 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.388 1.758 -13.958 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.961 3.129 -12.978 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.302 3.128 -13.623 1.00 0.00 H new ATOM 679 N ILE A 45 0.648 3.943 -9.540 1.00 0.00 N ATOM 680 CA ILE A 45 1.290 4.628 -8.423 1.00 0.00 C ATOM 681 C ILE A 45 1.807 5.998 -8.849 1.00 0.00 C ATOM 682 O ILE A 45 1.600 6.991 -8.147 1.00 0.00 O ATOM 683 CB ILE A 45 2.455 3.808 -7.815 1.00 0.00 C ATOM 684 CG1 ILE A 45 1.919 2.560 -7.107 1.00 0.00 C ATOM 685 CG2 ILE A 45 3.267 4.657 -6.846 1.00 0.00 C ATOM 686 CD1 ILE A 45 2.988 1.764 -6.388 1.00 0.00 C ATOM 0 H ILE A 45 1.097 3.070 -9.816 1.00 0.00 H new ATOM 0 HA ILE A 45 0.524 4.746 -7.656 1.00 0.00 H new ATOM 0 HB ILE A 45 3.110 3.495 -8.628 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.156 2.860 -6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.431 1.918 -7.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.079 4.060 -6.432 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.681 5.516 -7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.623 5.003 -6.038 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.535 0.895 -5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.739 1.433 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.460 2.390 -5.631 1.00 0.00 H new ATOM 698 N ARG A 46 2.469 6.054 -10.001 1.00 0.00 N ATOM 699 CA ARG A 46 2.974 7.316 -10.524 1.00 0.00 C ATOM 700 C ARG A 46 1.823 8.246 -10.896 1.00 0.00 C ATOM 701 O ARG A 46 1.845 9.440 -10.582 1.00 0.00 O ATOM 702 CB ARG A 46 3.891 7.083 -11.727 1.00 0.00 C ATOM 703 CG ARG A 46 3.291 6.224 -12.822 1.00 0.00 C ATOM 704 CD ARG A 46 4.212 6.119 -14.025 1.00 0.00 C ATOM 705 NE ARG A 46 4.570 7.436 -14.549 1.00 0.00 N ATOM 706 CZ ARG A 46 4.031 7.984 -15.642 1.00 0.00 C ATOM 707 NH1 ARG A 46 3.127 7.327 -16.354 1.00 0.00 N ATOM 708 NH2 ARG A 46 4.398 9.201 -16.020 1.00 0.00 N ATOM 0 H ARG A 46 2.667 5.243 -10.587 1.00 0.00 H new ATOM 0 HA ARG A 46 3.561 7.794 -9.740 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.165 8.049 -12.151 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.812 6.615 -11.380 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.088 5.227 -12.432 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.335 6.646 -13.132 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.117 5.581 -13.744 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.724 5.537 -14.807 1.00 0.00 H new ATOM 0 HE ARG A 46 5.278 7.972 -14.047 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.835 6.392 -16.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.723 7.756 -17.186 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.090 9.717 -15.477 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.988 9.621 -16.854 1.00 0.00 H new ATOM 722 N LYS A 47 0.804 7.686 -11.537 1.00 0.00 N ATOM 723 CA LYS A 47 -0.385 8.453 -11.891 1.00 0.00 C ATOM 724 C LYS A 47 -1.029 9.032 -10.637 1.00 0.00 C ATOM 725 O LYS A 47 -1.360 10.217 -10.582 1.00 0.00 O ATOM 726 CB LYS A 47 -1.387 7.572 -12.641 1.00 0.00 C ATOM 727 CG LYS A 47 -0.890 7.111 -13.999 1.00 0.00 C ATOM 728 CD LYS A 47 -1.877 6.163 -14.659 1.00 0.00 C ATOM 729 CE LYS A 47 -1.422 5.773 -16.055 1.00 0.00 C ATOM 730 NZ LYS A 47 -2.388 4.861 -16.723 1.00 0.00 N ATOM 0 H LYS A 47 0.777 6.707 -11.822 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.087 9.273 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.618 6.698 -12.032 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.318 8.124 -12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.729 7.976 -14.642 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.074 6.614 -13.886 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.988 5.268 -14.048 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.858 6.636 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.295 6.672 -16.659 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.447 5.288 -15.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.039 4.620 -17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.490 3.992 -16.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.312 5.332 -16.803 1.00 0.00 H new ATOM 744 N SER A 48 -1.161 8.195 -9.620 1.00 0.00 N ATOM 745 CA SER A 48 -1.746 8.603 -8.360 1.00 0.00 C ATOM 746 C SER A 48 -0.821 9.558 -7.614 1.00 0.00 C ATOM 747 O SER A 48 -1.271 10.358 -6.812 1.00 0.00 O ATOM 748 CB SER A 48 -2.041 7.378 -7.501 1.00 0.00 C ATOM 749 OG SER A 48 -2.901 6.483 -8.179 1.00 0.00 O ATOM 0 H SER A 48 -0.866 7.219 -9.648 1.00 0.00 H new ATOM 0 HA SER A 48 -2.679 9.127 -8.568 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.109 6.873 -7.249 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.499 7.689 -6.562 1.00 0.00 H new ATOM 0 HG SER A 48 -2.428 6.089 -8.941 1.00 0.00 H new ATOM 755 N ASN A 49 0.476 9.471 -7.884 1.00 0.00 N ATOM 756 CA ASN A 49 1.442 10.381 -7.274 1.00 0.00 C ATOM 757 C ASN A 49 1.109 11.820 -7.641 1.00 0.00 C ATOM 758 O ASN A 49 1.228 12.725 -6.821 1.00 0.00 O ATOM 759 CB ASN A 49 2.867 10.031 -7.717 1.00 0.00 C ATOM 760 CG ASN A 49 3.903 11.013 -7.204 1.00 0.00 C ATOM 761 OD1 ASN A 49 4.390 10.886 -6.084 1.00 0.00 O ATOM 762 ND2 ASN A 49 4.266 11.980 -8.032 1.00 0.00 N ATOM 0 H ASN A 49 0.883 8.784 -8.518 1.00 0.00 H new ATOM 0 HA ASN A 49 1.385 10.273 -6.191 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.116 9.030 -7.364 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.907 10.004 -8.806 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.976 12.655 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.836 12.050 -8.954 1.00 0.00 H new ATOM 769 N ALA A 50 0.672 12.011 -8.876 1.00 0.00 N ATOM 770 CA ALA A 50 0.261 13.328 -9.343 1.00 0.00 C ATOM 771 C ALA A 50 -1.147 13.671 -8.857 1.00 0.00 C ATOM 772 O ALA A 50 -1.466 14.836 -8.619 1.00 0.00 O ATOM 773 CB ALA A 50 0.327 13.387 -10.861 1.00 0.00 C ATOM 0 H ALA A 50 0.592 11.271 -9.574 1.00 0.00 H new ATOM 0 HA ALA A 50 0.947 14.067 -8.929 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.018 14.376 -11.200 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.349 13.194 -11.189 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.338 12.634 -11.284 1.00 0.00 H new ATOM 779 N GLU A 51 -1.979 12.647 -8.702 1.00 0.00 N ATOM 780 CA GLU A 51 -3.379 12.834 -8.328 1.00 0.00 C ATOM 781 C GLU A 51 -3.552 13.169 -6.846 1.00 0.00 C ATOM 782 O GLU A 51 -4.256 14.116 -6.493 1.00 0.00 O ATOM 783 CB GLU A 51 -4.182 11.573 -8.651 1.00 0.00 C ATOM 784 CG GLU A 51 -4.301 11.284 -10.135 1.00 0.00 C ATOM 785 CD GLU A 51 -4.980 12.408 -10.885 1.00 0.00 C ATOM 786 OE1 GLU A 51 -6.203 12.582 -10.716 1.00 0.00 O ATOM 787 OE2 GLU A 51 -4.295 13.124 -11.642 1.00 0.00 O ATOM 0 H GLU A 51 -1.707 11.672 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.748 13.680 -8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.713 10.720 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -5.182 11.673 -8.229 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.307 11.120 -10.552 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -4.864 10.362 -10.279 1.00 0.00 H new ATOM 794 N LEU A 52 -2.915 12.390 -5.988 1.00 0.00 N ATOM 795 CA LEU A 52 -3.162 12.474 -4.555 1.00 0.00 C ATOM 796 C LEU A 52 -2.000 13.112 -3.811 1.00 0.00 C ATOM 797 O LEU A 52 -0.923 13.326 -4.369 1.00 0.00 O ATOM 798 CB LEU A 52 -3.438 11.068 -3.992 1.00 0.00 C ATOM 799 CG LEU A 52 -2.322 10.036 -4.208 1.00 0.00 C ATOM 800 CD1 LEU A 52 -1.187 10.225 -3.222 1.00 0.00 C ATOM 801 CD2 LEU A 52 -2.860 8.627 -4.115 1.00 0.00 C ATOM 0 H LEU A 52 -2.222 11.691 -6.257 1.00 0.00 H new ATOM 0 HA LEU A 52 -4.034 13.111 -4.406 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.626 11.155 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.353 10.688 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.929 10.196 -5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.416 9.476 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.762 11.221 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.565 10.114 -2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.048 7.917 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.296 8.468 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.625 8.478 -4.877 1.00 0.00 H new ATOM 813 N GLY A 53 -2.238 13.398 -2.540 1.00 0.00 N ATOM 814 CA GLY A 53 -1.182 13.822 -1.651 1.00 0.00 C ATOM 815 C GLY A 53 -1.112 12.927 -0.430 1.00 0.00 C ATOM 816 O GLY A 53 -0.318 11.988 -0.381 1.00 0.00 O ATOM 0 H GLY A 53 -3.159 13.342 -2.105 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.228 13.801 -2.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.353 14.853 -1.342 1.00 0.00 H new ATOM 820 N ARG A 54 -1.974 13.196 0.541 1.00 0.00 N ATOM 821 CA ARG A 54 -2.018 12.410 1.770 1.00 0.00 C ATOM 822 C ARG A 54 -3.260 11.507 1.783 1.00 0.00 C ATOM 823 O ARG A 54 -3.562 10.843 2.777 1.00 0.00 O ATOM 824 CB ARG A 54 -2.001 13.360 2.980 1.00 0.00 C ATOM 825 CG ARG A 54 -1.771 12.680 4.324 1.00 0.00 C ATOM 826 CD ARG A 54 -3.047 12.629 5.150 1.00 0.00 C ATOM 827 NE ARG A 54 -3.555 13.967 5.450 1.00 0.00 N ATOM 828 CZ ARG A 54 -4.843 14.298 5.442 1.00 0.00 C ATOM 829 NH1 ARG A 54 -5.768 13.380 5.185 1.00 0.00 N ATOM 830 NH2 ARG A 54 -5.209 15.547 5.699 1.00 0.00 N ATOM 0 H ARG A 54 -2.655 13.955 0.503 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.143 11.762 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.220 14.105 2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.950 13.895 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.401 11.668 4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.000 13.217 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.807 12.065 4.610 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.856 12.096 6.081 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.877 14.694 5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.491 12.417 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.755 13.638 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.502 16.254 5.903 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -6.197 15.800 5.693 1.00 0.00 H new ATOM 844 N LEU A 55 -3.973 11.476 0.666 1.00 0.00 N ATOM 845 CA LEU A 55 -5.159 10.634 0.543 1.00 0.00 C ATOM 846 C LEU A 55 -4.835 9.378 -0.256 1.00 0.00 C ATOM 847 O LEU A 55 -3.841 9.335 -0.983 1.00 0.00 O ATOM 848 CB LEU A 55 -6.323 11.372 -0.137 1.00 0.00 C ATOM 849 CG LEU A 55 -6.869 12.613 0.586 1.00 0.00 C ATOM 850 CD1 LEU A 55 -7.093 12.328 2.062 1.00 0.00 C ATOM 851 CD2 LEU A 55 -5.948 13.807 0.393 1.00 0.00 C ATOM 0 H LEU A 55 -3.753 12.022 -0.167 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.466 10.367 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.999 11.673 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -7.143 10.666 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.833 12.862 0.143 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.480 13.222 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.812 11.516 2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.149 12.041 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.359 14.671 0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.962 13.575 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.862 14.032 -0.670 1.00 0.00 H new ATOM 863 N GLY A 56 -5.680 8.366 -0.119 1.00 0.00 N ATOM 864 CA GLY A 56 -5.468 7.116 -0.814 1.00 0.00 C ATOM 865 C GLY A 56 -6.345 6.966 -2.034 1.00 0.00 C ATOM 866 O GLY A 56 -7.552 6.740 -1.924 1.00 0.00 O ATOM 0 H GLY A 56 -6.515 8.391 0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -4.422 7.045 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.660 6.289 -0.131 1.00 0.00 H new ATOM 870 N TYR A 57 -5.727 7.089 -3.193 1.00 0.00 N ATOM 871 CA TYR A 57 -6.412 6.918 -4.463 1.00 0.00 C ATOM 872 C TYR A 57 -6.428 5.437 -4.816 1.00 0.00 C ATOM 873 O TYR A 57 -5.392 4.770 -4.753 1.00 0.00 O ATOM 874 CB TYR A 57 -5.680 7.725 -5.541 1.00 0.00 C ATOM 875 CG TYR A 57 -6.408 7.887 -6.855 1.00 0.00 C ATOM 876 CD1 TYR A 57 -7.337 8.903 -7.033 1.00 0.00 C ATOM 877 CD2 TYR A 57 -6.133 7.053 -7.929 1.00 0.00 C ATOM 878 CE1 TYR A 57 -7.972 9.082 -8.245 1.00 0.00 C ATOM 879 CE2 TYR A 57 -6.767 7.222 -9.142 1.00 0.00 C ATOM 880 CZ TYR A 57 -7.685 8.239 -9.297 1.00 0.00 C ATOM 881 OH TYR A 57 -8.310 8.421 -10.511 1.00 0.00 O ATOM 0 H TYR A 57 -4.735 7.310 -3.282 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.439 7.277 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.466 8.717 -5.142 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.720 7.246 -5.736 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -7.566 9.564 -6.210 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.411 6.258 -7.813 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.690 9.879 -8.369 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -6.545 6.561 -9.967 1.00 0.00 H new ATOM 0 HH TYR A 57 -7.996 7.744 -11.146 1.00 0.00 H new ATOM 891 N SER A 58 -7.598 4.915 -5.140 1.00 0.00 N ATOM 892 CA SER A 58 -7.735 3.509 -5.482 1.00 0.00 C ATOM 893 C SER A 58 -6.990 3.194 -6.777 1.00 0.00 C ATOM 894 O SER A 58 -7.341 3.687 -7.851 1.00 0.00 O ATOM 895 CB SER A 58 -9.213 3.148 -5.595 1.00 0.00 C ATOM 896 OG SER A 58 -9.898 3.510 -4.406 1.00 0.00 O ATOM 0 H SER A 58 -8.469 5.445 -5.174 1.00 0.00 H new ATOM 0 HA SER A 58 -7.290 2.905 -4.691 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.656 3.661 -6.449 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.321 2.078 -5.774 1.00 0.00 H new ATOM 0 HG SER A 58 -9.289 3.434 -3.642 1.00 0.00 H new ATOM 902 N VAL A 59 -5.944 2.389 -6.657 1.00 0.00 N ATOM 903 CA VAL A 59 -5.088 2.067 -7.789 1.00 0.00 C ATOM 904 C VAL A 59 -5.395 0.682 -8.345 1.00 0.00 C ATOM 905 O VAL A 59 -5.259 0.438 -9.542 1.00 0.00 O ATOM 906 CB VAL A 59 -3.591 2.140 -7.406 1.00 0.00 C ATOM 907 CG1 VAL A 59 -3.238 3.531 -6.915 1.00 0.00 C ATOM 908 CG2 VAL A 59 -3.235 1.101 -6.352 1.00 0.00 C ATOM 0 H VAL A 59 -5.667 1.945 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.295 2.812 -8.557 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.008 1.922 -8.301 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.181 3.566 -6.649 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.438 4.257 -7.703 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.840 3.771 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.176 1.180 -6.106 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.830 1.274 -5.455 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.444 0.104 -6.739 1.00 0.00 H new ATOM 918 N TYR A 60 -5.814 -0.220 -7.474 1.00 0.00 N ATOM 919 CA TYR A 60 -6.063 -1.589 -7.872 1.00 0.00 C ATOM 920 C TYR A 60 -7.397 -2.067 -7.319 1.00 0.00 C ATOM 921 O TYR A 60 -7.499 -2.411 -6.146 1.00 0.00 O ATOM 922 CB TYR A 60 -4.929 -2.486 -7.372 1.00 0.00 C ATOM 923 CG TYR A 60 -5.022 -3.915 -7.854 1.00 0.00 C ATOM 924 CD1 TYR A 60 -4.528 -4.277 -9.098 1.00 0.00 C ATOM 925 CD2 TYR A 60 -5.600 -4.898 -7.064 1.00 0.00 C ATOM 926 CE1 TYR A 60 -4.607 -5.580 -9.546 1.00 0.00 C ATOM 927 CE2 TYR A 60 -5.683 -6.206 -7.503 1.00 0.00 C ATOM 928 CZ TYR A 60 -5.184 -6.541 -8.745 1.00 0.00 C ATOM 929 OH TYR A 60 -5.260 -7.842 -9.189 1.00 0.00 O ATOM 0 H TYR A 60 -5.988 -0.026 -6.488 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.104 -1.640 -8.960 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.977 -2.065 -7.695 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.927 -2.480 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -4.073 -3.526 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.991 -4.637 -6.092 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.219 -5.845 -10.518 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -6.136 -6.961 -6.878 1.00 0.00 H new ATOM 0 HH TYR A 60 -5.693 -8.396 -8.506 1.00 0.00 H new ATOM 939 N GLU A 61 -8.423 -2.064 -8.150 1.00 0.00 N ATOM 940 CA GLU A 61 -9.729 -2.529 -7.721 1.00 0.00 C ATOM 941 C GLU A 61 -10.013 -3.910 -8.291 1.00 0.00 C ATOM 942 O GLU A 61 -10.158 -4.084 -9.501 1.00 0.00 O ATOM 943 CB GLU A 61 -10.820 -1.539 -8.128 1.00 0.00 C ATOM 944 CG GLU A 61 -12.226 -1.988 -7.757 1.00 0.00 C ATOM 945 CD GLU A 61 -13.249 -0.881 -7.898 1.00 0.00 C ATOM 946 OE1 GLU A 61 -13.533 -0.462 -9.038 1.00 0.00 O ATOM 947 OE2 GLU A 61 -13.769 -0.413 -6.863 1.00 0.00 O ATOM 0 H GLU A 61 -8.379 -1.747 -9.119 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.728 -2.599 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.619 -0.577 -7.656 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.771 -1.382 -9.205 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.514 -2.827 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.228 -2.350 -6.729 1.00 0.00 H new ATOM 954 N ASP A 62 -10.068 -4.885 -7.405 1.00 0.00 N ATOM 955 CA ASP A 62 -10.367 -6.255 -7.773 1.00 0.00 C ATOM 956 C ASP A 62 -11.658 -6.662 -7.080 1.00 0.00 C ATOM 957 O ASP A 62 -12.126 -5.954 -6.185 1.00 0.00 O ATOM 958 CB ASP A 62 -9.203 -7.170 -7.359 1.00 0.00 C ATOM 959 CG ASP A 62 -9.388 -8.614 -7.787 1.00 0.00 C ATOM 960 OD1 ASP A 62 -8.977 -8.967 -8.912 1.00 0.00 O ATOM 961 OD2 ASP A 62 -9.934 -9.403 -6.998 1.00 0.00 O ATOM 0 H ASP A 62 -9.906 -4.749 -6.407 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.493 -6.346 -8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.278 -6.787 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.089 -7.132 -6.276 1.00 0.00 H new ATOM 966 N ALA A 63 -12.242 -7.777 -7.483 1.00 0.00 N ATOM 967 CA ALA A 63 -13.486 -8.233 -6.886 1.00 0.00 C ATOM 968 C ALA A 63 -13.258 -8.679 -5.446 1.00 0.00 C ATOM 969 O ALA A 63 -14.186 -8.713 -4.633 1.00 0.00 O ATOM 970 CB ALA A 63 -14.093 -9.358 -7.709 1.00 0.00 C ATOM 0 H ALA A 63 -11.877 -8.382 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 63 -14.189 -7.400 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.024 -9.686 -7.246 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.296 -9.001 -8.719 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -13.395 -10.194 -7.753 1.00 0.00 H new ATOM 976 N GLN A 64 -12.015 -9.011 -5.135 1.00 0.00 N ATOM 977 CA GLN A 64 -11.647 -9.442 -3.798 1.00 0.00 C ATOM 978 C GLN A 64 -11.322 -8.241 -2.913 1.00 0.00 C ATOM 979 O GLN A 64 -11.958 -8.028 -1.878 1.00 0.00 O ATOM 980 CB GLN A 64 -10.436 -10.368 -3.863 1.00 0.00 C ATOM 981 CG GLN A 64 -10.601 -11.527 -4.828 1.00 0.00 C ATOM 982 CD GLN A 64 -9.286 -12.215 -5.126 1.00 0.00 C ATOM 983 OE1 GLN A 64 -8.908 -13.183 -4.468 1.00 0.00 O ATOM 984 NE2 GLN A 64 -8.566 -11.693 -6.103 1.00 0.00 N ATOM 0 H GLN A 64 -11.239 -8.989 -5.797 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.493 -9.977 -3.367 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.561 -9.787 -4.155 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.239 -10.763 -2.866 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -11.300 -12.250 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.038 -11.164 -5.758 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.919 -10.890 -6.623 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.658 -12.094 -6.337 1.00 0.00 H new ATOM 993 N TYR A 65 -10.336 -7.453 -3.332 1.00 0.00 N ATOM 994 CA TYR A 65 -9.830 -6.349 -2.520 1.00 0.00 C ATOM 995 C TYR A 65 -9.585 -5.114 -3.384 1.00 0.00 C ATOM 996 O TYR A 65 -9.559 -5.199 -4.610 1.00 0.00 O ATOM 997 CB TYR A 65 -8.522 -6.751 -1.821 1.00 0.00 C ATOM 998 CG TYR A 65 -8.613 -8.028 -1.008 1.00 0.00 C ATOM 999 CD1 TYR A 65 -8.382 -9.268 -1.591 1.00 0.00 C ATOM 1000 CD2 TYR A 65 -8.948 -7.991 0.337 1.00 0.00 C ATOM 1001 CE1 TYR A 65 -8.488 -10.434 -0.856 1.00 0.00 C ATOM 1002 CE2 TYR A 65 -9.050 -9.151 1.079 1.00 0.00 C ATOM 1003 CZ TYR A 65 -8.823 -10.367 0.479 1.00 0.00 C ATOM 1004 OH TYR A 65 -8.933 -11.524 1.217 1.00 0.00 O ATOM 0 H TYR A 65 -9.869 -7.559 -4.233 1.00 0.00 H new ATOM 0 HA TYR A 65 -10.582 -6.113 -1.767 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -7.743 -6.869 -2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -8.210 -5.938 -1.165 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.115 -9.322 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -9.132 -7.039 0.812 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.310 -11.391 -1.325 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -9.307 -9.103 2.127 1.00 0.00 H new ATOM 0 HH TYR A 65 -9.175 -11.301 2.140 1.00 0.00 H new ATOM 1014 N ILE A 66 -9.405 -3.969 -2.735 1.00 0.00 N ATOM 1015 CA ILE A 66 -9.130 -2.718 -3.432 1.00 0.00 C ATOM 1016 C ILE A 66 -7.907 -2.034 -2.827 1.00 0.00 C ATOM 1017 O ILE A 66 -7.878 -1.735 -1.631 1.00 0.00 O ATOM 1018 CB ILE A 66 -10.326 -1.746 -3.365 1.00 0.00 C ATOM 1019 CG1 ILE A 66 -11.576 -2.384 -3.977 1.00 0.00 C ATOM 1020 CG2 ILE A 66 -9.990 -0.444 -4.082 1.00 0.00 C ATOM 1021 CD1 ILE A 66 -12.825 -1.542 -3.823 1.00 0.00 C ATOM 0 H ILE A 66 -9.445 -3.882 -1.720 1.00 0.00 H new ATOM 0 HA ILE A 66 -8.945 -2.969 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 66 -10.532 -1.525 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -11.399 -2.565 -5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -11.743 -3.355 -3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -10.843 0.232 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.127 0.021 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.760 -0.653 -5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -13.670 -2.057 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.028 -1.382 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -12.678 -0.580 -4.314 1.00 0.00 H new ATOM 1033 N GLY A 67 -6.913 -1.782 -3.661 1.00 0.00 N ATOM 1034 CA GLY A 67 -5.688 -1.159 -3.208 1.00 0.00 C ATOM 1035 C GLY A 67 -5.702 0.344 -3.398 1.00 0.00 C ATOM 1036 O GLY A 67 -6.207 0.845 -4.401 1.00 0.00 O ATOM 0 H GLY A 67 -6.933 -2.001 -4.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.535 -1.388 -2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.844 -1.584 -3.752 1.00 0.00 H new ATOM 1040 N HIS A 68 -5.147 1.064 -2.435 1.00 0.00 N ATOM 1041 CA HIS A 68 -5.097 2.522 -2.485 1.00 0.00 C ATOM 1042 C HIS A 68 -3.657 2.985 -2.300 1.00 0.00 C ATOM 1043 O HIS A 68 -2.974 2.526 -1.386 1.00 0.00 O ATOM 1044 CB HIS A 68 -5.967 3.147 -1.384 1.00 0.00 C ATOM 1045 CG HIS A 68 -7.324 2.522 -1.224 1.00 0.00 C ATOM 1046 ND1 HIS A 68 -8.442 2.936 -1.919 1.00 0.00 N ATOM 1047 CD2 HIS A 68 -7.739 1.513 -0.419 1.00 0.00 C ATOM 1048 CE1 HIS A 68 -9.481 2.208 -1.548 1.00 0.00 C ATOM 1049 NE2 HIS A 68 -9.080 1.339 -0.640 1.00 0.00 N ATOM 0 H HIS A 68 -4.721 0.660 -1.601 1.00 0.00 H new ATOM 0 HA HIS A 68 -5.480 2.842 -3.454 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.435 3.075 -0.435 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.094 4.208 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.126 0.950 0.269 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.488 2.308 -1.925 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -9.672 0.649 -0.177 1.00 0.00 H new ATOM 1058 N ALA A 69 -3.195 3.880 -3.160 1.00 0.00 N ATOM 1059 CA ALA A 69 -1.828 4.382 -3.068 1.00 0.00 C ATOM 1060 C ALA A 69 -1.736 5.543 -2.094 1.00 0.00 C ATOM 1061 O ALA A 69 -2.630 6.383 -2.032 1.00 0.00 O ATOM 1062 CB ALA A 69 -1.315 4.819 -4.428 1.00 0.00 C ATOM 0 H ALA A 69 -3.741 4.273 -3.926 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.207 3.565 -2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.294 5.189 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.330 3.971 -5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.952 5.612 -4.820 1.00 0.00 H new ATOM 1068 N PHE A 70 -0.651 5.580 -1.339 1.00 0.00 N ATOM 1069 CA PHE A 70 -0.387 6.675 -0.420 1.00 0.00 C ATOM 1070 C PHE A 70 1.038 7.174 -0.583 1.00 0.00 C ATOM 1071 O PHE A 70 1.951 6.396 -0.875 1.00 0.00 O ATOM 1072 CB PHE A 70 -0.608 6.234 1.026 1.00 0.00 C ATOM 1073 CG PHE A 70 -2.051 6.061 1.387 1.00 0.00 C ATOM 1074 CD1 PHE A 70 -2.700 4.860 1.158 1.00 0.00 C ATOM 1075 CD2 PHE A 70 -2.757 7.102 1.957 1.00 0.00 C ATOM 1076 CE1 PHE A 70 -4.027 4.702 1.492 1.00 0.00 C ATOM 1077 CE2 PHE A 70 -4.084 6.950 2.294 1.00 0.00 C ATOM 1078 CZ PHE A 70 -4.720 5.749 2.061 1.00 0.00 C ATOM 0 H PHE A 70 0.068 4.857 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.080 7.483 -0.654 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.085 5.293 1.194 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.161 6.970 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.160 4.038 0.712 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.264 8.045 2.140 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.523 3.760 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.626 7.771 2.740 1.00 0.00 H new ATOM 0 HZ PHE A 70 -5.761 5.629 2.324 1.00 0.00 H new ATOM 1088 N LYS A 71 1.218 8.477 -0.428 1.00 0.00 N ATOM 1089 CA LYS A 71 2.551 9.060 -0.396 1.00 0.00 C ATOM 1090 C LYS A 71 3.098 8.996 1.021 1.00 0.00 C ATOM 1091 O LYS A 71 2.591 9.662 1.924 1.00 0.00 O ATOM 1092 CB LYS A 71 2.536 10.509 -0.893 1.00 0.00 C ATOM 1093 CG LYS A 71 3.211 10.722 -2.246 1.00 0.00 C ATOM 1094 CD LYS A 71 2.316 10.342 -3.422 1.00 0.00 C ATOM 1095 CE LYS A 71 2.121 8.838 -3.539 1.00 0.00 C ATOM 1096 NZ LYS A 71 1.259 8.475 -4.696 1.00 0.00 N ATOM 0 H LYS A 71 0.459 9.150 -0.323 1.00 0.00 H new ATOM 0 HA LYS A 71 3.195 8.487 -1.063 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.502 10.846 -0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.029 11.139 -0.152 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.502 11.768 -2.341 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.126 10.132 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.345 10.824 -3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.753 10.722 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.092 8.354 -3.645 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.674 8.458 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.743 7.598 -4.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.579 9.241 -4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.851 8.332 -5.539 1.00 0.00 H new ATOM 1110 N LYS A 72 4.114 8.178 1.209 1.00 0.00 N ATOM 1111 CA LYS A 72 4.699 7.971 2.522 1.00 0.00 C ATOM 1112 C LYS A 72 6.035 8.696 2.611 1.00 0.00 C ATOM 1113 O LYS A 72 6.431 9.386 1.671 1.00 0.00 O ATOM 1114 CB LYS A 72 4.890 6.473 2.777 1.00 0.00 C ATOM 1115 CG LYS A 72 3.613 5.657 2.628 1.00 0.00 C ATOM 1116 CD LYS A 72 2.694 5.782 3.839 1.00 0.00 C ATOM 1117 CE LYS A 72 3.343 5.208 5.087 1.00 0.00 C ATOM 1118 NZ LYS A 72 2.359 4.944 6.168 1.00 0.00 N ATOM 0 H LYS A 72 4.556 7.641 0.463 1.00 0.00 H new ATOM 0 HA LYS A 72 4.029 8.373 3.282 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.639 6.089 2.084 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.285 6.333 3.783 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.079 5.984 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.871 4.609 2.479 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.448 6.831 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.757 5.262 3.642 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.856 4.281 4.832 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.101 5.902 5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.858 4.850 7.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.684 5.733 6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.845 4.063 5.962 1.00 0.00 H new ATOM 1132 N ALA A 73 6.734 8.521 3.727 1.00 0.00 N ATOM 1133 CA ALA A 73 8.001 9.206 3.958 1.00 0.00 C ATOM 1134 C ALA A 73 9.065 8.777 2.954 1.00 0.00 C ATOM 1135 O ALA A 73 9.795 7.812 3.174 1.00 0.00 O ATOM 1136 CB ALA A 73 8.486 8.956 5.373 1.00 0.00 C ATOM 0 H ALA A 73 6.443 7.908 4.489 1.00 0.00 H new ATOM 0 HA ALA A 73 7.827 10.274 3.823 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.432 9.474 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.747 9.328 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.628 7.886 5.525 1.00 0.00 H new ATOM 1142 N GLY A 74 9.124 9.490 1.842 1.00 0.00 N ATOM 1143 CA GLY A 74 10.121 9.222 0.825 1.00 0.00 C ATOM 1144 C GLY A 74 9.820 7.978 0.011 1.00 0.00 C ATOM 1145 O GLY A 74 10.652 7.540 -0.783 1.00 0.00 O ATOM 0 H GLY A 74 8.491 10.259 1.622 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.188 10.080 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.096 9.111 1.300 1.00 0.00 H new ATOM 1149 N HIS A 75 8.633 7.407 0.193 1.00 0.00 N ATOM 1150 CA HIS A 75 8.278 6.165 -0.487 1.00 0.00 C ATOM 1151 C HIS A 75 6.790 6.100 -0.799 1.00 0.00 C ATOM 1152 O HIS A 75 6.007 6.923 -0.330 1.00 0.00 O ATOM 1153 CB HIS A 75 8.694 4.956 0.358 1.00 0.00 C ATOM 1154 CG HIS A 75 10.116 4.540 0.135 1.00 0.00 C ATOM 1155 ND1 HIS A 75 10.943 4.077 1.136 1.00 0.00 N ATOM 1156 CD2 HIS A 75 10.854 4.510 -0.998 1.00 0.00 C ATOM 1157 CE1 HIS A 75 12.127 3.785 0.628 1.00 0.00 C ATOM 1158 NE2 HIS A 75 12.096 4.039 -0.666 1.00 0.00 N ATOM 0 H HIS A 75 7.905 7.781 0.801 1.00 0.00 H new ATOM 0 HA HIS A 75 8.818 6.143 -1.434 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.553 5.192 1.413 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.037 4.117 0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 75 10.524 4.804 -1.984 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.975 3.404 1.178 1.00 0.00 H new ATOM 0 HE2 HIS A 75 12.872 3.906 -1.315 1.00 0.00 H new ATOM 1167 N PHE A 76 6.410 5.114 -1.599 1.00 0.00 N ATOM 1168 CA PHE A 76 5.024 4.937 -2.003 1.00 0.00 C ATOM 1169 C PHE A 76 4.503 3.614 -1.475 1.00 0.00 C ATOM 1170 O PHE A 76 5.127 2.588 -1.678 1.00 0.00 O ATOM 1171 CB PHE A 76 4.909 4.947 -3.530 1.00 0.00 C ATOM 1172 CG PHE A 76 5.472 6.178 -4.181 1.00 0.00 C ATOM 1173 CD1 PHE A 76 5.139 7.438 -3.718 1.00 0.00 C ATOM 1174 CD2 PHE A 76 6.325 6.071 -5.266 1.00 0.00 C ATOM 1175 CE1 PHE A 76 5.648 8.570 -4.322 1.00 0.00 C ATOM 1176 CE2 PHE A 76 6.837 7.200 -5.875 1.00 0.00 C ATOM 1177 CZ PHE A 76 6.499 8.450 -5.402 1.00 0.00 C ATOM 0 H PHE A 76 7.050 4.419 -1.984 1.00 0.00 H new ATOM 0 HA PHE A 76 4.435 5.758 -1.594 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.423 4.072 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.858 4.852 -3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.473 7.537 -2.874 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.593 5.094 -5.640 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.381 9.548 -3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.501 7.104 -6.721 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.899 9.334 -5.876 1.00 0.00 H new ATOM 1187 N ILE A 77 3.372 3.627 -0.798 1.00 0.00 N ATOM 1188 CA ILE A 77 2.813 2.391 -0.273 1.00 0.00 C ATOM 1189 C ILE A 77 1.355 2.247 -0.677 1.00 0.00 C ATOM 1190 O ILE A 77 0.586 3.205 -0.619 1.00 0.00 O ATOM 1191 CB ILE A 77 2.949 2.308 1.264 1.00 0.00 C ATOM 1192 CG1 ILE A 77 4.428 2.353 1.662 1.00 0.00 C ATOM 1193 CG2 ILE A 77 2.293 1.042 1.801 1.00 0.00 C ATOM 1194 CD1 ILE A 77 4.667 2.181 3.147 1.00 0.00 C ATOM 0 H ILE A 77 2.826 4.465 -0.599 1.00 0.00 H new ATOM 0 HA ILE A 77 3.384 1.569 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 77 2.437 3.165 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.963 1.570 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.852 3.305 1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.402 1.007 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.234 1.043 1.543 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.773 0.168 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.737 2.224 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.161 2.978 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.275 1.216 3.469 1.00 0.00 H new ATOM 1206 N VAL A 78 0.997 1.049 -1.114 1.00 0.00 N ATOM 1207 CA VAL A 78 -0.366 0.748 -1.522 1.00 0.00 C ATOM 1208 C VAL A 78 -1.050 -0.123 -0.476 1.00 0.00 C ATOM 1209 O VAL A 78 -0.642 -1.261 -0.239 1.00 0.00 O ATOM 1210 CB VAL A 78 -0.404 0.030 -2.888 1.00 0.00 C ATOM 1211 CG1 VAL A 78 -1.838 -0.258 -3.310 1.00 0.00 C ATOM 1212 CG2 VAL A 78 0.307 0.856 -3.948 1.00 0.00 C ATOM 0 H VAL A 78 1.640 0.262 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.896 1.696 -1.616 1.00 0.00 H new ATOM 0 HB VAL A 78 0.118 -0.921 -2.784 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.839 -0.764 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.315 -0.896 -2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.388 0.679 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.269 0.332 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.184 1.824 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.347 1.004 -3.657 1.00 0.00 H new ATOM 1222 N TYR A 79 -2.076 0.421 0.153 1.00 0.00 N ATOM 1223 CA TYR A 79 -2.818 -0.296 1.170 1.00 0.00 C ATOM 1224 C TYR A 79 -4.058 -0.949 0.566 1.00 0.00 C ATOM 1225 O TYR A 79 -4.926 -0.269 0.013 1.00 0.00 O ATOM 1226 CB TYR A 79 -3.208 0.656 2.302 1.00 0.00 C ATOM 1227 CG TYR A 79 -2.031 1.162 3.117 1.00 0.00 C ATOM 1228 CD1 TYR A 79 -1.279 2.251 2.691 1.00 0.00 C ATOM 1229 CD2 TYR A 79 -1.678 0.557 4.316 1.00 0.00 C ATOM 1230 CE1 TYR A 79 -0.211 2.718 3.434 1.00 0.00 C ATOM 1231 CE2 TYR A 79 -0.613 1.021 5.065 1.00 0.00 C ATOM 1232 CZ TYR A 79 0.117 2.101 4.620 1.00 0.00 C ATOM 1233 OH TYR A 79 1.177 2.570 5.367 1.00 0.00 O ATOM 0 H TYR A 79 -2.415 1.366 -0.026 1.00 0.00 H new ATOM 0 HA TYR A 79 -2.184 -1.083 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.737 1.510 1.879 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.905 0.147 2.967 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.534 2.741 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.246 -0.291 4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.364 3.563 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.354 0.538 5.996 1.00 0.00 H new ATOM 0 HH TYR A 79 1.274 2.025 6.175 1.00 0.00 H new ATOM 1243 N PHE A 80 -4.128 -2.268 0.666 1.00 0.00 N ATOM 1244 CA PHE A 80 -5.223 -3.035 0.105 1.00 0.00 C ATOM 1245 C PHE A 80 -6.300 -3.291 1.147 1.00 0.00 C ATOM 1246 O PHE A 80 -6.056 -3.943 2.160 1.00 0.00 O ATOM 1247 CB PHE A 80 -4.710 -4.368 -0.437 1.00 0.00 C ATOM 1248 CG PHE A 80 -3.841 -4.232 -1.654 1.00 0.00 C ATOM 1249 CD1 PHE A 80 -2.481 -4.005 -1.528 1.00 0.00 C ATOM 1250 CD2 PHE A 80 -4.388 -4.331 -2.922 1.00 0.00 C ATOM 1251 CE1 PHE A 80 -1.683 -3.879 -2.647 1.00 0.00 C ATOM 1252 CE2 PHE A 80 -3.595 -4.205 -4.044 1.00 0.00 C ATOM 1253 CZ PHE A 80 -2.241 -3.979 -3.907 1.00 0.00 C ATOM 0 H PHE A 80 -3.425 -2.835 1.140 1.00 0.00 H new ATOM 0 HA PHE A 80 -5.657 -2.454 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.146 -4.875 0.346 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.562 -5.003 -0.679 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.041 -3.926 -0.545 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -5.447 -4.509 -3.034 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -0.623 -3.702 -2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.034 -4.283 -5.028 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.618 -3.880 -4.784 1.00 0.00 H new ATOM 1263 N THR A 81 -7.487 -2.781 0.887 1.00 0.00 N ATOM 1264 CA THR A 81 -8.616 -2.971 1.780 1.00 0.00 C ATOM 1265 C THR A 81 -9.590 -3.987 1.184 1.00 0.00 C ATOM 1266 O THR A 81 -9.763 -4.032 -0.034 1.00 0.00 O ATOM 1267 CB THR A 81 -9.343 -1.636 2.032 1.00 0.00 C ATOM 1268 OG1 THR A 81 -9.788 -1.076 0.785 1.00 0.00 O ATOM 1269 CG2 THR A 81 -8.426 -0.645 2.732 1.00 0.00 C ATOM 0 H THR A 81 -7.697 -2.227 0.057 1.00 0.00 H new ATOM 0 HA THR A 81 -8.241 -3.347 2.732 1.00 0.00 H new ATOM 0 HB THR A 81 -10.202 -1.832 2.673 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.636 -0.605 0.922 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.961 0.290 2.899 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.108 -1.057 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 81 -7.551 -0.456 2.110 1.00 0.00 H new ATOM 1277 N PRO A 82 -10.238 -4.810 2.023 1.00 0.00 N ATOM 1278 CA PRO A 82 -11.166 -5.858 1.564 1.00 0.00 C ATOM 1279 C PRO A 82 -12.503 -5.293 1.099 1.00 0.00 C ATOM 1280 O PRO A 82 -13.556 -5.661 1.625 1.00 0.00 O ATOM 1281 CB PRO A 82 -11.353 -6.718 2.814 1.00 0.00 C ATOM 1282 CG PRO A 82 -11.153 -5.777 3.950 1.00 0.00 C ATOM 1283 CD PRO A 82 -10.118 -4.787 3.494 1.00 0.00 C ATOM 0 HA PRO A 82 -10.779 -6.401 0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.346 -7.167 2.841 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.632 -7.535 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -12.085 -5.275 4.209 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -10.819 -6.308 4.841 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -10.310 -3.792 3.896 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -9.118 -5.074 3.819 1.00 0.00 H new ATOM 1291 N LYS A 83 -12.450 -4.423 0.087 1.00 0.00 N ATOM 1292 CA LYS A 83 -13.630 -3.688 -0.373 1.00 0.00 C ATOM 1293 C LYS A 83 -14.386 -3.101 0.812 1.00 0.00 C ATOM 1294 O LYS A 83 -15.590 -3.308 0.968 1.00 0.00 O ATOM 1295 CB LYS A 83 -14.545 -4.582 -1.217 1.00 0.00 C ATOM 1296 CG LYS A 83 -14.109 -4.696 -2.667 1.00 0.00 C ATOM 1297 CD LYS A 83 -15.097 -5.507 -3.487 1.00 0.00 C ATOM 1298 CE LYS A 83 -14.911 -5.272 -4.980 1.00 0.00 C ATOM 1299 NZ LYS A 83 -15.194 -3.863 -5.363 1.00 0.00 N ATOM 0 H LYS A 83 -11.598 -4.210 -0.431 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.293 -2.868 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.575 -5.578 -0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.560 -4.187 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.010 -3.699 -3.097 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.125 -5.163 -2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.971 -6.567 -3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -16.114 -5.241 -3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.889 -5.526 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.570 -5.938 -5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.937 -3.844 -6.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.514 -3.333 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.329 -3.425 -5.740 1.00 0.00 H new ATOM 1313 N ASN A 84 -13.653 -2.373 1.645 1.00 0.00 N ATOM 1314 CA ASN A 84 -14.197 -1.794 2.865 1.00 0.00 C ATOM 1315 C ASN A 84 -15.274 -0.763 2.538 1.00 0.00 C ATOM 1316 O ASN A 84 -14.978 0.326 2.048 1.00 0.00 O ATOM 1317 CB ASN A 84 -13.072 -1.154 3.682 1.00 0.00 C ATOM 1318 CG ASN A 84 -13.549 -0.583 5.002 1.00 0.00 C ATOM 1319 OD1 ASN A 84 -13.959 0.571 5.077 1.00 0.00 O ATOM 1320 ND2 ASN A 84 -13.481 -1.380 6.055 1.00 0.00 N ATOM 0 H ASN A 84 -12.665 -2.168 1.493 1.00 0.00 H new ATOM 0 HA ASN A 84 -14.656 -2.587 3.456 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -12.300 -1.899 3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.610 -0.360 3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -13.775 -1.041 6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -13.134 -2.334 5.951 1.00 0.00 H new ATOM 1327 N LYS A 85 -16.522 -1.132 2.787 1.00 0.00 N ATOM 1328 CA LYS A 85 -17.658 -0.278 2.469 1.00 0.00 C ATOM 1329 C LYS A 85 -18.495 0.007 3.711 1.00 0.00 C ATOM 1330 O LYS A 85 -19.568 0.605 3.622 1.00 0.00 O ATOM 1331 CB LYS A 85 -18.527 -0.949 1.402 1.00 0.00 C ATOM 1332 CG LYS A 85 -19.032 -2.325 1.816 1.00 0.00 C ATOM 1333 CD LYS A 85 -19.934 -2.934 0.759 1.00 0.00 C ATOM 1334 CE LYS A 85 -20.414 -4.313 1.174 1.00 0.00 C ATOM 1335 NZ LYS A 85 -21.361 -4.893 0.188 1.00 0.00 N ATOM 0 H LYS A 85 -16.775 -2.024 3.212 1.00 0.00 H new ATOM 0 HA LYS A 85 -17.277 0.670 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -19.380 -0.307 1.182 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -17.952 -1.042 0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -18.183 -2.985 1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -19.577 -2.245 2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -20.792 -2.283 0.591 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.396 -3.003 -0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -19.557 -4.977 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -20.899 -4.250 2.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -21.664 -5.834 0.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -22.192 -4.274 0.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.891 -4.978 -0.736 1.00 0.00 H new ATOM 1349 N ASN A 86 -18.006 -0.419 4.866 1.00 0.00 N ATOM 1350 CA ASN A 86 -18.741 -0.241 6.109 1.00 0.00 C ATOM 1351 C ASN A 86 -18.187 0.941 6.893 1.00 0.00 C ATOM 1352 O ASN A 86 -16.978 1.167 6.919 1.00 0.00 O ATOM 1353 CB ASN A 86 -18.707 -1.516 6.968 1.00 0.00 C ATOM 1354 CG ASN A 86 -17.306 -1.925 7.393 1.00 0.00 C ATOM 1355 OD1 ASN A 86 -16.332 -1.716 6.669 1.00 0.00 O ATOM 1356 ND2 ASN A 86 -17.197 -2.528 8.567 1.00 0.00 N ATOM 0 H ASN A 86 -17.106 -0.889 4.968 1.00 0.00 H new ATOM 0 HA ASN A 86 -19.781 -0.037 5.853 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -19.317 -1.361 7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -19.161 -2.334 6.408 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.283 -2.837 8.899 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -18.027 -2.684 9.139 1.00 0.00 H new ATOM 1363 N ARG A 87 -19.091 1.694 7.517 1.00 0.00 N ATOM 1364 CA ARG A 87 -18.735 2.889 8.284 1.00 0.00 C ATOM 1365 C ARG A 87 -17.948 3.873 7.426 1.00 0.00 C ATOM 1366 O ARG A 87 -16.735 4.025 7.568 1.00 0.00 O ATOM 1367 CB ARG A 87 -17.948 2.525 9.547 1.00 0.00 C ATOM 1368 CG ARG A 87 -18.752 1.732 10.572 1.00 0.00 C ATOM 1369 CD ARG A 87 -19.840 2.573 11.236 1.00 0.00 C ATOM 1370 NE ARG A 87 -20.929 2.927 10.322 1.00 0.00 N ATOM 1371 CZ ARG A 87 -22.161 3.249 10.718 1.00 0.00 C ATOM 1372 NH1 ARG A 87 -22.462 3.271 12.012 1.00 0.00 N ATOM 1373 NH2 ARG A 87 -23.085 3.556 9.816 1.00 0.00 N ATOM 0 H ARG A 87 -20.091 1.494 7.506 1.00 0.00 H new ATOM 0 HA ARG A 87 -19.663 3.371 8.593 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -17.070 1.945 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -17.586 3.441 10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -19.209 0.871 10.084 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -18.079 1.344 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -20.249 2.024 12.084 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -19.395 3.486 11.632 1.00 0.00 H new ATOM 0 HE ARG A 87 -20.733 2.927 9.321 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -21.750 3.041 12.705 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -23.405 3.518 12.312 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -22.852 3.545 8.823 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -24.028 3.803 10.116 1.00 0.00 H new ATOM 1387 N GLU A 88 -18.657 4.527 6.527 1.00 0.00 N ATOM 1388 CA GLU A 88 -18.061 5.481 5.610 1.00 0.00 C ATOM 1389 C GLU A 88 -18.552 6.892 5.910 1.00 0.00 C ATOM 1390 O GLU A 88 -18.576 7.755 5.032 1.00 0.00 O ATOM 1391 CB GLU A 88 -18.379 5.093 4.160 1.00 0.00 C ATOM 1392 CG GLU A 88 -19.676 4.306 3.982 1.00 0.00 C ATOM 1393 CD GLU A 88 -20.901 5.035 4.499 1.00 0.00 C ATOM 1394 OE1 GLU A 88 -21.208 4.906 5.703 1.00 0.00 O ATOM 1395 OE2 GLU A 88 -21.565 5.731 3.704 1.00 0.00 O ATOM 0 H GLU A 88 -19.664 4.412 6.411 1.00 0.00 H new ATOM 0 HA GLU A 88 -16.979 5.463 5.744 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -18.435 6.001 3.559 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -17.553 4.500 3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -19.815 4.084 2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -19.586 3.351 4.499 1.00 0.00 H new ATOM 1402 N GLY A 89 -18.913 7.130 7.166 1.00 0.00 N ATOM 1403 CA GLY A 89 -19.399 8.436 7.574 1.00 0.00 C ATOM 1404 C GLY A 89 -18.272 9.422 7.819 1.00 0.00 C ATOM 1405 O GLY A 89 -18.269 10.140 8.820 1.00 0.00 O ATOM 0 H GLY A 89 -18.877 6.437 7.914 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -20.062 8.831 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -19.992 8.332 8.483 1.00 0.00 H new ATOM 1409 N VAL A 90 -17.316 9.451 6.905 1.00 0.00 N ATOM 1410 CA VAL A 90 -16.186 10.361 6.986 1.00 0.00 C ATOM 1411 C VAL A 90 -15.812 10.847 5.587 1.00 0.00 C ATOM 1412 O VAL A 90 -15.575 10.047 4.681 1.00 0.00 O ATOM 1413 CB VAL A 90 -14.965 9.696 7.675 1.00 0.00 C ATOM 1414 CG1 VAL A 90 -14.565 8.404 6.972 1.00 0.00 C ATOM 1415 CG2 VAL A 90 -13.788 10.659 7.741 1.00 0.00 C ATOM 0 H VAL A 90 -17.302 8.844 6.086 1.00 0.00 H new ATOM 0 HA VAL A 90 -16.480 11.214 7.597 1.00 0.00 H new ATOM 0 HB VAL A 90 -15.259 9.444 8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.707 7.964 7.480 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -15.399 7.703 6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.302 8.620 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.945 10.170 8.228 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -13.503 10.954 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -14.073 11.543 8.311 1.00 0.00 H new ATOM 1425 N VAL A 91 -15.790 12.157 5.405 1.00 0.00 N ATOM 1426 CA VAL A 91 -15.502 12.730 4.099 1.00 0.00 C ATOM 1427 C VAL A 91 -14.097 13.313 4.049 1.00 0.00 C ATOM 1428 O VAL A 91 -13.666 14.023 4.964 1.00 0.00 O ATOM 1429 CB VAL A 91 -16.527 13.817 3.695 1.00 0.00 C ATOM 1430 CG1 VAL A 91 -17.898 13.201 3.464 1.00 0.00 C ATOM 1431 CG2 VAL A 91 -16.609 14.915 4.744 1.00 0.00 C ATOM 0 H VAL A 91 -15.967 12.841 6.140 1.00 0.00 H new ATOM 0 HA VAL A 91 -15.577 11.911 3.384 1.00 0.00 H new ATOM 0 HB VAL A 91 -16.185 14.267 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -18.604 13.981 3.181 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -17.835 12.462 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -18.239 12.718 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -17.337 15.663 4.431 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -16.917 14.485 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.632 15.385 4.856 1.00 0.00 H new ATOM 1441 N PRO A 92 -13.347 12.976 2.997 1.00 0.00 N ATOM 1442 CA PRO A 92 -12.033 13.546 2.752 1.00 0.00 C ATOM 1443 C PRO A 92 -12.103 14.839 1.941 1.00 0.00 C ATOM 1444 O PRO A 92 -12.665 14.865 0.845 1.00 0.00 O ATOM 1445 CB PRO A 92 -11.338 12.445 1.959 1.00 0.00 C ATOM 1446 CG PRO A 92 -12.431 11.761 1.201 1.00 0.00 C ATOM 1447 CD PRO A 92 -13.711 11.977 1.974 1.00 0.00 C ATOM 0 HA PRO A 92 -11.518 13.825 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.589 12.858 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -10.822 11.749 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -12.516 12.170 0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -12.219 10.697 1.096 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -14.511 12.340 1.328 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.064 11.051 2.428 1.00 0.00 H new ATOM 1455 N PRO A 93 -11.552 15.935 2.484 1.00 0.00 N ATOM 1456 CA PRO A 93 -11.499 17.222 1.787 1.00 0.00 C ATOM 1457 C PRO A 93 -10.774 17.113 0.447 1.00 0.00 C ATOM 1458 O PRO A 93 -9.766 16.413 0.333 1.00 0.00 O ATOM 1459 CB PRO A 93 -10.718 18.121 2.751 1.00 0.00 C ATOM 1460 CG PRO A 93 -10.879 17.483 4.085 1.00 0.00 C ATOM 1461 CD PRO A 93 -10.952 16.008 3.824 1.00 0.00 C ATOM 0 HA PRO A 93 -12.492 17.603 1.548 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -9.667 18.185 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.111 19.138 2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.040 17.724 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.782 17.838 4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.966 15.545 3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.563 15.497 4.568 1.00 0.00 H new ATOM 1469 N VAL A 94 -11.282 17.823 -0.557 1.00 0.00 N ATOM 1470 CA VAL A 94 -10.751 17.741 -1.912 1.00 0.00 C ATOM 1471 C VAL A 94 -9.362 18.369 -2.023 1.00 0.00 C ATOM 1472 O VAL A 94 -8.691 18.236 -3.049 1.00 0.00 O ATOM 1473 CB VAL A 94 -11.698 18.421 -2.920 1.00 0.00 C ATOM 1474 CG1 VAL A 94 -13.053 17.730 -2.934 1.00 0.00 C ATOM 1475 CG2 VAL A 94 -11.852 19.901 -2.602 1.00 0.00 C ATOM 0 H VAL A 94 -12.067 18.466 -0.454 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.669 16.680 -2.149 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.259 18.331 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -13.707 18.225 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.926 16.686 -3.219 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.499 17.783 -1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.525 20.361 -3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.264 20.017 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -10.878 20.387 -2.652 1.00 0.00 H new ATOM 1485 N GLY A 95 -8.940 19.062 -0.976 1.00 0.00 N ATOM 1486 CA GLY A 95 -7.625 19.663 -0.973 1.00 0.00 C ATOM 1487 C GLY A 95 -7.691 21.171 -0.940 1.00 0.00 C ATOM 1488 O GLY A 95 -8.649 21.769 -1.428 1.00 0.00 O ATOM 0 H GLY A 95 -9.486 19.218 -0.129 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.065 19.306 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -7.079 19.344 -1.860 1.00 0.00 H new ATOM 1492 N ILE A 96 -6.667 21.789 -0.377 1.00 0.00 N ATOM 1493 CA ILE A 96 -6.622 23.238 -0.237 1.00 0.00 C ATOM 1494 C ILE A 96 -5.990 23.873 -1.482 1.00 0.00 C ATOM 1495 O ILE A 96 -5.311 24.894 -1.402 1.00 0.00 O ATOM 1496 CB ILE A 96 -5.821 23.644 1.027 1.00 0.00 C ATOM 1497 CG1 ILE A 96 -6.167 22.711 2.193 1.00 0.00 C ATOM 1498 CG2 ILE A 96 -6.125 25.087 1.411 1.00 0.00 C ATOM 1499 CD1 ILE A 96 -5.365 22.976 3.448 1.00 0.00 C ATOM 0 H ILE A 96 -5.848 21.307 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.644 23.601 -0.132 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.758 23.558 0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.228 22.811 2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.005 21.679 1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.554 25.355 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.849 25.748 0.590 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.190 25.192 1.618 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.667 22.276 4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.304 22.847 3.236 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.546 23.996 3.787 1.00 0.00 H new ATOM 1511 N THR A 97 -6.243 23.265 -2.636 1.00 0.00 N ATOM 1512 CA THR A 97 -5.707 23.754 -3.898 1.00 0.00 C ATOM 1513 C THR A 97 -6.365 25.074 -4.296 1.00 0.00 C ATOM 1514 O THR A 97 -7.474 25.093 -4.839 1.00 0.00 O ATOM 1515 CB THR A 97 -5.910 22.722 -5.025 1.00 0.00 C ATOM 1516 OG1 THR A 97 -5.432 21.436 -4.601 1.00 0.00 O ATOM 1517 CG2 THR A 97 -5.176 23.143 -6.291 1.00 0.00 C ATOM 0 H THR A 97 -6.820 22.428 -2.722 1.00 0.00 H new ATOM 0 HA THR A 97 -4.639 23.916 -3.755 1.00 0.00 H new ATOM 0 HB THR A 97 -6.976 22.665 -5.245 1.00 0.00 H new ATOM 0 HG1 THR A 97 -5.565 20.784 -5.320 1.00 0.00 H new ATOM 0 HG21 THR A 97 -5.336 22.397 -7.070 1.00 0.00 H new ATOM 0 HG22 THR A 97 -5.556 24.107 -6.628 1.00 0.00 H new ATOM 0 HG23 THR A 97 -4.109 23.226 -6.082 1.00 0.00 H new ATOM 1525 N ASN A 98 -5.686 26.170 -3.995 1.00 0.00 N ATOM 1526 CA ASN A 98 -6.167 27.498 -4.334 1.00 0.00 C ATOM 1527 C ASN A 98 -5.047 28.297 -4.973 1.00 0.00 C ATOM 1528 O ASN A 98 -4.190 28.817 -4.230 1.00 0.00 O ATOM 1529 CB ASN A 98 -6.684 28.234 -3.092 1.00 0.00 C ATOM 1530 CG ASN A 98 -7.952 27.628 -2.523 1.00 0.00 C ATOM 1531 OD1 ASN A 98 -9.060 27.996 -2.915 1.00 0.00 O ATOM 1532 ND2 ASN A 98 -7.802 26.700 -1.592 1.00 0.00 N ATOM 1533 OXT ASN A 98 -5.011 28.384 -6.217 1.00 0.00 O ATOM 0 H ASN A 98 -4.789 26.163 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.994 27.394 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -5.910 28.227 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -6.870 29.277 -3.347 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -8.622 26.262 -1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -6.867 26.423 -1.294 1.00 0.00 H new TER 1540 ASN A 98