USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 89 SER OG : rot 144:sc= -2.34 USER MOD Set 1.2: A 98 ASN : amide:sc= -0.42 K(o=-2.8,f=-6.4!) USER MOD Set 2.1: A 47 SER OG : rot 109:sc= -0.835! USER MOD Set 2.2: A 56 HIS : no HD1:sc= -0.144 K(o=-0.98,f=-13!) USER MOD Set 3.1: A 5 HIS : no HD1:sc= -5.36! C(o=-11!,f=-19!) USER MOD Set 3.2: A 86 GLN : amide:sc= -5.33! C(o=-11!,f=-17!) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 25:sc= -2.54! USER MOD Single : A 12 ASN : amide:sc= -0.0189 K(o=-0.019,f=-1.3!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -170:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.3!) USER MOD Single : A 19 ASN : amide:sc= -0.784 K(o=-0.78,f=-2.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.92! K(o=-1.9!,f=-0.087) USER MOD Single : A 28 LYS NZ :NH3+ 153:sc= -0.128 (180deg=-0.628) USER MOD Single : A 32 THR OG1 : rot -103:sc= 0.253! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -1.85 USER MOD Single : A 55 LYS NZ :NH3+ -141:sc= -0.559 (180deg=-2.44!) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.328 X(o=-0.33,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -2.36! C(o=-2.4!,f=-4.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 HIS : no HE2:sc= 1.1 K(o=1.1,f=-3.6!) USER MOD Single : A 88 THR OG1 : rot 83:sc= 0.213 USER MOD Single : A 92 GLN : amide:sc= -0.0129 K(o=-0.013,f=-1.8!) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 94 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.043) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N LEU A 3 92.224 -1.505 -15.233 1.00 0.00 N ATOM 31 CA LEU A 3 92.247 -1.479 -13.735 1.00 0.00 C ATOM 32 C LEU A 3 90.895 -1.948 -13.191 1.00 0.00 C ATOM 33 O LEU A 3 89.859 -1.660 -13.754 1.00 0.00 O ATOM 34 CB LEU A 3 92.510 -0.047 -13.257 1.00 0.00 C ATOM 35 CG LEU A 3 93.910 0.382 -13.695 1.00 0.00 C ATOM 36 CD1 LEU A 3 93.832 1.049 -15.072 1.00 0.00 C ATOM 37 CD2 LEU A 3 94.499 1.359 -12.668 1.00 0.00 C ATOM 0 HA LEU A 3 93.035 -2.141 -13.375 1.00 0.00 H new ATOM 0 HB2 LEU A 3 91.763 0.630 -13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 3 92.423 0.008 -12.172 1.00 0.00 H new ATOM 0 HG LEU A 3 94.556 -0.494 -13.758 1.00 0.00 H new ATOM 0 HD11 LEU A 3 94.830 1.355 -15.385 1.00 0.00 H new ATOM 0 HD12 LEU A 3 93.425 0.343 -15.796 1.00 0.00 H new ATOM 0 HD13 LEU A 3 93.185 1.924 -15.016 1.00 0.00 H new ATOM 0 HD21 LEU A 3 95.497 1.662 -12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 3 93.859 2.238 -12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 3 94.559 0.871 -11.695 1.00 0.00 H new ATOM 49 N PRO A 4 90.901 -2.668 -12.098 1.00 0.00 N ATOM 50 CA PRO A 4 89.646 -3.182 -11.477 1.00 0.00 C ATOM 51 C PRO A 4 88.781 -2.051 -10.911 1.00 0.00 C ATOM 52 O PRO A 4 87.704 -2.278 -10.393 1.00 0.00 O ATOM 53 CB PRO A 4 90.129 -4.103 -10.356 1.00 0.00 C ATOM 54 CG PRO A 4 91.524 -3.656 -10.042 1.00 0.00 C ATOM 55 CD PRO A 4 92.096 -3.063 -11.333 1.00 0.00 C ATOM 0 HA PRO A 4 89.016 -3.692 -12.206 1.00 0.00 H new ATOM 0 HB2 PRO A 4 89.486 -4.025 -9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 4 90.113 -5.146 -10.671 1.00 0.00 H new ATOM 0 HG2 PRO A 4 91.522 -2.915 -9.243 1.00 0.00 H new ATOM 0 HG3 PRO A 4 92.131 -4.494 -9.699 1.00 0.00 H new ATOM 0 HD2 PRO A 4 92.741 -2.208 -11.129 1.00 0.00 H new ATOM 0 HD3 PRO A 4 92.696 -3.793 -11.877 1.00 0.00 H new ATOM 63 N HIS A 5 89.237 -0.834 -11.011 1.00 0.00 N ATOM 64 CA HIS A 5 88.428 0.304 -10.483 1.00 0.00 C ATOM 65 C HIS A 5 87.201 0.482 -11.371 1.00 0.00 C ATOM 66 O HIS A 5 86.140 0.865 -10.918 1.00 0.00 O ATOM 67 CB HIS A 5 89.259 1.589 -10.490 1.00 0.00 C ATOM 68 CG HIS A 5 90.385 1.455 -9.503 1.00 0.00 C ATOM 69 ND1 HIS A 5 90.165 1.211 -8.156 1.00 0.00 N ATOM 70 CD2 HIS A 5 91.748 1.505 -9.658 1.00 0.00 C ATOM 71 CE1 HIS A 5 91.368 1.122 -7.559 1.00 0.00 C ATOM 72 NE2 HIS A 5 92.366 1.292 -8.429 1.00 0.00 N ATOM 0 H HIS A 5 90.129 -0.577 -11.433 1.00 0.00 H new ATOM 0 HA HIS A 5 88.122 0.093 -9.458 1.00 0.00 H new ATOM 0 HB2 HIS A 5 89.655 1.775 -11.488 1.00 0.00 H new ATOM 0 HB3 HIS A 5 88.633 2.443 -10.232 1.00 0.00 H new ATOM 0 HD2 HIS A 5 92.262 1.682 -10.591 1.00 0.00 H new ATOM 0 HE1 HIS A 5 91.509 0.936 -6.505 1.00 0.00 H new ATOM 0 HE2 HIS A 5 93.367 1.270 -8.235 1.00 0.00 H new ATOM 80 N HIS A 6 87.334 0.196 -12.632 1.00 0.00 N ATOM 81 CA HIS A 6 86.170 0.333 -13.547 1.00 0.00 C ATOM 82 C HIS A 6 85.058 -0.607 -13.075 1.00 0.00 C ATOM 83 O HIS A 6 83.884 -0.326 -13.227 1.00 0.00 O ATOM 84 CB HIS A 6 86.590 -0.053 -14.965 1.00 0.00 C ATOM 85 CG HIS A 6 87.526 0.987 -15.509 1.00 0.00 C ATOM 86 ND1 HIS A 6 87.130 2.298 -15.714 1.00 0.00 N ATOM 87 CD2 HIS A 6 88.843 0.928 -15.889 1.00 0.00 C ATOM 88 CE1 HIS A 6 88.190 2.973 -16.192 1.00 0.00 C ATOM 89 NE2 HIS A 6 89.261 2.184 -16.319 1.00 0.00 N ATOM 0 H HIS A 6 88.197 -0.127 -13.070 1.00 0.00 H new ATOM 0 HA HIS A 6 85.814 1.363 -13.543 1.00 0.00 H new ATOM 0 HB2 HIS A 6 87.077 -1.028 -14.959 1.00 0.00 H new ATOM 0 HB3 HIS A 6 85.712 -0.139 -15.605 1.00 0.00 H new ATOM 0 HD2 HIS A 6 89.461 0.043 -15.859 1.00 0.00 H new ATOM 0 HE1 HIS A 6 88.177 4.023 -16.442 1.00 0.00 H new ATOM 0 HE2 HIS A 6 90.187 2.446 -16.658 1.00 0.00 H new ATOM 97 N ASP A 7 85.430 -1.733 -12.516 1.00 0.00 N ATOM 98 CA ASP A 7 84.415 -2.716 -12.043 1.00 0.00 C ATOM 99 C ASP A 7 84.078 -2.483 -10.564 1.00 0.00 C ATOM 100 O ASP A 7 84.946 -2.408 -9.715 1.00 0.00 O ATOM 101 CB ASP A 7 84.979 -4.125 -12.198 1.00 0.00 C ATOM 102 CG ASP A 7 85.281 -4.396 -13.670 1.00 0.00 C ATOM 103 OD1 ASP A 7 84.799 -3.647 -14.503 1.00 0.00 O ATOM 104 OD2 ASP A 7 85.998 -5.345 -13.939 1.00 0.00 O ATOM 0 H ASP A 7 86.400 -2.012 -12.368 1.00 0.00 H new ATOM 0 HA ASP A 7 83.509 -2.594 -12.637 1.00 0.00 H new ATOM 0 HB2 ASP A 7 85.887 -4.232 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 7 84.264 -4.857 -11.822 1.00 0.00 H new ATOM 109 N GLU A 8 82.815 -2.389 -10.252 1.00 0.00 N ATOM 110 CA GLU A 8 82.399 -2.173 -8.842 1.00 0.00 C ATOM 111 C GLU A 8 82.485 -3.480 -8.046 1.00 0.00 C ATOM 112 O GLU A 8 82.599 -3.474 -6.839 1.00 0.00 O ATOM 113 CB GLU A 8 80.966 -1.649 -8.826 1.00 0.00 C ATOM 114 CG GLU A 8 80.526 -1.486 -7.383 1.00 0.00 C ATOM 115 CD GLU A 8 79.228 -0.681 -7.323 1.00 0.00 C ATOM 116 OE1 GLU A 8 78.807 -0.197 -8.360 1.00 0.00 O ATOM 117 OE2 GLU A 8 78.676 -0.567 -6.241 1.00 0.00 O ATOM 0 H GLU A 8 82.048 -2.453 -10.921 1.00 0.00 H new ATOM 0 HA GLU A 8 83.067 -1.448 -8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 8 80.906 -0.695 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 8 80.304 -2.341 -9.347 1.00 0.00 H new ATOM 0 HG2 GLU A 8 80.379 -2.464 -6.926 1.00 0.00 H new ATOM 0 HG3 GLU A 8 81.304 -0.981 -6.811 1.00 0.00 H new ATOM 124 N LYS A 9 82.424 -4.594 -8.710 1.00 0.00 N ATOM 125 CA LYS A 9 82.490 -5.906 -7.998 1.00 0.00 C ATOM 126 C LYS A 9 83.896 -6.172 -7.434 1.00 0.00 C ATOM 127 O LYS A 9 84.074 -7.015 -6.576 1.00 0.00 O ATOM 128 CB LYS A 9 82.134 -6.999 -8.999 1.00 0.00 C ATOM 129 CG LYS A 9 83.065 -6.869 -10.208 1.00 0.00 C ATOM 130 CD LYS A 9 83.794 -8.184 -10.476 1.00 0.00 C ATOM 131 CE LYS A 9 85.074 -7.888 -11.255 1.00 0.00 C ATOM 132 NZ LYS A 9 85.212 -8.867 -12.371 1.00 0.00 N ATOM 0 H LYS A 9 82.330 -4.659 -9.724 1.00 0.00 H new ATOM 0 HA LYS A 9 81.794 -5.893 -7.159 1.00 0.00 H new ATOM 0 HB2 LYS A 9 82.242 -7.982 -8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 9 81.093 -6.905 -9.310 1.00 0.00 H new ATOM 0 HG2 LYS A 9 82.488 -6.582 -11.087 1.00 0.00 H new ATOM 0 HG3 LYS A 9 83.791 -6.076 -10.030 1.00 0.00 H new ATOM 0 HD2 LYS A 9 84.031 -8.682 -9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 9 83.155 -8.861 -11.043 1.00 0.00 H new ATOM 0 HE2 LYS A 9 85.046 -6.872 -11.649 1.00 0.00 H new ATOM 0 HE3 LYS A 9 85.938 -7.950 -10.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 86.083 -8.667 -12.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 85.257 -9.831 -11.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 84.393 -8.787 -13.006 1.00 0.00 H new ATOM 146 N THR A 10 84.896 -5.482 -7.908 1.00 0.00 N ATOM 147 CA THR A 10 86.275 -5.730 -7.389 1.00 0.00 C ATOM 148 C THR A 10 86.450 -5.158 -5.967 1.00 0.00 C ATOM 149 O THR A 10 87.252 -5.647 -5.190 1.00 0.00 O ATOM 150 CB THR A 10 87.287 -5.122 -8.365 1.00 0.00 C ATOM 151 OG1 THR A 10 86.995 -3.747 -8.558 1.00 0.00 O ATOM 152 CG2 THR A 10 87.203 -5.860 -9.702 1.00 0.00 C ATOM 0 H THR A 10 84.822 -4.762 -8.627 1.00 0.00 H new ATOM 0 HA THR A 10 86.446 -6.804 -7.317 1.00 0.00 H new ATOM 0 HB THR A 10 88.293 -5.220 -7.958 1.00 0.00 H new ATOM 0 HG1 THR A 10 86.508 -3.404 -7.780 1.00 0.00 H new ATOM 0 HG21 THR A 10 87.922 -5.431 -10.400 1.00 0.00 H new ATOM 0 HG22 THR A 10 87.430 -6.915 -9.550 1.00 0.00 H new ATOM 0 HG23 THR A 10 86.197 -5.761 -10.110 1.00 0.00 H new ATOM 160 N TRP A 11 85.707 -4.147 -5.604 1.00 0.00 N ATOM 161 CA TRP A 11 85.843 -3.589 -4.226 1.00 0.00 C ATOM 162 C TRP A 11 84.486 -3.615 -3.521 1.00 0.00 C ATOM 163 O TRP A 11 84.407 -3.581 -2.316 1.00 0.00 O ATOM 164 CB TRP A 11 86.345 -2.143 -4.297 1.00 0.00 C ATOM 165 CG TRP A 11 86.104 -1.602 -5.673 1.00 0.00 C ATOM 166 CD1 TRP A 11 86.791 -1.971 -6.775 1.00 0.00 C ATOM 167 CD2 TRP A 11 85.134 -0.607 -6.117 1.00 0.00 C ATOM 168 NE1 TRP A 11 86.291 -1.296 -7.871 1.00 0.00 N ATOM 169 CE2 TRP A 11 85.275 -0.432 -7.516 1.00 0.00 C ATOM 170 CE3 TRP A 11 84.151 0.149 -5.452 1.00 0.00 C ATOM 171 CZ2 TRP A 11 84.475 0.462 -8.230 1.00 0.00 C ATOM 172 CZ3 TRP A 11 83.345 1.049 -6.166 1.00 0.00 C ATOM 173 CH2 TRP A 11 83.506 1.205 -7.553 1.00 0.00 C ATOM 0 H TRP A 11 85.017 -3.686 -6.196 1.00 0.00 H new ATOM 0 HA TRP A 11 86.557 -4.195 -3.668 1.00 0.00 H new ATOM 0 HB2 TRP A 11 85.829 -1.530 -3.557 1.00 0.00 H new ATOM 0 HB3 TRP A 11 87.408 -2.103 -4.059 1.00 0.00 H new ATOM 0 HD1 TRP A 11 87.604 -2.682 -6.796 1.00 0.00 H new ATOM 0 HE1 TRP A 11 86.630 -1.421 -8.825 1.00 0.00 H new ATOM 0 HE3 TRP A 11 84.016 0.036 -4.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 84.604 0.578 -9.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 82.595 1.626 -5.645 1.00 0.00 H new ATOM 0 HH2 TRP A 11 82.881 1.899 -8.095 1.00 0.00 H new ATOM 184 N ASN A 12 83.419 -3.663 -4.267 1.00 0.00 N ATOM 185 CA ASN A 12 82.067 -3.671 -3.637 1.00 0.00 C ATOM 186 C ASN A 12 81.672 -5.081 -3.217 1.00 0.00 C ATOM 187 O ASN A 12 81.587 -5.987 -4.023 1.00 0.00 O ATOM 188 CB ASN A 12 81.047 -3.155 -4.644 1.00 0.00 C ATOM 189 CG ASN A 12 79.698 -2.960 -3.957 1.00 0.00 C ATOM 190 OD1 ASN A 12 79.638 -2.729 -2.767 1.00 0.00 O ATOM 191 ND2 ASN A 12 78.602 -3.049 -4.659 1.00 0.00 N ATOM 0 H ASN A 12 83.423 -3.697 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 12 82.092 -3.034 -2.753 1.00 0.00 H new ATOM 0 HB2 ASN A 12 81.388 -2.212 -5.071 1.00 0.00 H new ATOM 0 HB3 ASN A 12 80.947 -3.860 -5.469 1.00 0.00 H new ATOM 0 HD21 ASN A 12 77.696 -2.924 -4.208 1.00 0.00 H new ATOM 0 HD22 ASN A 12 78.651 -3.243 -5.659 1.00 0.00 H new ATOM 198 N VAL A 13 81.408 -5.261 -1.957 1.00 0.00 N ATOM 199 CA VAL A 13 80.987 -6.597 -1.461 1.00 0.00 C ATOM 200 C VAL A 13 79.788 -6.420 -0.522 1.00 0.00 C ATOM 201 O VAL A 13 79.623 -7.144 0.439 1.00 0.00 O ATOM 202 CB VAL A 13 82.139 -7.251 -0.709 1.00 0.00 C ATOM 203 CG1 VAL A 13 81.932 -8.771 -0.698 1.00 0.00 C ATOM 204 CG2 VAL A 13 83.461 -6.908 -1.404 1.00 0.00 C ATOM 0 H VAL A 13 81.466 -4.535 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 13 80.707 -7.233 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 13 82.170 -6.883 0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 13 82.753 -9.246 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 13 80.990 -9.006 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 13 81.905 -9.142 -1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 13 84.286 -7.375 -0.867 1.00 0.00 H new ATOM 0 HG22 VAL A 13 83.440 -7.278 -2.429 1.00 0.00 H new ATOM 0 HG23 VAL A 13 83.599 -5.827 -1.411 1.00 0.00 H new ATOM 214 N GLY A 14 78.957 -5.451 -0.792 1.00 0.00 N ATOM 215 CA GLY A 14 77.767 -5.204 0.082 1.00 0.00 C ATOM 216 C GLY A 14 77.263 -6.515 0.706 1.00 0.00 C ATOM 217 O GLY A 14 76.743 -6.522 1.805 1.00 0.00 O ATOM 0 H GLY A 14 79.049 -4.815 -1.584 1.00 0.00 H new ATOM 0 HA2 GLY A 14 78.030 -4.499 0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 14 76.970 -4.745 -0.503 1.00 0.00 H new ATOM 221 N SER A 15 77.404 -7.622 0.025 1.00 0.00 N ATOM 222 CA SER A 15 76.924 -8.919 0.598 1.00 0.00 C ATOM 223 C SER A 15 77.807 -9.327 1.779 1.00 0.00 C ATOM 224 O SER A 15 77.414 -10.112 2.620 1.00 0.00 O ATOM 225 CB SER A 15 76.983 -10.007 -0.472 1.00 0.00 C ATOM 226 OG SER A 15 78.337 -10.240 -0.828 1.00 0.00 O ATOM 0 H SER A 15 77.829 -7.687 -0.900 1.00 0.00 H new ATOM 0 HA SER A 15 75.896 -8.795 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 15 76.530 -10.925 -0.099 1.00 0.00 H new ATOM 0 HB3 SER A 15 76.411 -9.703 -1.349 1.00 0.00 H new ATOM 0 HG SER A 15 78.379 -10.939 -1.513 1.00 0.00 H new ATOM 232 N SER A 16 79.000 -8.808 1.849 1.00 0.00 N ATOM 233 CA SER A 16 79.910 -9.174 2.973 1.00 0.00 C ATOM 234 C SER A 16 79.353 -8.645 4.302 1.00 0.00 C ATOM 235 O SER A 16 78.701 -7.620 4.348 1.00 0.00 O ATOM 236 CB SER A 16 81.281 -8.548 2.731 1.00 0.00 C ATOM 237 OG SER A 16 82.128 -8.853 3.832 1.00 0.00 O ATOM 0 H SER A 16 79.386 -8.145 1.177 1.00 0.00 H new ATOM 0 HA SER A 16 79.991 -10.260 3.023 1.00 0.00 H new ATOM 0 HB2 SER A 16 81.712 -8.931 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 16 81.187 -7.468 2.615 1.00 0.00 H new ATOM 0 HG SER A 16 82.954 -8.329 3.765 1.00 0.00 H new ATOM 243 N ASN A 17 79.617 -9.327 5.388 1.00 0.00 N ATOM 244 CA ASN A 17 79.115 -8.858 6.718 1.00 0.00 C ATOM 245 C ASN A 17 80.301 -8.472 7.610 1.00 0.00 C ATOM 246 O ASN A 17 81.439 -8.774 7.306 1.00 0.00 O ATOM 247 CB ASN A 17 78.319 -9.971 7.405 1.00 0.00 C ATOM 248 CG ASN A 17 77.042 -10.264 6.614 1.00 0.00 C ATOM 249 OD1 ASN A 17 76.526 -9.405 5.926 1.00 0.00 O ATOM 250 ND2 ASN A 17 76.506 -11.451 6.689 1.00 0.00 N ATOM 0 H ASN A 17 80.160 -10.190 5.412 1.00 0.00 H new ATOM 0 HA ASN A 17 78.469 -7.994 6.562 1.00 0.00 H new ATOM 0 HB2 ASN A 17 78.927 -10.873 7.478 1.00 0.00 H new ATOM 0 HB3 ASN A 17 78.066 -9.674 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 17 75.653 -11.659 6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 17 76.940 -12.171 7.267 1.00 0.00 H new ATOM 257 N ARG A 18 80.044 -7.809 8.712 1.00 0.00 N ATOM 258 CA ARG A 18 81.163 -7.410 9.621 1.00 0.00 C ATOM 259 C ARG A 18 81.944 -8.659 10.039 1.00 0.00 C ATOM 260 O ARG A 18 83.158 -8.660 10.052 1.00 0.00 O ATOM 261 CB ARG A 18 80.618 -6.723 10.880 1.00 0.00 C ATOM 262 CG ARG A 18 80.176 -5.294 10.557 1.00 0.00 C ATOM 263 CD ARG A 18 79.737 -4.599 11.852 1.00 0.00 C ATOM 264 NE ARG A 18 80.886 -3.846 12.443 1.00 0.00 N ATOM 265 CZ ARG A 18 80.667 -2.937 13.354 1.00 0.00 C ATOM 266 NH1 ARG A 18 79.449 -2.698 13.741 1.00 0.00 N ATOM 267 NH2 ARG A 18 81.662 -2.273 13.879 1.00 0.00 N ATOM 0 H ARG A 18 79.113 -7.528 9.020 1.00 0.00 H new ATOM 0 HA ARG A 18 81.813 -6.715 9.089 1.00 0.00 H new ATOM 0 HB2 ARG A 18 79.776 -7.290 11.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 81.385 -6.707 11.655 1.00 0.00 H new ATOM 0 HG2 ARG A 18 80.994 -4.743 10.094 1.00 0.00 H new ATOM 0 HG3 ARG A 18 79.355 -5.307 9.840 1.00 0.00 H new ATOM 0 HD2 ARG A 18 78.912 -3.917 11.647 1.00 0.00 H new ATOM 0 HD3 ARG A 18 79.370 -5.338 12.565 1.00 0.00 H new ATOM 0 HE ARG A 18 81.838 -4.042 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 18 78.673 -3.219 13.333 1.00 0.00 H new ATOM 0 HH12 ARG A 18 79.270 -1.989 14.452 1.00 0.00 H new ATOM 0 HH21 ARG A 18 82.618 -2.463 13.578 1.00 0.00 H new ATOM 0 HH22 ARG A 18 81.483 -1.564 14.590 1.00 0.00 H new ATOM 281 N ASN A 19 81.261 -9.726 10.377 1.00 0.00 N ATOM 282 CA ASN A 19 81.980 -10.967 10.777 1.00 0.00 C ATOM 283 C ASN A 19 82.741 -11.504 9.567 1.00 0.00 C ATOM 284 O ASN A 19 83.906 -11.847 9.651 1.00 0.00 O ATOM 285 CB ASN A 19 80.976 -12.018 11.241 1.00 0.00 C ATOM 286 CG ASN A 19 81.735 -13.207 11.823 1.00 0.00 C ATOM 287 OD1 ASN A 19 82.905 -13.388 11.548 1.00 0.00 O ATOM 288 ND2 ASN A 19 81.120 -14.028 12.628 1.00 0.00 N ATOM 0 H ASN A 19 80.243 -9.787 10.392 1.00 0.00 H new ATOM 0 HA ASN A 19 82.671 -10.744 11.590 1.00 0.00 H new ATOM 0 HB2 ASN A 19 80.307 -11.595 11.991 1.00 0.00 H new ATOM 0 HB3 ASN A 19 80.355 -12.340 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 19 81.621 -14.822 13.027 1.00 0.00 H new ATOM 0 HD22 ASN A 19 80.138 -13.876 12.859 1.00 0.00 H new ATOM 295 N LYS A 20 82.093 -11.566 8.433 1.00 0.00 N ATOM 296 CA LYS A 20 82.783 -12.063 7.214 1.00 0.00 C ATOM 297 C LYS A 20 83.900 -11.087 6.854 1.00 0.00 C ATOM 298 O LYS A 20 84.958 -11.476 6.406 1.00 0.00 O ATOM 299 CB LYS A 20 81.800 -12.158 6.047 1.00 0.00 C ATOM 300 CG LYS A 20 82.472 -12.888 4.875 1.00 0.00 C ATOM 301 CD LYS A 20 81.458 -13.076 3.741 1.00 0.00 C ATOM 302 CE LYS A 20 82.112 -13.823 2.575 1.00 0.00 C ATOM 303 NZ LYS A 20 81.195 -13.803 1.404 1.00 0.00 N ATOM 0 H LYS A 20 81.119 -11.294 8.302 1.00 0.00 H new ATOM 0 HA LYS A 20 83.191 -13.055 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 20 80.902 -12.692 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 20 81.487 -11.161 5.738 1.00 0.00 H new ATOM 0 HG2 LYS A 20 83.329 -12.316 4.520 1.00 0.00 H new ATOM 0 HG3 LYS A 20 82.849 -13.856 5.204 1.00 0.00 H new ATOM 0 HD2 LYS A 20 80.594 -13.634 4.103 1.00 0.00 H new ATOM 0 HD3 LYS A 20 81.093 -12.106 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 20 83.062 -13.356 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 20 82.330 -14.851 2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 81.635 -14.309 0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 80.299 -14.267 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 81.008 -12.818 1.126 1.00 0.00 H new ATOM 317 N ALA A 21 83.673 -9.814 7.054 1.00 0.00 N ATOM 318 CA ALA A 21 84.727 -8.813 6.726 1.00 0.00 C ATOM 319 C ALA A 21 85.993 -9.156 7.505 1.00 0.00 C ATOM 320 O ALA A 21 87.094 -9.030 7.007 1.00 0.00 O ATOM 321 CB ALA A 21 84.257 -7.409 7.118 1.00 0.00 C ATOM 0 H ALA A 21 82.807 -9.428 7.429 1.00 0.00 H new ATOM 0 HA ALA A 21 84.927 -8.835 5.655 1.00 0.00 H new ATOM 0 HB1 ALA A 21 85.034 -6.684 6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 83.347 -7.164 6.570 1.00 0.00 H new ATOM 0 HB3 ALA A 21 84.055 -7.379 8.189 1.00 0.00 H new ATOM 327 N GLU A 22 85.851 -9.603 8.722 1.00 0.00 N ATOM 328 CA GLU A 22 87.056 -9.962 9.512 1.00 0.00 C ATOM 329 C GLU A 22 87.811 -11.045 8.755 1.00 0.00 C ATOM 330 O GLU A 22 89.011 -10.988 8.610 1.00 0.00 O ATOM 331 CB GLU A 22 86.644 -10.494 10.886 1.00 0.00 C ATOM 332 CG GLU A 22 86.103 -9.349 11.739 1.00 0.00 C ATOM 333 CD GLU A 22 85.647 -9.899 13.087 1.00 0.00 C ATOM 334 OE1 GLU A 22 85.739 -11.101 13.274 1.00 0.00 O ATOM 335 OE2 GLU A 22 85.211 -9.111 13.911 1.00 0.00 O ATOM 0 H GLU A 22 84.959 -9.734 9.199 1.00 0.00 H new ATOM 0 HA GLU A 22 87.685 -9.083 9.653 1.00 0.00 H new ATOM 0 HB2 GLU A 22 85.884 -11.268 10.774 1.00 0.00 H new ATOM 0 HB3 GLU A 22 87.499 -10.956 11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 22 86.874 -8.592 11.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.270 -8.863 11.231 1.00 0.00 H new ATOM 342 N ASN A 23 87.110 -12.019 8.246 1.00 0.00 N ATOM 343 CA ASN A 23 87.784 -13.089 7.475 1.00 0.00 C ATOM 344 C ASN A 23 88.416 -12.475 6.215 1.00 0.00 C ATOM 345 O ASN A 23 89.544 -12.773 5.872 1.00 0.00 O ATOM 346 CB ASN A 23 86.750 -14.139 7.064 1.00 0.00 C ATOM 347 CG ASN A 23 86.373 -15.007 8.267 1.00 0.00 C ATOM 348 OD1 ASN A 23 85.410 -15.748 8.215 1.00 0.00 O ATOM 349 ND2 ASN A 23 87.101 -14.966 9.348 1.00 0.00 N ATOM 0 H ASN A 23 86.098 -12.117 8.333 1.00 0.00 H new ATOM 0 HA ASN A 23 88.557 -13.557 8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 85.861 -13.649 6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 23 87.152 -14.764 6.267 1.00 0.00 H new ATOM 0 HD21 ASN A 23 86.862 -15.554 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 23 87.909 -14.346 9.395 1.00 0.00 H new ATOM 356 N LEU A 24 87.698 -11.614 5.529 1.00 0.00 N ATOM 357 CA LEU A 24 88.258 -10.978 4.296 1.00 0.00 C ATOM 358 C LEU A 24 89.341 -9.984 4.703 1.00 0.00 C ATOM 359 O LEU A 24 90.254 -9.702 3.955 1.00 0.00 O ATOM 360 CB LEU A 24 87.138 -10.255 3.527 1.00 0.00 C ATOM 361 CG LEU A 24 86.105 -11.282 3.039 1.00 0.00 C ATOM 362 CD1 LEU A 24 84.913 -10.572 2.378 1.00 0.00 C ATOM 363 CD2 LEU A 24 86.763 -12.228 2.029 1.00 0.00 C ATOM 0 H LEU A 24 86.750 -11.326 5.771 1.00 0.00 H new ATOM 0 HA LEU A 24 88.688 -11.742 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 24 86.658 -9.518 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 24 87.556 -9.713 2.679 1.00 0.00 H new ATOM 0 HG LEU A 24 85.743 -11.851 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 24 84.191 -11.314 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 24 84.439 -9.908 3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 24 85.263 -9.990 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 24 86.030 -12.957 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 24 87.133 -11.653 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 24 87.594 -12.748 2.505 1.00 0.00 H new ATOM 375 N LEU A 25 89.254 -9.461 5.893 1.00 0.00 N ATOM 376 CA LEU A 25 90.288 -8.495 6.358 1.00 0.00 C ATOM 377 C LEU A 25 91.355 -9.262 7.137 1.00 0.00 C ATOM 378 O LEU A 25 92.415 -8.753 7.440 1.00 0.00 O ATOM 379 CB LEU A 25 89.639 -7.457 7.273 1.00 0.00 C ATOM 380 CG LEU A 25 88.652 -6.607 6.474 1.00 0.00 C ATOM 381 CD1 LEU A 25 87.627 -5.986 7.429 1.00 0.00 C ATOM 382 CD2 LEU A 25 89.422 -5.494 5.756 1.00 0.00 C ATOM 0 H LEU A 25 88.512 -9.660 6.564 1.00 0.00 H new ATOM 0 HA LEU A 25 90.739 -7.989 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 25 89.123 -7.955 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 25 90.405 -6.821 7.717 1.00 0.00 H new ATOM 0 HG LEU A 25 88.134 -7.228 5.743 1.00 0.00 H new ATOM 0 HD11 LEU A 25 86.922 -5.379 6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 25 87.088 -6.778 7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 25 88.141 -5.359 8.157 1.00 0.00 H new ATOM 0 HD21 LEU A 25 88.726 -4.882 5.183 1.00 0.00 H new ATOM 0 HD22 LEU A 25 89.932 -4.872 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 25 90.156 -5.936 5.082 1.00 0.00 H new ATOM 394 N ARG A 26 91.070 -10.492 7.455 1.00 0.00 N ATOM 395 CA ARG A 26 92.041 -11.334 8.206 1.00 0.00 C ATOM 396 C ARG A 26 92.813 -12.222 7.220 1.00 0.00 C ATOM 397 O ARG A 26 92.235 -12.824 6.338 1.00 0.00 O ATOM 398 CB ARG A 26 91.271 -12.207 9.209 1.00 0.00 C ATOM 399 CG ARG A 26 90.750 -11.334 10.355 1.00 0.00 C ATOM 400 CD ARG A 26 91.686 -11.460 11.556 1.00 0.00 C ATOM 401 NE ARG A 26 91.161 -10.640 12.684 1.00 0.00 N ATOM 402 CZ ARG A 26 91.620 -10.830 13.889 1.00 0.00 C ATOM 403 NH1 ARG A 26 92.597 -11.668 14.086 1.00 0.00 N ATOM 404 NH2 ARG A 26 91.129 -10.159 14.892 1.00 0.00 N ATOM 0 H ARG A 26 90.192 -10.957 7.223 1.00 0.00 H new ATOM 0 HA ARG A 26 92.748 -10.702 8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 26 90.439 -12.705 8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 26 91.922 -12.989 9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 26 90.689 -10.294 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 26 89.742 -11.642 10.632 1.00 0.00 H new ATOM 0 HD2 ARG A 26 91.768 -12.504 11.859 1.00 0.00 H new ATOM 0 HD3 ARG A 26 92.688 -11.127 11.286 1.00 0.00 H new ATOM 0 HE ARG A 26 90.446 -9.933 12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 26 93.001 -12.174 13.298 1.00 0.00 H new ATOM 0 HH12 ARG A 26 92.958 -11.818 15.028 1.00 0.00 H new ATOM 0 HH21 ARG A 26 90.382 -9.482 14.736 1.00 0.00 H new ATOM 0 HH22 ARG A 26 91.491 -10.311 15.833 1.00 0.00 H new ATOM 418 N GLY A 27 94.112 -12.309 7.362 1.00 0.00 N ATOM 419 CA GLY A 27 94.915 -13.165 6.435 1.00 0.00 C ATOM 420 C GLY A 27 95.209 -12.406 5.132 1.00 0.00 C ATOM 421 O GLY A 27 95.859 -12.915 4.238 1.00 0.00 O ATOM 0 H GLY A 27 94.651 -11.824 8.080 1.00 0.00 H new ATOM 0 HA2 GLY A 27 95.850 -13.455 6.914 1.00 0.00 H new ATOM 0 HA3 GLY A 27 94.372 -14.084 6.214 1.00 0.00 H new ATOM 425 N LYS A 28 94.737 -11.190 5.017 1.00 0.00 N ATOM 426 CA LYS A 28 94.986 -10.399 3.778 1.00 0.00 C ATOM 427 C LYS A 28 96.050 -9.333 4.058 1.00 0.00 C ATOM 428 O LYS A 28 96.036 -8.674 5.079 1.00 0.00 O ATOM 429 CB LYS A 28 93.685 -9.728 3.327 1.00 0.00 C ATOM 430 CG LYS A 28 92.642 -10.811 3.039 1.00 0.00 C ATOM 431 CD LYS A 28 91.634 -10.306 2.002 1.00 0.00 C ATOM 432 CE LYS A 28 92.212 -10.495 0.596 1.00 0.00 C ATOM 433 NZ LYS A 28 92.279 -11.947 0.270 1.00 0.00 N ATOM 0 H LYS A 28 94.188 -10.711 5.731 1.00 0.00 H new ATOM 0 HA LYS A 28 95.339 -11.062 2.988 1.00 0.00 H new ATOM 0 HB2 LYS A 28 93.322 -9.051 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 28 93.861 -9.127 2.435 1.00 0.00 H new ATOM 0 HG2 LYS A 28 93.133 -11.712 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 92.124 -11.083 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 28 90.694 -10.850 2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 28 91.412 -9.253 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 91.591 -9.977 -0.135 1.00 0.00 H new ATOM 0 HE3 LYS A 28 93.207 -10.054 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 92.220 -12.074 -0.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 93.177 -12.340 0.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 91.486 -12.442 0.726 1.00 0.00 H new ATOM 447 N ARG A 29 96.975 -9.163 3.160 1.00 0.00 N ATOM 448 CA ARG A 29 98.049 -8.149 3.370 1.00 0.00 C ATOM 449 C ARG A 29 97.468 -6.734 3.313 1.00 0.00 C ATOM 450 O ARG A 29 96.394 -6.506 2.789 1.00 0.00 O ATOM 451 CB ARG A 29 99.110 -8.307 2.283 1.00 0.00 C ATOM 452 CG ARG A 29 98.483 -8.010 0.917 1.00 0.00 C ATOM 453 CD ARG A 29 99.529 -8.226 -0.183 1.00 0.00 C ATOM 454 NE ARG A 29 98.921 -8.002 -1.532 1.00 0.00 N ATOM 455 CZ ARG A 29 99.702 -7.847 -2.571 1.00 0.00 C ATOM 456 NH1 ARG A 29 100.993 -7.901 -2.420 1.00 0.00 N ATOM 457 NH2 ARG A 29 99.199 -7.630 -3.758 1.00 0.00 N ATOM 0 H ARG A 29 97.037 -9.683 2.285 1.00 0.00 H new ATOM 0 HA ARG A 29 98.496 -8.305 4.352 1.00 0.00 H new ATOM 0 HB2 ARG A 29 99.942 -7.628 2.469 1.00 0.00 H new ATOM 0 HB3 ARG A 29 99.515 -9.319 2.298 1.00 0.00 H new ATOM 0 HG2 ARG A 29 97.624 -8.660 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 29 98.116 -6.984 0.889 1.00 0.00 H new ATOM 0 HD2 ARG A 29 100.366 -7.544 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 29 99.928 -9.238 -0.120 1.00 0.00 H new ATOM 0 HE ARG A 29 97.907 -7.970 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 29 101.392 -8.063 -1.495 1.00 0.00 H new ATOM 0 HH12 ARG A 29 101.606 -7.781 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 29 98.188 -7.580 -3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 29 99.818 -7.511 -4.560 1.00 0.00 H new ATOM 471 N ASP A 30 98.182 -5.780 3.852 1.00 0.00 N ATOM 472 CA ASP A 30 97.702 -4.366 3.844 1.00 0.00 C ATOM 473 C ASP A 30 97.463 -3.902 2.421 1.00 0.00 C ATOM 474 O ASP A 30 98.135 -4.321 1.499 1.00 0.00 O ATOM 475 CB ASP A 30 98.762 -3.458 4.454 1.00 0.00 C ATOM 476 CG ASP A 30 98.965 -3.824 5.914 1.00 0.00 C ATOM 477 OD1 ASP A 30 98.059 -4.395 6.493 1.00 0.00 O ATOM 478 OD2 ASP A 30 100.026 -3.523 6.433 1.00 0.00 O ATOM 0 H ASP A 30 99.086 -5.922 4.302 1.00 0.00 H new ATOM 0 HA ASP A 30 96.777 -4.318 4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.700 -3.560 3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 30 98.455 -2.415 4.369 1.00 0.00 H new ATOM 483 N GLY A 31 96.533 -3.019 2.236 1.00 0.00 N ATOM 484 CA GLY A 31 96.276 -2.506 0.865 1.00 0.00 C ATOM 485 C GLY A 31 95.001 -3.123 0.302 1.00 0.00 C ATOM 486 O GLY A 31 94.299 -2.518 -0.485 1.00 0.00 O ATOM 0 H GLY A 31 95.940 -2.629 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 31 96.184 -1.420 0.887 1.00 0.00 H new ATOM 0 HA3 GLY A 31 97.120 -2.742 0.217 1.00 0.00 H new ATOM 490 N THR A 32 94.695 -4.323 0.700 1.00 0.00 N ATOM 491 CA THR A 32 93.466 -4.979 0.191 1.00 0.00 C ATOM 492 C THR A 32 92.276 -4.439 0.979 1.00 0.00 C ATOM 493 O THR A 32 92.220 -4.566 2.185 1.00 0.00 O ATOM 494 CB THR A 32 93.581 -6.496 0.396 1.00 0.00 C ATOM 495 OG1 THR A 32 94.731 -6.984 -0.285 1.00 0.00 O ATOM 496 CG2 THR A 32 92.337 -7.195 -0.148 1.00 0.00 C ATOM 0 H THR A 32 95.244 -4.877 1.357 1.00 0.00 H new ATOM 0 HA THR A 32 93.334 -4.774 -0.871 1.00 0.00 H new ATOM 0 HB THR A 32 93.671 -6.702 1.463 1.00 0.00 H new ATOM 0 HG1 THR A 32 94.456 -7.434 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 32 92.429 -8.271 0.002 1.00 0.00 H new ATOM 0 HG22 THR A 32 91.455 -6.829 0.378 1.00 0.00 H new ATOM 0 HG23 THR A 32 92.238 -6.985 -1.213 1.00 0.00 H new ATOM 504 N PHE A 33 91.324 -3.832 0.325 1.00 0.00 N ATOM 505 CA PHE A 33 90.162 -3.298 1.083 1.00 0.00 C ATOM 506 C PHE A 33 88.874 -3.646 0.356 1.00 0.00 C ATOM 507 O PHE A 33 88.879 -4.019 -0.799 1.00 0.00 O ATOM 508 CB PHE A 33 90.277 -1.776 1.231 1.00 0.00 C ATOM 509 CG PHE A 33 89.522 -1.065 0.128 1.00 0.00 C ATOM 510 CD1 PHE A 33 89.858 -1.270 -1.210 1.00 0.00 C ATOM 511 CD2 PHE A 33 88.489 -0.175 0.459 1.00 0.00 C ATOM 512 CE1 PHE A 33 89.161 -0.582 -2.217 1.00 0.00 C ATOM 513 CE2 PHE A 33 87.799 0.504 -0.549 1.00 0.00 C ATOM 514 CZ PHE A 33 88.135 0.302 -1.880 1.00 0.00 C ATOM 0 H PHE A 33 91.301 -3.685 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 33 90.152 -3.748 2.076 1.00 0.00 H new ATOM 0 HB2 PHE A 33 89.884 -1.471 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 33 91.327 -1.483 1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 33 90.651 -1.955 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 33 88.227 -0.014 1.494 1.00 0.00 H new ATOM 0 HE1 PHE A 33 89.420 -0.737 -3.254 1.00 0.00 H new ATOM 0 HE2 PHE A 33 87.003 1.187 -0.292 1.00 0.00 H new ATOM 0 HZ PHE A 33 87.602 0.830 -2.657 1.00 0.00 H new ATOM 524 N LEU A 34 87.769 -3.521 1.022 1.00 0.00 N ATOM 525 CA LEU A 34 86.477 -3.839 0.363 1.00 0.00 C ATOM 526 C LEU A 34 85.470 -2.734 0.663 1.00 0.00 C ATOM 527 O LEU A 34 85.588 -2.020 1.640 1.00 0.00 O ATOM 528 CB LEU A 34 85.947 -5.177 0.882 1.00 0.00 C ATOM 529 CG LEU A 34 85.736 -5.096 2.394 1.00 0.00 C ATOM 530 CD1 LEU A 34 84.572 -6.000 2.805 1.00 0.00 C ATOM 531 CD2 LEU A 34 87.008 -5.554 3.102 1.00 0.00 C ATOM 0 H LEU A 34 87.702 -3.213 1.992 1.00 0.00 H new ATOM 0 HA LEU A 34 86.627 -3.910 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 34 85.008 -5.424 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 34 86.651 -5.975 0.646 1.00 0.00 H new ATOM 0 HG LEU A 34 85.506 -4.068 2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 34 84.426 -5.938 3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 34 83.663 -5.677 2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 34 84.796 -7.030 2.528 1.00 0.00 H new ATOM 0 HD21 LEU A 34 86.864 -5.499 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 34 87.232 -6.582 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 87.838 -4.909 2.813 1.00 0.00 H new ATOM 543 N VAL A 35 84.476 -2.592 -0.163 1.00 0.00 N ATOM 544 CA VAL A 35 83.462 -1.540 0.083 1.00 0.00 C ATOM 545 C VAL A 35 82.111 -2.205 0.357 1.00 0.00 C ATOM 546 O VAL A 35 81.623 -2.997 -0.425 1.00 0.00 O ATOM 547 CB VAL A 35 83.359 -0.622 -1.135 1.00 0.00 C ATOM 548 CG1 VAL A 35 82.268 0.420 -0.889 1.00 0.00 C ATOM 549 CG2 VAL A 35 84.699 0.088 -1.349 1.00 0.00 C ATOM 0 H VAL A 35 84.323 -3.159 -0.997 1.00 0.00 H new ATOM 0 HA VAL A 35 83.754 -0.941 0.946 1.00 0.00 H new ATOM 0 HB VAL A 35 83.112 -1.210 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 35 82.191 1.077 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 35 81.314 -0.083 -0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 82.520 1.010 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 35 84.629 0.744 -2.217 1.00 0.00 H new ATOM 0 HG22 VAL A 35 84.942 0.679 -0.466 1.00 0.00 H new ATOM 0 HG23 VAL A 35 85.481 -0.653 -1.516 1.00 0.00 H new ATOM 559 N ARG A 36 81.507 -1.892 1.471 1.00 0.00 N ATOM 560 CA ARG A 36 80.192 -2.504 1.817 1.00 0.00 C ATOM 561 C ARG A 36 79.435 -1.537 2.711 1.00 0.00 C ATOM 562 O ARG A 36 79.941 -0.496 3.073 1.00 0.00 O ATOM 563 CB ARG A 36 80.405 -3.825 2.568 1.00 0.00 C ATOM 564 CG ARG A 36 81.015 -3.554 3.951 1.00 0.00 C ATOM 565 CD ARG A 36 81.206 -4.884 4.684 1.00 0.00 C ATOM 566 NE ARG A 36 80.680 -4.770 6.083 1.00 0.00 N ATOM 567 CZ ARG A 36 80.940 -3.717 6.819 1.00 0.00 C ATOM 568 NH1 ARG A 36 81.721 -2.766 6.379 1.00 0.00 N ATOM 569 NH2 ARG A 36 80.427 -3.621 8.016 1.00 0.00 N ATOM 0 H ARG A 36 81.870 -1.234 2.161 1.00 0.00 H new ATOM 0 HA ARG A 36 79.629 -2.705 0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 36 79.455 -4.347 2.677 1.00 0.00 H new ATOM 0 HB3 ARG A 36 81.063 -4.477 1.993 1.00 0.00 H new ATOM 0 HG2 ARG A 36 81.971 -3.042 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 36 80.363 -2.897 4.527 1.00 0.00 H new ATOM 0 HD2 ARG A 36 80.685 -5.681 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 82.263 -5.151 4.703 1.00 0.00 H new ATOM 0 HE ARG A 36 80.111 -5.524 6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 36 82.138 -2.837 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 36 81.914 -1.953 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 36 79.827 -4.364 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 36 80.627 -2.803 8.592 1.00 0.00 H new ATOM 583 N GLU A 37 78.235 -1.864 3.083 1.00 0.00 N ATOM 584 CA GLU A 37 77.480 -0.953 3.966 1.00 0.00 C ATOM 585 C GLU A 37 77.528 -1.492 5.383 1.00 0.00 C ATOM 586 O GLU A 37 77.895 -2.627 5.614 1.00 0.00 O ATOM 587 CB GLU A 37 76.024 -0.873 3.496 1.00 0.00 C ATOM 588 CG GLU A 37 75.492 -2.283 3.254 1.00 0.00 C ATOM 589 CD GLU A 37 75.858 -2.730 1.835 1.00 0.00 C ATOM 590 OE1 GLU A 37 76.347 -1.902 1.083 1.00 0.00 O ATOM 591 OE2 GLU A 37 75.642 -3.890 1.525 1.00 0.00 O ATOM 0 H GLU A 37 77.749 -2.719 2.814 1.00 0.00 H new ATOM 0 HA GLU A 37 77.921 0.043 3.934 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.416 -0.366 4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.957 -0.285 2.581 1.00 0.00 H new ATOM 0 HG2 GLU A 37 75.914 -2.973 3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 37 74.410 -2.303 3.385 1.00 0.00 H new ATOM 677 N TYR A 44 76.989 3.503 3.935 1.00 0.00 N ATOM 678 CA TYR A 44 78.062 2.818 3.151 1.00 0.00 C ATOM 679 C TYR A 44 79.357 2.800 3.978 1.00 0.00 C ATOM 680 O TYR A 44 79.603 3.685 4.769 1.00 0.00 O ATOM 681 CB TYR A 44 78.300 3.570 1.832 1.00 0.00 C ATOM 682 CG TYR A 44 77.032 3.562 1.009 1.00 0.00 C ATOM 683 CD1 TYR A 44 76.696 2.431 0.255 1.00 0.00 C ATOM 684 CD2 TYR A 44 76.192 4.683 0.999 1.00 0.00 C ATOM 685 CE1 TYR A 44 75.519 2.420 -0.505 1.00 0.00 C ATOM 686 CE2 TYR A 44 75.016 4.671 0.240 1.00 0.00 C ATOM 687 CZ TYR A 44 74.681 3.539 -0.509 1.00 0.00 C ATOM 688 OH TYR A 44 73.524 3.534 -1.256 1.00 0.00 O ATOM 0 HA TYR A 44 77.756 1.796 2.928 1.00 0.00 H new ATOM 0 HB2 TYR A 44 78.607 4.596 2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 44 79.110 3.100 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 44 77.344 1.567 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 44 76.452 5.557 1.577 1.00 0.00 H new ATOM 0 HE1 TYR A 44 75.259 1.548 -1.087 1.00 0.00 H new ATOM 0 HE2 TYR A 44 74.368 5.535 0.233 1.00 0.00 H new ATOM 0 HH TYR A 44 73.059 4.389 -1.145 1.00 0.00 H new ATOM 698 N ALA A 45 80.190 1.805 3.820 1.00 0.00 N ATOM 699 CA ALA A 45 81.447 1.779 4.623 1.00 0.00 C ATOM 700 C ALA A 45 82.482 0.895 3.934 1.00 0.00 C ATOM 701 O ALA A 45 82.174 -0.177 3.453 1.00 0.00 O ATOM 702 CB ALA A 45 81.150 1.218 6.012 1.00 0.00 C ATOM 0 H ALA A 45 80.058 1.021 3.181 1.00 0.00 H new ATOM 0 HA ALA A 45 81.838 2.793 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 45 82.067 1.198 6.600 1.00 0.00 H new ATOM 0 HB2 ALA A 45 80.414 1.849 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 45 80.757 0.206 5.919 1.00 0.00 H new ATOM 708 N CYS A 46 83.715 1.326 3.891 1.00 0.00 N ATOM 709 CA CYS A 46 84.758 0.488 3.246 1.00 0.00 C ATOM 710 C CYS A 46 85.793 0.091 4.289 1.00 0.00 C ATOM 711 O CYS A 46 86.293 0.906 5.035 1.00 0.00 O ATOM 712 CB CYS A 46 85.420 1.256 2.100 1.00 0.00 C ATOM 713 SG CYS A 46 86.418 2.611 2.766 1.00 0.00 S ATOM 0 H CYS A 46 84.040 2.215 4.272 1.00 0.00 H new ATOM 0 HA CYS A 46 84.300 -0.411 2.833 1.00 0.00 H new ATOM 0 HB2 CYS A 46 86.047 0.584 1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 46 84.659 1.650 1.426 1.00 0.00 H new ATOM 0 HG CYS A 46 86.979 3.258 1.788 1.00 0.00 H new ATOM 719 N SER A 47 86.095 -1.171 4.358 1.00 0.00 N ATOM 720 CA SER A 47 87.073 -1.642 5.373 1.00 0.00 C ATOM 721 C SER A 47 88.395 -2.023 4.711 1.00 0.00 C ATOM 722 O SER A 47 88.425 -2.636 3.662 1.00 0.00 O ATOM 723 CB SER A 47 86.495 -2.861 6.092 1.00 0.00 C ATOM 724 OG SER A 47 87.298 -3.166 7.224 1.00 0.00 O ATOM 0 H SER A 47 85.708 -1.898 3.756 1.00 0.00 H new ATOM 0 HA SER A 47 87.261 -0.838 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 47 85.470 -2.661 6.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 86.462 -3.715 5.415 1.00 0.00 H new ATOM 0 HG SER A 47 86.809 -2.940 8.043 1.00 0.00 H new ATOM 730 N VAL A 48 89.491 -1.666 5.324 1.00 0.00 N ATOM 731 CA VAL A 48 90.814 -2.010 4.739 1.00 0.00 C ATOM 732 C VAL A 48 91.679 -2.696 5.789 1.00 0.00 C ATOM 733 O VAL A 48 91.353 -2.726 6.959 1.00 0.00 O ATOM 734 CB VAL A 48 91.546 -0.744 4.290 1.00 0.00 C ATOM 735 CG1 VAL A 48 91.788 0.175 5.500 1.00 0.00 C ATOM 736 CG2 VAL A 48 92.893 -1.132 3.662 1.00 0.00 C ATOM 0 H VAL A 48 89.525 -1.151 6.204 1.00 0.00 H new ATOM 0 HA VAL A 48 90.645 -2.668 3.886 1.00 0.00 H new ATOM 0 HB VAL A 48 90.938 -0.216 3.556 1.00 0.00 H new ATOM 0 HG11 VAL A 48 92.310 1.075 5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 48 90.832 0.450 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 48 92.394 -0.349 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 48 93.417 -0.232 3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 48 93.498 -1.662 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 48 92.720 -1.778 2.801 1.00 0.00 H new ATOM 746 N VAL A 49 92.794 -3.221 5.373 1.00 0.00 N ATOM 747 CA VAL A 49 93.719 -3.887 6.337 1.00 0.00 C ATOM 748 C VAL A 49 95.021 -3.086 6.404 1.00 0.00 C ATOM 749 O VAL A 49 95.568 -2.707 5.387 1.00 0.00 O ATOM 750 CB VAL A 49 94.025 -5.307 5.868 1.00 0.00 C ATOM 751 CG1 VAL A 49 95.026 -5.965 6.826 1.00 0.00 C ATOM 752 CG2 VAL A 49 92.731 -6.115 5.846 1.00 0.00 C ATOM 0 H VAL A 49 93.109 -3.219 4.403 1.00 0.00 H new ATOM 0 HA VAL A 49 93.252 -3.930 7.321 1.00 0.00 H new ATOM 0 HB VAL A 49 94.457 -5.276 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 49 95.241 -6.978 6.487 1.00 0.00 H new ATOM 0 HG12 VAL A 49 95.948 -5.384 6.844 1.00 0.00 H new ATOM 0 HG13 VAL A 49 94.600 -6.000 7.829 1.00 0.00 H new ATOM 0 HG21 VAL A 49 92.942 -7.131 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 49 92.303 -6.144 6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 49 92.022 -5.648 5.162 1.00 0.00 H new ATOM 762 N VAL A 50 95.535 -2.822 7.576 1.00 0.00 N ATOM 763 CA VAL A 50 96.804 -2.049 7.642 1.00 0.00 C ATOM 764 C VAL A 50 97.851 -2.821 8.451 1.00 0.00 C ATOM 765 O VAL A 50 97.540 -3.683 9.252 1.00 0.00 O ATOM 766 CB VAL A 50 96.558 -0.670 8.261 1.00 0.00 C ATOM 767 CG1 VAL A 50 96.458 -0.793 9.776 1.00 0.00 C ATOM 768 CG2 VAL A 50 97.718 0.262 7.897 1.00 0.00 C ATOM 0 H VAL A 50 95.139 -3.103 8.473 1.00 0.00 H new ATOM 0 HA VAL A 50 97.181 -1.908 6.629 1.00 0.00 H new ATOM 0 HB VAL A 50 95.624 -0.262 7.874 1.00 0.00 H new ATOM 0 HG11 VAL A 50 96.283 0.191 10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 50 95.631 -1.455 10.034 1.00 0.00 H new ATOM 0 HG13 VAL A 50 97.388 -1.203 10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 50 97.547 1.245 8.336 1.00 0.00 H new ATOM 0 HG22 VAL A 50 98.651 -0.150 8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 50 97.783 0.355 6.813 1.00 0.00 H new ATOM 778 N ASP A 51 99.090 -2.506 8.214 1.00 0.00 N ATOM 779 CA ASP A 51 100.225 -3.192 8.901 1.00 0.00 C ATOM 780 C ASP A 51 99.993 -3.226 10.400 1.00 0.00 C ATOM 781 O ASP A 51 100.698 -3.884 11.140 1.00 0.00 O ATOM 782 CB ASP A 51 101.506 -2.411 8.615 1.00 0.00 C ATOM 783 CG ASP A 51 101.456 -1.081 9.368 1.00 0.00 C ATOM 784 OD1 ASP A 51 100.485 -0.858 10.073 1.00 0.00 O ATOM 785 OD2 ASP A 51 102.388 -0.309 9.228 1.00 0.00 O ATOM 0 H ASP A 51 99.375 -1.782 7.555 1.00 0.00 H new ATOM 0 HA ASP A 51 100.305 -4.215 8.533 1.00 0.00 H new ATOM 0 HB2 ASP A 51 102.376 -2.988 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 51 101.608 -2.234 7.544 1.00 0.00 H new ATOM 790 N GLY A 52 99.020 -2.513 10.848 1.00 0.00 N ATOM 791 CA GLY A 52 98.732 -2.482 12.301 1.00 0.00 C ATOM 792 C GLY A 52 97.595 -3.446 12.618 1.00 0.00 C ATOM 793 O GLY A 52 97.739 -4.358 13.405 1.00 0.00 O ATOM 0 H GLY A 52 98.402 -1.943 10.271 1.00 0.00 H new ATOM 0 HA2 GLY A 52 99.623 -2.757 12.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 98.461 -1.471 12.607 1.00 0.00 H new ATOM 797 N GLU A 53 96.462 -3.248 12.010 1.00 0.00 N ATOM 798 CA GLU A 53 95.310 -4.153 12.279 1.00 0.00 C ATOM 799 C GLU A 53 94.246 -3.968 11.199 1.00 0.00 C ATOM 800 O GLU A 53 94.417 -3.228 10.253 1.00 0.00 O ATOM 801 CB GLU A 53 94.699 -3.839 13.654 1.00 0.00 C ATOM 802 CG GLU A 53 95.627 -4.299 14.780 1.00 0.00 C ATOM 803 CD GLU A 53 94.810 -4.419 16.066 1.00 0.00 C ATOM 804 OE1 GLU A 53 93.670 -3.983 16.055 1.00 0.00 O ATOM 805 OE2 GLU A 53 95.332 -4.943 17.035 1.00 0.00 O ATOM 0 H GLU A 53 96.282 -2.501 11.339 1.00 0.00 H new ATOM 0 HA GLU A 53 95.664 -5.184 12.271 1.00 0.00 H new ATOM 0 HB2 GLU A 53 94.519 -2.768 13.740 1.00 0.00 H new ATOM 0 HB3 GLU A 53 93.732 -4.334 13.749 1.00 0.00 H new ATOM 0 HG2 GLU A 53 96.080 -5.258 14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 53 96.441 -3.587 14.914 1.00 0.00 H new ATOM 812 N VAL A 54 93.131 -4.625 11.351 1.00 0.00 N ATOM 813 CA VAL A 54 92.034 -4.486 10.373 1.00 0.00 C ATOM 814 C VAL A 54 91.122 -3.343 10.847 1.00 0.00 C ATOM 815 O VAL A 54 90.579 -3.387 11.932 1.00 0.00 O ATOM 816 CB VAL A 54 91.264 -5.809 10.335 1.00 0.00 C ATOM 817 CG1 VAL A 54 92.132 -6.906 9.722 1.00 0.00 C ATOM 818 CG2 VAL A 54 90.902 -6.229 11.757 1.00 0.00 C ATOM 0 H VAL A 54 92.937 -5.260 12.125 1.00 0.00 H new ATOM 0 HA VAL A 54 92.407 -4.259 9.374 1.00 0.00 H new ATOM 0 HB VAL A 54 90.364 -5.669 9.736 1.00 0.00 H new ATOM 0 HG11 VAL A 54 91.574 -7.842 9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 54 92.409 -6.625 8.706 1.00 0.00 H new ATOM 0 HG13 VAL A 54 93.033 -7.035 10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 54 90.354 -7.171 11.730 1.00 0.00 H new ATOM 0 HG22 VAL A 54 91.813 -6.356 12.342 1.00 0.00 H new ATOM 0 HG23 VAL A 54 90.280 -5.460 12.216 1.00 0.00 H new ATOM 828 N LYS A 55 90.959 -2.308 10.067 1.00 0.00 N ATOM 829 CA LYS A 55 90.090 -1.179 10.523 1.00 0.00 C ATOM 830 C LYS A 55 88.922 -0.983 9.561 1.00 0.00 C ATOM 831 O LYS A 55 88.985 -1.360 8.408 1.00 0.00 O ATOM 832 CB LYS A 55 90.900 0.113 10.580 1.00 0.00 C ATOM 833 CG LYS A 55 91.957 0.003 11.676 1.00 0.00 C ATOM 834 CD LYS A 55 93.219 -0.632 11.106 1.00 0.00 C ATOM 835 CE LYS A 55 94.299 -0.638 12.185 1.00 0.00 C ATOM 836 NZ LYS A 55 94.963 0.694 12.238 1.00 0.00 N ATOM 0 H LYS A 55 91.382 -2.193 9.146 1.00 0.00 H new ATOM 0 HA LYS A 55 89.708 -1.422 11.514 1.00 0.00 H new ATOM 0 HB2 LYS A 55 91.377 0.299 9.618 1.00 0.00 H new ATOM 0 HB3 LYS A 55 90.242 0.959 10.778 1.00 0.00 H new ATOM 0 HG2 LYS A 55 92.184 0.991 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 55 91.577 -0.597 12.503 1.00 0.00 H new ATOM 0 HD2 LYS A 55 93.012 -1.649 10.774 1.00 0.00 H new ATOM 0 HD3 LYS A 55 93.561 -0.075 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 55 93.858 -0.874 13.153 1.00 0.00 H new ATOM 0 HE3 LYS A 55 95.035 -1.414 11.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 95.983 0.567 12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 94.812 1.193 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 94.558 1.253 13.016 1.00 0.00 H new ATOM 850 N HIS A 56 87.855 -0.392 10.028 1.00 0.00 N ATOM 851 CA HIS A 56 86.681 -0.169 9.139 1.00 0.00 C ATOM 852 C HIS A 56 86.507 1.325 8.869 1.00 0.00 C ATOM 853 O HIS A 56 86.433 2.128 9.779 1.00 0.00 O ATOM 854 CB HIS A 56 85.419 -0.697 9.818 1.00 0.00 C ATOM 855 CG HIS A 56 85.586 -2.160 10.102 1.00 0.00 C ATOM 856 ND1 HIS A 56 85.732 -3.088 9.089 1.00 0.00 N ATOM 857 CD2 HIS A 56 85.645 -2.870 11.277 1.00 0.00 C ATOM 858 CE1 HIS A 56 85.872 -4.297 9.663 1.00 0.00 C ATOM 859 NE2 HIS A 56 85.826 -4.221 10.997 1.00 0.00 N ATOM 0 H HIS A 56 87.747 -0.055 10.985 1.00 0.00 H new ATOM 0 HA HIS A 56 86.846 -0.694 8.198 1.00 0.00 H new ATOM 0 HB2 HIS A 56 85.236 -0.153 10.745 1.00 0.00 H new ATOM 0 HB3 HIS A 56 84.552 -0.536 9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 56 85.563 -2.445 12.266 1.00 0.00 H new ATOM 0 HE1 HIS A 56 86.005 -5.217 9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 56 85.906 -4.988 11.665 1.00 0.00 H new ATOM 867 N CYS A 57 86.414 1.701 7.627 1.00 0.00 N ATOM 868 CA CYS A 57 86.214 3.135 7.300 1.00 0.00 C ATOM 869 C CYS A 57 84.767 3.326 6.874 1.00 0.00 C ATOM 870 O CYS A 57 84.254 2.608 6.038 1.00 0.00 O ATOM 871 CB CYS A 57 87.149 3.565 6.170 1.00 0.00 C ATOM 872 SG CYS A 57 86.881 5.322 5.827 1.00 0.00 S ATOM 0 H CYS A 57 86.468 1.075 6.823 1.00 0.00 H new ATOM 0 HA CYS A 57 86.438 3.746 8.174 1.00 0.00 H new ATOM 0 HB2 CYS A 57 88.187 3.390 6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 57 86.957 2.972 5.275 1.00 0.00 H new ATOM 0 HG CYS A 57 87.672 5.703 4.868 1.00 0.00 H new ATOM 878 N VAL A 58 84.095 4.267 7.466 1.00 0.00 N ATOM 879 CA VAL A 58 82.664 4.483 7.123 1.00 0.00 C ATOM 880 C VAL A 58 82.528 5.411 5.915 1.00 0.00 C ATOM 881 O VAL A 58 83.187 6.426 5.819 1.00 0.00 O ATOM 882 CB VAL A 58 81.949 5.103 8.327 1.00 0.00 C ATOM 883 CG1 VAL A 58 82.187 6.616 8.342 1.00 0.00 C ATOM 884 CG2 VAL A 58 80.441 4.831 8.237 1.00 0.00 C ATOM 0 H VAL A 58 84.473 4.897 8.173 1.00 0.00 H new ATOM 0 HA VAL A 58 82.214 3.523 6.871 1.00 0.00 H new ATOM 0 HB VAL A 58 82.343 4.659 9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 58 81.678 7.056 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 58 83.256 6.815 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 58 81.797 7.055 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 58 79.939 5.275 9.097 1.00 0.00 H new ATOM 0 HG22 VAL A 58 80.046 5.269 7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 58 80.265 3.755 8.230 1.00 0.00 H new ATOM 894 N ILE A 59 81.653 5.067 5.005 1.00 0.00 N ATOM 895 CA ILE A 59 81.426 5.915 3.800 1.00 0.00 C ATOM 896 C ILE A 59 79.965 6.376 3.808 1.00 0.00 C ATOM 897 O ILE A 59 79.057 5.579 3.930 1.00 0.00 O ATOM 898 CB ILE A 59 81.698 5.100 2.527 1.00 0.00 C ATOM 899 CG1 ILE A 59 83.131 4.550 2.568 1.00 0.00 C ATOM 900 CG2 ILE A 59 81.528 5.996 1.295 1.00 0.00 C ATOM 901 CD1 ILE A 59 84.119 5.712 2.708 1.00 0.00 C ATOM 0 H ILE A 59 81.080 4.224 5.048 1.00 0.00 H new ATOM 0 HA ILE A 59 82.097 6.774 3.817 1.00 0.00 H new ATOM 0 HB ILE A 59 80.992 4.272 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 59 83.243 3.860 3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 59 83.342 3.986 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 59 81.722 5.415 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 59 80.510 6.384 1.265 1.00 0.00 H new ATOM 0 HG23 ILE A 59 82.232 6.827 1.349 1.00 0.00 H new ATOM 0 HD11 ILE A 59 85.137 5.323 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 59 84.012 6.385 1.857 1.00 0.00 H new ATOM 0 HD13 ILE A 59 83.912 6.256 3.629 1.00 0.00 H new ATOM 913 N ASN A 60 79.719 7.649 3.707 1.00 0.00 N ATOM 914 CA ASN A 60 78.302 8.128 3.740 1.00 0.00 C ATOM 915 C ASN A 60 77.968 8.901 2.458 1.00 0.00 C ATOM 916 O ASN A 60 78.823 9.206 1.652 1.00 0.00 O ATOM 917 CB ASN A 60 78.124 9.050 4.946 1.00 0.00 C ATOM 918 CG ASN A 60 78.405 8.265 6.233 1.00 0.00 C ATOM 919 OD1 ASN A 60 79.104 8.741 7.105 1.00 0.00 O ATOM 920 ND2 ASN A 60 77.888 7.073 6.385 1.00 0.00 N ATOM 0 H ASN A 60 80.426 8.377 3.604 1.00 0.00 H new ATOM 0 HA ASN A 60 77.634 7.270 3.815 1.00 0.00 H new ATOM 0 HB2 ASN A 60 78.801 9.901 4.871 1.00 0.00 H new ATOM 0 HB3 ASN A 60 77.110 9.450 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 60 78.072 6.542 7.236 1.00 0.00 H new ATOM 0 HD22 ASN A 60 77.301 6.674 5.652 1.00 0.00 H new ATOM 1167 N SER A 77 82.738 11.405 -8.088 1.00 0.00 N ATOM 1168 CA SER A 77 81.999 10.113 -8.174 1.00 0.00 C ATOM 1169 C SER A 77 82.611 9.098 -7.209 1.00 0.00 C ATOM 1170 O SER A 77 83.736 9.239 -6.769 1.00 0.00 O ATOM 1171 CB SER A 77 82.098 9.567 -9.602 1.00 0.00 C ATOM 1172 OG SER A 77 83.465 9.311 -9.912 1.00 0.00 O ATOM 0 HA SER A 77 80.955 10.280 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 77 81.514 8.651 -9.695 1.00 0.00 H new ATOM 0 HB3 SER A 77 81.681 10.285 -10.308 1.00 0.00 H new ATOM 0 HG SER A 77 83.533 8.960 -10.824 1.00 0.00 H new ATOM 1178 N LEU A 78 81.879 8.067 -6.885 1.00 0.00 N ATOM 1179 CA LEU A 78 82.415 7.027 -5.962 1.00 0.00 C ATOM 1180 C LEU A 78 83.651 6.381 -6.581 1.00 0.00 C ATOM 1181 O LEU A 78 84.621 6.104 -5.904 1.00 0.00 O ATOM 1182 CB LEU A 78 81.347 5.960 -5.737 1.00 0.00 C ATOM 1183 CG LEU A 78 80.220 6.551 -4.895 1.00 0.00 C ATOM 1184 CD1 LEU A 78 79.031 5.594 -4.892 1.00 0.00 C ATOM 1185 CD2 LEU A 78 80.714 6.760 -3.463 1.00 0.00 C ATOM 0 H LEU A 78 80.930 7.900 -7.221 1.00 0.00 H new ATOM 0 HA LEU A 78 82.685 7.487 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 78 80.958 5.610 -6.693 1.00 0.00 H new ATOM 0 HB3 LEU A 78 81.779 5.096 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 78 79.912 7.508 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 78 78.226 6.016 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 78 78.681 5.445 -5.914 1.00 0.00 H new ATOM 0 HD13 LEU A 78 79.336 4.636 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 78 79.911 7.182 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 78 81.021 5.803 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 78 81.563 7.444 -3.467 1.00 0.00 H new ATOM 1197 N LYS A 79 83.632 6.139 -7.864 1.00 0.00 N ATOM 1198 CA LYS A 79 84.818 5.510 -8.506 1.00 0.00 C ATOM 1199 C LYS A 79 86.032 6.401 -8.282 1.00 0.00 C ATOM 1200 O LYS A 79 87.117 5.931 -8.004 1.00 0.00 O ATOM 1201 CB LYS A 79 84.556 5.345 -10.000 1.00 0.00 C ATOM 1202 CG LYS A 79 83.574 4.188 -10.188 1.00 0.00 C ATOM 1203 CD LYS A 79 83.203 4.064 -11.662 1.00 0.00 C ATOM 1204 CE LYS A 79 81.958 3.181 -11.817 1.00 0.00 C ATOM 1205 NZ LYS A 79 81.264 3.545 -13.083 1.00 0.00 N ATOM 0 H LYS A 79 82.854 6.348 -8.489 1.00 0.00 H new ATOM 0 HA LYS A 79 85.005 4.529 -8.069 1.00 0.00 H new ATOM 0 HB2 LYS A 79 84.145 6.264 -10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 79 85.487 5.143 -10.529 1.00 0.00 H new ATOM 0 HG2 LYS A 79 84.021 3.258 -9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 79 82.678 4.358 -9.590 1.00 0.00 H new ATOM 0 HD2 LYS A 79 83.013 5.052 -12.082 1.00 0.00 H new ATOM 0 HD3 LYS A 79 84.035 3.635 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 79 82.242 2.129 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 79 81.289 3.319 -10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 80.418 2.952 -13.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 80.983 4.546 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 81.906 3.392 -13.887 1.00 0.00 H new ATOM 1219 N GLU A 80 85.855 7.683 -8.378 1.00 0.00 N ATOM 1220 CA GLU A 80 86.993 8.604 -8.146 1.00 0.00 C ATOM 1221 C GLU A 80 87.456 8.477 -6.687 1.00 0.00 C ATOM 1222 O GLU A 80 88.631 8.560 -6.387 1.00 0.00 O ATOM 1223 CB GLU A 80 86.534 10.034 -8.421 1.00 0.00 C ATOM 1224 CG GLU A 80 87.734 10.978 -8.387 1.00 0.00 C ATOM 1225 CD GLU A 80 87.246 12.412 -8.594 1.00 0.00 C ATOM 1226 OE1 GLU A 80 86.051 12.588 -8.769 1.00 0.00 O ATOM 1227 OE2 GLU A 80 88.071 13.310 -8.578 1.00 0.00 O ATOM 0 H GLU A 80 84.969 8.134 -8.608 1.00 0.00 H new ATOM 0 HA GLU A 80 87.821 8.353 -8.808 1.00 0.00 H new ATOM 0 HB2 GLU A 80 86.045 10.088 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 80 85.798 10.339 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 80 88.254 10.891 -7.433 1.00 0.00 H new ATOM 0 HG3 GLU A 80 88.448 10.707 -9.165 1.00 0.00 H new ATOM 1234 N LEU A 81 86.537 8.285 -5.773 1.00 0.00 N ATOM 1235 CA LEU A 81 86.926 8.163 -4.338 1.00 0.00 C ATOM 1236 C LEU A 81 87.874 6.983 -4.147 1.00 0.00 C ATOM 1237 O LEU A 81 88.872 7.090 -3.464 1.00 0.00 O ATOM 1238 CB LEU A 81 85.680 7.930 -3.481 1.00 0.00 C ATOM 1239 CG LEU A 81 86.088 7.816 -2.005 1.00 0.00 C ATOM 1240 CD1 LEU A 81 84.973 8.378 -1.123 1.00 0.00 C ATOM 1241 CD2 LEU A 81 86.321 6.343 -1.643 1.00 0.00 C ATOM 0 H LEU A 81 85.537 8.208 -5.960 1.00 0.00 H new ATOM 0 HA LEU A 81 87.422 9.085 -4.036 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.976 8.752 -3.612 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.171 7.020 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 81 87.007 8.380 -1.843 1.00 0.00 H new ATOM 0 HD11 LEU A 81 85.262 8.297 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.804 9.425 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 81 84.056 7.813 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 81 86.610 6.267 -0.595 1.00 0.00 H new ATOM 0 HD22 LEU A 81 85.403 5.778 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 81 87.115 5.936 -2.269 1.00 0.00 H new ATOM 1253 N VAL A 82 87.570 5.853 -4.718 1.00 0.00 N ATOM 1254 CA VAL A 82 88.463 4.677 -4.528 1.00 0.00 C ATOM 1255 C VAL A 82 89.839 4.973 -5.130 1.00 0.00 C ATOM 1256 O VAL A 82 90.856 4.629 -4.564 1.00 0.00 O ATOM 1257 CB VAL A 82 87.848 3.451 -5.208 1.00 0.00 C ATOM 1258 CG1 VAL A 82 88.787 2.251 -5.066 1.00 0.00 C ATOM 1259 CG2 VAL A 82 86.507 3.126 -4.550 1.00 0.00 C ATOM 0 H VAL A 82 86.750 5.692 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 82 88.576 4.476 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 82 87.697 3.665 -6.266 1.00 0.00 H new ATOM 0 HG11 VAL A 82 88.343 1.382 -5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 82 89.744 2.480 -5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 82 88.944 2.035 -4.009 1.00 0.00 H new ATOM 0 HG21 VAL A 82 86.067 2.253 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 82 86.662 2.916 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 82 85.834 3.977 -4.656 1.00 0.00 H new ATOM 1269 N LEU A 83 89.887 5.596 -6.275 1.00 0.00 N ATOM 1270 CA LEU A 83 91.210 5.890 -6.905 1.00 0.00 C ATOM 1271 C LEU A 83 92.047 6.838 -6.031 1.00 0.00 C ATOM 1272 O LEU A 83 93.233 6.641 -5.859 1.00 0.00 O ATOM 1273 CB LEU A 83 90.987 6.538 -8.269 1.00 0.00 C ATOM 1274 CG LEU A 83 90.443 5.501 -9.244 1.00 0.00 C ATOM 1275 CD1 LEU A 83 89.932 6.220 -10.491 1.00 0.00 C ATOM 1276 CD2 LEU A 83 91.564 4.529 -9.631 1.00 0.00 C ATOM 0 H LEU A 83 89.073 5.914 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 83 91.752 4.950 -7.012 1.00 0.00 H new ATOM 0 HB2 LEU A 83 90.287 7.369 -8.178 1.00 0.00 H new ATOM 0 HB3 LEU A 83 91.924 6.950 -8.645 1.00 0.00 H new ATOM 0 HG LEU A 83 89.630 4.942 -8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 83 89.540 5.489 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 83 89.141 6.915 -10.211 1.00 0.00 H new ATOM 0 HD13 LEU A 83 90.751 6.770 -10.955 1.00 0.00 H new ATOM 0 HD21 LEU A 83 91.177 3.786 -10.329 1.00 0.00 H new ATOM 0 HD22 LEU A 83 92.377 5.081 -10.103 1.00 0.00 H new ATOM 0 HD23 LEU A 83 91.936 4.028 -8.737 1.00 0.00 H new ATOM 1288 N HIS A 84 91.454 7.871 -5.493 1.00 0.00 N ATOM 1289 CA HIS A 84 92.240 8.830 -4.653 1.00 0.00 C ATOM 1290 C HIS A 84 92.761 8.150 -3.386 1.00 0.00 C ATOM 1291 O HIS A 84 93.903 8.331 -3.005 1.00 0.00 O ATOM 1292 CB HIS A 84 91.359 10.020 -4.270 1.00 0.00 C ATOM 1293 CG HIS A 84 91.313 11.005 -5.410 1.00 0.00 C ATOM 1294 ND1 HIS A 84 90.328 10.962 -6.384 1.00 0.00 N ATOM 1295 CD2 HIS A 84 92.121 12.067 -5.741 1.00 0.00 C ATOM 1296 CE1 HIS A 84 90.564 11.968 -7.246 1.00 0.00 C ATOM 1297 NE2 HIS A 84 91.644 12.674 -6.902 1.00 0.00 N ATOM 0 H HIS A 84 90.464 8.094 -5.597 1.00 0.00 H new ATOM 0 HA HIS A 84 93.094 9.175 -5.235 1.00 0.00 H new ATOM 0 HB2 HIS A 84 90.352 9.678 -4.032 1.00 0.00 H new ATOM 0 HB3 HIS A 84 91.752 10.503 -3.375 1.00 0.00 H new ATOM 0 HD1 HIS A 84 89.563 10.290 -6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 84 92.992 12.383 -5.186 1.00 0.00 H new ATOM 0 HE1 HIS A 84 89.954 12.179 -8.112 1.00 0.00 H new ATOM 1305 N TYR A 85 91.955 7.371 -2.721 1.00 0.00 N ATOM 1306 CA TYR A 85 92.455 6.705 -1.488 1.00 0.00 C ATOM 1307 C TYR A 85 93.551 5.717 -1.866 1.00 0.00 C ATOM 1308 O TYR A 85 94.409 5.390 -1.070 1.00 0.00 O ATOM 1309 CB TYR A 85 91.320 5.975 -0.771 1.00 0.00 C ATOM 1310 CG TYR A 85 90.545 6.962 0.074 1.00 0.00 C ATOM 1311 CD1 TYR A 85 89.760 7.936 -0.546 1.00 0.00 C ATOM 1312 CD2 TYR A 85 90.617 6.903 1.475 1.00 0.00 C ATOM 1313 CE1 TYR A 85 89.043 8.854 0.228 1.00 0.00 C ATOM 1314 CE2 TYR A 85 89.897 7.822 2.251 1.00 0.00 C ATOM 1315 CZ TYR A 85 89.111 8.795 1.627 1.00 0.00 C ATOM 1316 OH TYR A 85 88.394 9.695 2.389 1.00 0.00 O ATOM 0 H TYR A 85 90.987 7.169 -2.972 1.00 0.00 H new ATOM 0 HA TYR A 85 92.855 7.460 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 85 90.659 5.504 -1.498 1.00 0.00 H new ATOM 0 HB3 TYR A 85 91.723 5.180 -0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 85 89.706 7.981 -1.624 1.00 0.00 H new ATOM 0 HD2 TYR A 85 91.226 6.151 1.954 1.00 0.00 H new ATOM 0 HE1 TYR A 85 88.437 9.608 -0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 85 89.949 7.778 3.329 1.00 0.00 H new ATOM 0 HH TYR A 85 88.551 9.516 3.340 1.00 0.00 H new ATOM 1326 N GLN A 86 93.537 5.246 -3.078 1.00 0.00 N ATOM 1327 CA GLN A 86 94.584 4.287 -3.517 1.00 0.00 C ATOM 1328 C GLN A 86 95.940 4.997 -3.574 1.00 0.00 C ATOM 1329 O GLN A 86 96.973 4.410 -3.319 1.00 0.00 O ATOM 1330 CB GLN A 86 94.222 3.748 -4.908 1.00 0.00 C ATOM 1331 CG GLN A 86 95.443 3.049 -5.514 1.00 0.00 C ATOM 1332 CD GLN A 86 95.021 2.193 -6.719 1.00 0.00 C ATOM 1333 OE1 GLN A 86 93.914 1.694 -6.767 1.00 0.00 O ATOM 1334 NE2 GLN A 86 95.864 1.999 -7.700 1.00 0.00 N ATOM 0 H GLN A 86 92.843 5.485 -3.787 1.00 0.00 H new ATOM 0 HA GLN A 86 94.644 3.460 -2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 86 93.388 3.050 -4.834 1.00 0.00 H new ATOM 0 HB3 GLN A 86 93.898 4.564 -5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 86 96.178 3.791 -5.825 1.00 0.00 H new ATOM 0 HG3 GLN A 86 95.922 2.421 -4.763 1.00 0.00 H new ATOM 0 HE21 GLN A 86 96.794 2.416 -7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 86 95.591 1.431 -8.502 1.00 0.00 H new ATOM 1343 N HIS A 87 95.946 6.259 -3.909 1.00 0.00 N ATOM 1344 CA HIS A 87 97.236 7.004 -3.983 1.00 0.00 C ATOM 1345 C HIS A 87 97.478 7.729 -2.657 1.00 0.00 C ATOM 1346 O HIS A 87 98.568 8.186 -2.377 1.00 0.00 O ATOM 1347 CB HIS A 87 97.178 8.013 -5.134 1.00 0.00 C ATOM 1348 CG HIS A 87 97.040 7.268 -6.435 1.00 0.00 C ATOM 1349 ND1 HIS A 87 95.809 6.859 -6.921 1.00 0.00 N ATOM 1350 CD2 HIS A 87 97.966 6.852 -7.359 1.00 0.00 C ATOM 1351 CE1 HIS A 87 96.023 6.226 -8.088 1.00 0.00 C ATOM 1352 NE2 HIS A 87 97.321 6.193 -8.402 1.00 0.00 N ATOM 0 H HIS A 87 95.115 6.806 -4.134 1.00 0.00 H new ATOM 0 HA HIS A 87 98.055 6.308 -4.164 1.00 0.00 H new ATOM 0 HB2 HIS A 87 96.336 8.691 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 87 98.081 8.624 -5.144 1.00 0.00 H new ATOM 0 HD1 HIS A 87 94.904 7.010 -6.475 1.00 0.00 H new ATOM 0 HD2 HIS A 87 99.032 7.012 -7.288 1.00 0.00 H new ATOM 0 HE1 HIS A 87 95.241 5.797 -8.697 1.00 0.00 H new ATOM 1360 N THR A 88 96.467 7.830 -1.837 1.00 0.00 N ATOM 1361 CA THR A 88 96.633 8.517 -0.525 1.00 0.00 C ATOM 1362 C THR A 88 96.612 7.483 0.599 1.00 0.00 C ATOM 1363 O THR A 88 95.727 6.654 0.675 1.00 0.00 O ATOM 1364 CB THR A 88 95.476 9.500 -0.330 1.00 0.00 C ATOM 1365 OG1 THR A 88 95.444 10.410 -1.420 1.00 0.00 O ATOM 1366 CG2 THR A 88 95.663 10.267 0.978 1.00 0.00 C ATOM 0 H THR A 88 95.532 7.466 -2.020 1.00 0.00 H new ATOM 0 HA THR A 88 97.583 9.051 -0.507 1.00 0.00 H new ATOM 0 HB THR A 88 94.536 8.950 -0.287 1.00 0.00 H new ATOM 0 HG1 THR A 88 94.968 10.002 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 88 94.837 10.965 1.112 1.00 0.00 H new ATOM 0 HG22 THR A 88 95.683 9.565 1.812 1.00 0.00 H new ATOM 0 HG23 THR A 88 96.602 10.819 0.945 1.00 0.00 H new ATOM 1374 N SER A 89 97.573 7.523 1.482 1.00 0.00 N ATOM 1375 CA SER A 89 97.588 6.546 2.601 1.00 0.00 C ATOM 1376 C SER A 89 96.486 6.925 3.596 1.00 0.00 C ATOM 1377 O SER A 89 96.255 8.088 3.864 1.00 0.00 O ATOM 1378 CB SER A 89 98.955 6.582 3.283 1.00 0.00 C ATOM 1379 OG SER A 89 99.061 5.480 4.176 1.00 0.00 O ATOM 0 H SER A 89 98.345 8.189 1.475 1.00 0.00 H new ATOM 0 HA SER A 89 97.408 5.537 2.229 1.00 0.00 H new ATOM 0 HB2 SER A 89 99.748 6.538 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 89 99.079 7.519 3.826 1.00 0.00 H new ATOM 0 HG SER A 89 99.982 5.146 4.175 1.00 0.00 H new ATOM 1385 N LEU A 90 95.790 5.958 4.131 1.00 0.00 N ATOM 1386 CA LEU A 90 94.689 6.265 5.093 1.00 0.00 C ATOM 1387 C LEU A 90 95.256 6.815 6.408 1.00 0.00 C ATOM 1388 O LEU A 90 94.528 7.380 7.193 1.00 0.00 O ATOM 1389 CB LEU A 90 93.881 4.998 5.372 1.00 0.00 C ATOM 1390 CG LEU A 90 92.935 4.727 4.198 1.00 0.00 C ATOM 1391 CD1 LEU A 90 93.721 4.138 3.021 1.00 0.00 C ATOM 1392 CD2 LEU A 90 91.845 3.743 4.634 1.00 0.00 C ATOM 0 H LEU A 90 95.936 4.966 3.944 1.00 0.00 H new ATOM 0 HA LEU A 90 94.042 7.022 4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 90 94.551 4.151 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 90 93.310 5.113 6.294 1.00 0.00 H new ATOM 0 HG LEU A 90 92.473 5.664 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 90 93.043 3.948 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 90 94.490 4.844 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 90 94.190 3.203 3.328 1.00 0.00 H new ATOM 0 HD21 LEU A 90 91.173 3.551 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 90 92.305 2.807 4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 90 91.280 4.169 5.463 1.00 0.00 H new ATOM 1404 N VAL A 91 96.539 6.646 6.651 1.00 0.00 N ATOM 1405 CA VAL A 91 97.166 7.162 7.925 1.00 0.00 C ATOM 1406 C VAL A 91 96.172 8.068 8.668 1.00 0.00 C ATOM 1407 O VAL A 91 95.717 7.753 9.750 1.00 0.00 O ATOM 1408 CB VAL A 91 98.414 7.965 7.553 1.00 0.00 C ATOM 1409 CG1 VAL A 91 98.970 8.668 8.789 1.00 0.00 C ATOM 1410 CG2 VAL A 91 99.468 7.011 6.992 1.00 0.00 C ATOM 0 H VAL A 91 97.185 6.171 6.021 1.00 0.00 H new ATOM 0 HA VAL A 91 97.432 6.328 8.575 1.00 0.00 H new ATOM 0 HB VAL A 91 98.155 8.715 6.806 1.00 0.00 H new ATOM 0 HG11 VAL A 91 99.858 9.237 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 91 98.216 9.344 9.193 1.00 0.00 H new ATOM 0 HG13 VAL A 91 99.233 7.926 9.542 1.00 0.00 H new ATOM 0 HG21 VAL A 91 100.362 7.574 6.724 1.00 0.00 H new ATOM 0 HG22 VAL A 91 99.721 6.265 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 91 99.073 6.513 6.106 1.00 0.00 H new ATOM 1420 N GLN A 92 95.828 9.174 8.059 1.00 0.00 N ATOM 1421 CA GLN A 92 94.843 10.147 8.645 1.00 0.00 C ATOM 1422 C GLN A 92 94.931 10.237 10.175 1.00 0.00 C ATOM 1423 O GLN A 92 95.999 10.203 10.752 1.00 0.00 O ATOM 1424 CB GLN A 92 93.441 9.722 8.247 1.00 0.00 C ATOM 1425 CG GLN A 92 93.306 9.866 6.741 1.00 0.00 C ATOM 1426 CD GLN A 92 91.946 9.337 6.323 1.00 0.00 C ATOM 1427 OE1 GLN A 92 91.241 8.750 7.120 1.00 0.00 O ATOM 1428 NE2 GLN A 92 91.547 9.517 5.101 1.00 0.00 N ATOM 0 H GLN A 92 96.199 9.455 7.151 1.00 0.00 H new ATOM 0 HA GLN A 92 95.083 11.135 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 92 93.258 8.690 8.547 1.00 0.00 H new ATOM 0 HB3 GLN A 92 92.699 10.338 8.755 1.00 0.00 H new ATOM 0 HG2 GLN A 92 93.411 10.911 6.450 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.098 9.314 6.236 1.00 0.00 H new ATOM 0 HE21 GLN A 92 92.144 10.011 4.437 1.00 0.00 H new ATOM 0 HE22 GLN A 92 90.637 9.165 4.805 1.00 0.00 H new ATOM 1437 N HIS A 93 93.800 10.374 10.834 1.00 0.00 N ATOM 1438 CA HIS A 93 93.811 10.484 12.318 1.00 0.00 C ATOM 1439 C HIS A 93 94.604 9.312 12.870 1.00 0.00 C ATOM 1440 O HIS A 93 95.529 9.478 13.639 1.00 0.00 O ATOM 1441 CB HIS A 93 92.377 10.450 12.839 1.00 0.00 C ATOM 1442 CG HIS A 93 92.363 10.701 14.320 1.00 0.00 C ATOM 1443 ND1 HIS A 93 92.677 11.937 14.869 1.00 0.00 N ATOM 1444 CD2 HIS A 93 92.063 9.886 15.381 1.00 0.00 C ATOM 1445 CE1 HIS A 93 92.558 11.828 16.206 1.00 0.00 C ATOM 1446 NE2 HIS A 93 92.188 10.599 16.571 1.00 0.00 N ATOM 0 H HIS A 93 92.876 10.413 10.403 1.00 0.00 H new ATOM 0 HA HIS A 93 94.270 11.421 12.634 1.00 0.00 H new ATOM 0 HB2 HIS A 93 91.778 11.204 12.328 1.00 0.00 H new ATOM 0 HB3 HIS A 93 91.925 9.482 12.621 1.00 0.00 H new ATOM 0 HD2 HIS A 93 91.774 8.848 15.305 1.00 0.00 H new ATOM 0 HE1 HIS A 93 92.740 12.637 16.898 1.00 0.00 H new ATOM 0 HE2 HIS A 93 92.030 10.255 17.518 1.00 0.00 H new ATOM 1454 N ASN A 94 94.288 8.126 12.433 1.00 0.00 N ATOM 1455 CA ASN A 94 95.071 6.953 12.890 1.00 0.00 C ATOM 1456 C ASN A 94 96.444 7.077 12.250 1.00 0.00 C ATOM 1457 O ASN A 94 96.711 6.504 11.215 1.00 0.00 O ATOM 1458 CB ASN A 94 94.406 5.655 12.419 1.00 0.00 C ATOM 1459 CG ASN A 94 93.064 5.476 13.127 1.00 0.00 C ATOM 1460 OD1 ASN A 94 92.267 4.645 12.740 1.00 0.00 O ATOM 1461 ND2 ASN A 94 92.778 6.229 14.155 1.00 0.00 N ATOM 0 H ASN A 94 93.527 7.922 11.785 1.00 0.00 H new ATOM 0 HA ASN A 94 95.133 6.926 13.978 1.00 0.00 H new ATOM 0 HB2 ASN A 94 94.257 5.682 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 94 95.055 4.805 12.630 1.00 0.00 H new ATOM 0 HD21 ASN A 94 91.884 6.120 14.634 1.00 0.00 H new ATOM 0 HD22 ASN A 94 93.448 6.926 14.479 1.00 0.00 H new ATOM 1468 N ASP A 95 97.315 7.842 12.848 1.00 0.00 N ATOM 1469 CA ASP A 95 98.663 8.023 12.257 1.00 0.00 C ATOM 1470 C ASP A 95 99.186 6.670 11.799 1.00 0.00 C ATOM 1471 O ASP A 95 100.186 6.583 11.117 1.00 0.00 O ATOM 1472 CB ASP A 95 99.603 8.607 13.309 1.00 0.00 C ATOM 1473 CG ASP A 95 100.949 8.938 12.664 1.00 0.00 C ATOM 1474 OD1 ASP A 95 101.069 8.751 11.465 1.00 0.00 O ATOM 1475 OD2 ASP A 95 101.833 9.373 13.382 1.00 0.00 O ATOM 0 H ASP A 95 97.149 8.347 13.718 1.00 0.00 H new ATOM 0 HA ASP A 95 98.608 8.703 11.407 1.00 0.00 H new ATOM 0 HB2 ASP A 95 99.166 9.506 13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 95 99.743 7.895 14.122 1.00 0.00 H new ATOM 1480 N SER A 96 98.524 5.610 12.173 1.00 0.00 N ATOM 1481 CA SER A 96 99.005 4.270 11.758 1.00 0.00 C ATOM 1482 C SER A 96 98.207 3.731 10.569 1.00 0.00 C ATOM 1483 O SER A 96 98.431 2.618 10.133 1.00 0.00 O ATOM 1484 CB SER A 96 98.902 3.295 12.938 1.00 0.00 C ATOM 1485 OG SER A 96 97.537 3.160 13.326 1.00 0.00 O ATOM 0 H SER A 96 97.678 5.616 12.743 1.00 0.00 H new ATOM 0 HA SER A 96 100.046 4.366 11.448 1.00 0.00 H new ATOM 0 HB2 SER A 96 99.309 2.324 12.657 1.00 0.00 H new ATOM 0 HB3 SER A 96 99.495 3.659 13.777 1.00 0.00 H new ATOM 0 HG SER A 96 97.471 2.536 14.079 1.00 0.00 H new ATOM 1491 N LEU A 97 97.303 4.482 10.008 1.00 0.00 N ATOM 1492 CA LEU A 97 96.571 3.925 8.842 1.00 0.00 C ATOM 1493 C LEU A 97 97.483 3.994 7.624 1.00 0.00 C ATOM 1494 O LEU A 97 97.110 4.480 6.577 1.00 0.00 O ATOM 1495 CB LEU A 97 95.287 4.713 8.586 1.00 0.00 C ATOM 1496 CG LEU A 97 94.133 4.032 9.318 1.00 0.00 C ATOM 1497 CD1 LEU A 97 92.923 4.971 9.364 1.00 0.00 C ATOM 1498 CD2 LEU A 97 93.759 2.750 8.568 1.00 0.00 C ATOM 0 H LEU A 97 97.046 5.426 10.295 1.00 0.00 H new ATOM 0 HA LEU A 97 96.293 2.890 9.043 1.00 0.00 H new ATOM 0 HB2 LEU A 97 95.400 5.740 8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.080 4.759 7.517 1.00 0.00 H new ATOM 0 HG LEU A 97 94.435 3.791 10.337 1.00 0.00 H new ATOM 0 HD11 LEU A 97 92.102 4.481 9.887 1.00 0.00 H new ATOM 0 HD12 LEU A 97 93.193 5.887 9.890 1.00 0.00 H new ATOM 0 HD13 LEU A 97 92.612 5.214 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 97 92.935 2.255 9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 97 93.455 2.999 7.551 1.00 0.00 H new ATOM 0 HD23 LEU A 97 94.620 2.083 8.536 1.00 0.00 H new ATOM 1510 N ASN A 98 98.689 3.511 7.755 1.00 0.00 N ATOM 1511 CA ASN A 98 99.635 3.565 6.613 1.00 0.00 C ATOM 1512 C ASN A 98 99.292 2.472 5.603 1.00 0.00 C ATOM 1513 O ASN A 98 99.903 1.424 5.560 1.00 0.00 O ATOM 1514 CB ASN A 98 101.052 3.362 7.143 1.00 0.00 C ATOM 1515 CG ASN A 98 102.071 3.700 6.053 1.00 0.00 C ATOM 1516 OD1 ASN A 98 101.760 3.668 4.879 1.00 0.00 O ATOM 1517 ND2 ASN A 98 103.284 4.022 6.401 1.00 0.00 N ATOM 0 H ASN A 98 99.056 3.082 8.605 1.00 0.00 H new ATOM 0 HA ASN A 98 99.563 4.532 6.115 1.00 0.00 H new ATOM 0 HB2 ASN A 98 101.217 3.994 8.015 1.00 0.00 H new ATOM 0 HB3 ASN A 98 101.183 2.330 7.468 1.00 0.00 H new ATOM 0 HD21 ASN A 98 103.976 4.248 5.687 1.00 0.00 H new ATOM 0 HD22 ASN A 98 103.542 4.048 7.388 1.00 0.00 H new ATOM 1524 N VAL A 99 98.312 2.726 4.778 1.00 0.00 N ATOM 1525 CA VAL A 99 97.910 1.723 3.755 1.00 0.00 C ATOM 1526 C VAL A 99 97.100 2.420 2.669 1.00 0.00 C ATOM 1527 O VAL A 99 96.614 3.517 2.856 1.00 0.00 O ATOM 1528 CB VAL A 99 97.052 0.636 4.405 1.00 0.00 C ATOM 1529 CG1 VAL A 99 95.854 1.278 5.108 1.00 0.00 C ATOM 1530 CG2 VAL A 99 96.533 -0.327 3.335 1.00 0.00 C ATOM 0 H VAL A 99 97.771 3.591 4.770 1.00 0.00 H new ATOM 0 HA VAL A 99 98.801 1.267 3.322 1.00 0.00 H new ATOM 0 HB VAL A 99 97.661 0.092 5.127 1.00 0.00 H new ATOM 0 HG11 VAL A 99 95.244 0.502 5.570 1.00 0.00 H new ATOM 0 HG12 VAL A 99 96.208 1.966 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 99 95.255 1.824 4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 99 95.923 -1.098 3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 99 95.930 0.223 2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 99 97.376 -0.792 2.824 1.00 0.00 H new ATOM 1540 N THR A 100 96.948 1.803 1.535 1.00 0.00 N ATOM 1541 CA THR A 100 96.161 2.452 0.455 1.00 0.00 C ATOM 1542 C THR A 100 95.115 1.473 -0.090 1.00 0.00 C ATOM 1543 O THR A 100 95.265 0.274 -0.002 1.00 0.00 O ATOM 1544 CB THR A 100 97.105 2.867 -0.671 1.00 0.00 C ATOM 1545 OG1 THR A 100 97.637 1.701 -1.278 1.00 0.00 O ATOM 1546 CG2 THR A 100 98.249 3.715 -0.109 1.00 0.00 C ATOM 0 H THR A 100 97.331 0.885 1.309 1.00 0.00 H new ATOM 0 HA THR A 100 95.653 3.329 0.855 1.00 0.00 H new ATOM 0 HB THR A 100 96.556 3.455 -1.407 1.00 0.00 H new ATOM 0 HG1 THR A 100 98.243 1.958 -2.004 1.00 0.00 H new ATOM 0 HG21 THR A 100 98.918 4.007 -0.919 1.00 0.00 H new ATOM 0 HG22 THR A 100 97.841 4.608 0.364 1.00 0.00 H new ATOM 0 HG23 THR A 100 98.804 3.135 0.628 1.00 0.00 H new ATOM 1554 N LEU A 101 94.060 1.977 -0.663 1.00 0.00 N ATOM 1555 CA LEU A 101 93.010 1.071 -1.219 1.00 0.00 C ATOM 1556 C LEU A 101 93.364 0.744 -2.671 1.00 0.00 C ATOM 1557 O LEU A 101 92.585 0.955 -3.580 1.00 0.00 O ATOM 1558 CB LEU A 101 91.659 1.783 -1.173 1.00 0.00 C ATOM 1559 CG LEU A 101 91.507 2.473 0.179 1.00 0.00 C ATOM 1560 CD1 LEU A 101 90.159 3.195 0.229 1.00 0.00 C ATOM 1561 CD2 LEU A 101 91.555 1.426 1.292 1.00 0.00 C ATOM 0 H LEU A 101 93.876 2.974 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 101 92.957 0.153 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 101 91.591 2.514 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 101 90.851 1.067 -1.323 1.00 0.00 H new ATOM 0 HG LEU A 101 92.316 3.191 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 101 90.047 3.689 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 101 90.115 3.938 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 101 89.354 2.472 0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 101 91.447 1.918 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 101 90.743 0.712 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 101 92.510 0.901 1.257 1.00 0.00 H new ATOM 1573 N ALA A 102 94.554 0.261 -2.887 1.00 0.00 N ATOM 1574 CA ALA A 102 95.013 -0.050 -4.266 1.00 0.00 C ATOM 1575 C ALA A 102 94.676 -1.480 -4.682 1.00 0.00 C ATOM 1576 O ALA A 102 94.697 -1.796 -5.857 1.00 0.00 O ATOM 1577 CB ALA A 102 96.525 0.138 -4.315 1.00 0.00 C ATOM 0 H ALA A 102 95.237 0.066 -2.155 1.00 0.00 H new ATOM 0 HA ALA A 102 94.501 0.619 -4.957 1.00 0.00 H new ATOM 0 HB1 ALA A 102 96.887 -0.085 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 102 96.772 1.169 -4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 102 96.999 -0.535 -3.601 1.00 0.00 H new ATOM 1583 N TYR A 103 94.386 -2.362 -3.771 1.00 0.00 N ATOM 1584 CA TYR A 103 94.086 -3.747 -4.205 1.00 0.00 C ATOM 1585 C TYR A 103 92.643 -4.117 -3.853 1.00 0.00 C ATOM 1586 O TYR A 103 92.315 -4.306 -2.705 1.00 0.00 O ATOM 1587 CB TYR A 103 95.042 -4.716 -3.506 1.00 0.00 C ATOM 1588 CG TYR A 103 94.748 -6.114 -3.973 1.00 0.00 C ATOM 1589 CD1 TYR A 103 95.175 -6.526 -5.235 1.00 0.00 C ATOM 1590 CD2 TYR A 103 94.050 -6.996 -3.147 1.00 0.00 C ATOM 1591 CE1 TYR A 103 94.905 -7.827 -5.675 1.00 0.00 C ATOM 1592 CE2 TYR A 103 93.776 -8.299 -3.582 1.00 0.00 C ATOM 1593 CZ TYR A 103 94.206 -8.717 -4.850 1.00 0.00 C ATOM 1594 OH TYR A 103 93.939 -10.001 -5.287 1.00 0.00 O ATOM 0 H TYR A 103 94.344 -2.189 -2.767 1.00 0.00 H new ATOM 0 HA TYR A 103 94.213 -3.813 -5.286 1.00 0.00 H new ATOM 0 HB2 TYR A 103 96.076 -4.453 -3.731 1.00 0.00 H new ATOM 0 HB3 TYR A 103 94.924 -4.647 -2.425 1.00 0.00 H new ATOM 0 HD1 TYR A 103 95.714 -5.841 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 103 93.720 -6.673 -2.170 1.00 0.00 H new ATOM 0 HE1 TYR A 103 95.236 -8.145 -6.652 1.00 0.00 H new ATOM 0 HE2 TYR A 103 93.235 -8.980 -2.942 1.00 0.00 H new ATOM 0 HH TYR A 103 93.447 -10.487 -4.593 1.00 0.00 H new ATOM 1604 N PRO A 104 91.791 -4.252 -4.838 1.00 0.00 N ATOM 1605 CA PRO A 104 90.374 -4.652 -4.604 1.00 0.00 C ATOM 1606 C PRO A 104 90.298 -6.014 -3.920 1.00 0.00 C ATOM 1607 O PRO A 104 91.122 -6.876 -4.149 1.00 0.00 O ATOM 1608 CB PRO A 104 89.760 -4.749 -5.997 1.00 0.00 C ATOM 1609 CG PRO A 104 90.693 -4.030 -6.919 1.00 0.00 C ATOM 1610 CD PRO A 104 92.073 -4.027 -6.264 1.00 0.00 C ATOM 0 HA PRO A 104 89.858 -3.940 -3.960 1.00 0.00 H new ATOM 0 HB2 PRO A 104 89.642 -5.790 -6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 104 88.768 -4.297 -6.017 1.00 0.00 H new ATOM 0 HG2 PRO A 104 90.730 -4.525 -7.889 1.00 0.00 H new ATOM 0 HG3 PRO A 104 90.349 -3.011 -7.094 1.00 0.00 H new ATOM 0 HD2 PRO A 104 92.711 -4.811 -6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 104 92.589 -3.080 -6.424 1.00 0.00 H new ATOM 1618 N VAL A 105 89.319 -6.223 -3.091 1.00 0.00 N ATOM 1619 CA VAL A 105 89.212 -7.542 -2.418 1.00 0.00 C ATOM 1620 C VAL A 105 88.863 -8.603 -3.469 1.00 0.00 C ATOM 1621 O VAL A 105 89.123 -9.775 -3.293 1.00 0.00 O ATOM 1622 CB VAL A 105 88.133 -7.487 -1.341 1.00 0.00 C ATOM 1623 CG1 VAL A 105 86.786 -7.177 -1.996 1.00 0.00 C ATOM 1624 CG2 VAL A 105 88.064 -8.843 -0.630 1.00 0.00 C ATOM 0 H VAL A 105 88.595 -5.546 -2.852 1.00 0.00 H new ATOM 0 HA VAL A 105 90.159 -7.797 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 105 88.370 -6.709 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 105 86.010 -7.136 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 105 86.843 -6.216 -2.507 1.00 0.00 H new ATOM 0 HG13 VAL A 105 86.544 -7.958 -2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 105 87.295 -8.811 0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 105 87.820 -9.621 -1.353 1.00 0.00 H new ATOM 0 HG23 VAL A 105 89.028 -9.063 -0.172 1.00 0.00 H new ATOM 1634 N TYR A 106 88.293 -8.192 -4.574 1.00 0.00 N ATOM 1635 CA TYR A 106 87.950 -9.166 -5.649 1.00 0.00 C ATOM 1636 C TYR A 106 88.511 -8.671 -6.979 1.00 0.00 C ATOM 1637 O TYR A 106 87.781 -8.433 -7.918 1.00 0.00 O ATOM 1638 CB TYR A 106 86.433 -9.317 -5.770 1.00 0.00 C ATOM 1639 CG TYR A 106 85.913 -10.092 -4.588 1.00 0.00 C ATOM 1640 CD1 TYR A 106 86.200 -11.458 -4.473 1.00 0.00 C ATOM 1641 CD2 TYR A 106 85.145 -9.452 -3.610 1.00 0.00 C ATOM 1642 CE1 TYR A 106 85.725 -12.183 -3.380 1.00 0.00 C ATOM 1643 CE2 TYR A 106 84.668 -10.178 -2.514 1.00 0.00 C ATOM 1644 CZ TYR A 106 84.958 -11.544 -2.398 1.00 0.00 C ATOM 1645 OH TYR A 106 84.490 -12.259 -1.315 1.00 0.00 O ATOM 0 H TYR A 106 88.051 -7.222 -4.776 1.00 0.00 H new ATOM 0 HA TYR A 106 88.384 -10.133 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 106 85.961 -8.336 -5.812 1.00 0.00 H new ATOM 0 HB3 TYR A 106 86.180 -9.832 -6.697 1.00 0.00 H new ATOM 0 HD1 TYR A 106 86.790 -11.951 -5.232 1.00 0.00 H new ATOM 0 HD2 TYR A 106 84.921 -8.399 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 106 85.949 -13.236 -3.291 1.00 0.00 H new ATOM 0 HE2 TYR A 106 84.076 -9.686 -1.757 1.00 0.00 H new ATOM 0 HH TYR A 106 83.977 -11.665 -0.728 1.00 0.00 H new ATOM 1655 N ALA A 107 89.800 -8.518 -7.077 1.00 0.00 N ATOM 1656 CA ALA A 107 90.382 -8.041 -8.360 1.00 0.00 C ATOM 1657 C ALA A 107 90.195 -9.128 -9.415 1.00 0.00 C ATOM 1658 O ALA A 107 90.513 -8.944 -10.572 1.00 0.00 O ATOM 1659 CB ALA A 107 91.872 -7.755 -8.190 1.00 0.00 C ATOM 0 H ALA A 107 90.471 -8.701 -6.331 1.00 0.00 H new ATOM 0 HA ALA A 107 89.880 -7.123 -8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 107 92.286 -7.407 -9.136 1.00 0.00 H new ATOM 0 HB2 ALA A 107 92.011 -6.987 -7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 107 92.385 -8.667 -7.883 1.00 0.00 H new