USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1051 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 65 LYS NZ :NH3+ -171:sc= 0.121 (180deg=0.438) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.321 X(o=-0.2,f=0.14) USER MOD Set 2.1: A 27 TYR OH : rot -146:sc= 1.07 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -179:sc= 1.08 (180deg=0.193) USER MOD Set 3.1: A 33 ASN : amide:sc= 0.106 X(o=0.0091,f=-0.062) USER MOD Set 3.2: A 59 ASN : amide:sc= -0.097 X(o=0.0091,f=0.018) USER MOD Set 4.1: A 9 THR OG1 : rot -109:sc= 0.29 USER MOD Set 4.2: A 83 GLN :FLIP amide:sc= 0.337 F(o=-0.26,f=0.63) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 1.49 (180deg=-1.01!) USER MOD Single : A 8 ASN : amide:sc= -0.927 K(o=-0.93,f=-3.1!) USER MOD Single : A 10 ASN : amide:sc= 0.00885 X(o=0.0089,f=0) USER MOD Single : A 11 ASN : amide:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.2) USER MOD Single : A 19 LYS NZ :NH3+ 145:sc= 0.16 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -116:sc= 0.973 (180deg=-0.203) USER MOD Single : A 24 ASN : amide:sc= 0.629 K(o=0.63,f=-0.00035) USER MOD Single : A 25 GLN : amide:sc= -0.43 K(o=-0.43,f=-4.4!) USER MOD Single : A 28 GLN :FLIP amide:sc= -2.14 F(o=-3.1,f=-2.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -153:sc= -0.89 (180deg=-1.02) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0152) USER MOD Single : A 44 LYS NZ :NH3+ -164:sc= 0.0193 (180deg=-0.063) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 58 SER OG : rot 39:sc= -0.218 USER MOD Single : A 61 LYS NZ :NH3+ -144:sc= 0.78 (180deg=0.0387) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 MET CE :methyl -115:sc= -0.599 (180deg=-1.66) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -157:sc= 0.656 (180deg=0.359) USER MOD Single : A 76 TYR OH : rot -155:sc= 0.86 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.325 X(o=-0.32,f=-0.38) USER MOD Single : A 88 ASN : amide:sc= -0.128 X(o=-0.13,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0.31 (180deg=0.269) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 150:sc= -0.357 USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 0.075 (180deg=0.0574) USER MOD Single : A 108 THR OG1 : rot 31:sc= 0.244 USER MOD Single : A 115 LYS NZ :NH3+ 139:sc= -0.721 (180deg=-2.53!) USER MOD Single : A 121 MET CE :methyl -115:sc= -0.113 (180deg=-1.45!) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.736 6.372 4.121 1.00 53.30 N ATOM 21 CA LYS A 2 -11.995 5.325 3.396 1.00 71.10 C ATOM 22 C LYS A 2 -10.501 5.422 3.714 1.00 32.54 C ATOM 23 O LYS A 2 -9.951 6.519 3.889 1.00 40.33 O ATOM 24 CB LYS A 2 -12.209 5.420 1.866 1.00 1.43 C ATOM 25 CG LYS A 2 -13.678 5.303 1.413 1.00 75.35 C ATOM 26 CD LYS A 2 -13.822 5.362 -0.122 1.00 71.21 C ATOM 27 CE LYS A 2 -13.363 4.084 -0.832 1.00 72.13 C ATOM 28 NZ LYS A 2 -14.207 2.909 -0.462 1.00 72.30 N ATOM 0 HA LYS A 2 -12.381 4.362 3.729 1.00 71.10 H new ATOM 0 HB2 LYS A 2 -11.809 6.372 1.515 1.00 1.43 H new ATOM 0 HB3 LYS A 2 -11.630 4.633 1.382 1.00 1.43 H new ATOM 0 HG2 LYS A 2 -14.096 4.365 1.779 1.00 75.35 H new ATOM 0 HG3 LYS A 2 -14.260 6.108 1.862 1.00 75.35 H new ATOM 0 HD2 LYS A 2 -14.865 5.552 -0.373 1.00 71.21 H new ATOM 0 HD3 LYS A 2 -13.244 6.205 -0.500 1.00 71.21 H new ATOM 0 HE2 LYS A 2 -13.402 4.234 -1.911 1.00 72.13 H new ATOM 0 HE3 LYS A 2 -12.323 3.880 -0.576 1.00 72.13 H new ATOM 0 HZ1 LYS A 2 -14.225 2.232 -1.251 1.00 72.30 H new ATOM 0 HZ2 LYS A 2 -13.809 2.448 0.381 1.00 72.30 H new ATOM 0 HZ3 LYS A 2 -15.176 3.228 -0.258 1.00 72.30 H new ATOM 42 N GLU A 3 -9.864 4.254 3.760 1.00 31.44 N ATOM 43 CA GLU A 3 -8.452 4.090 4.124 1.00 23.41 C ATOM 44 C GLU A 3 -7.771 3.257 3.021 1.00 44.14 C ATOM 45 O GLU A 3 -8.176 2.116 2.759 1.00 52.12 O ATOM 46 CB GLU A 3 -8.332 3.369 5.498 1.00 4.30 C ATOM 47 CG GLU A 3 -9.232 3.916 6.635 1.00 31.23 C ATOM 48 CD GLU A 3 -9.373 2.963 7.844 1.00 72.54 C ATOM 49 OE1 GLU A 3 -8.629 1.959 7.949 1.00 14.31 O ATOM 50 OE2 GLU A 3 -10.260 3.199 8.689 1.00 71.13 O ATOM 0 H GLU A 3 -10.324 3.371 3.540 1.00 31.44 H new ATOM 0 HA GLU A 3 -7.969 5.063 4.212 1.00 23.41 H new ATOM 0 HB2 GLU A 3 -8.565 2.314 5.353 1.00 4.30 H new ATOM 0 HB3 GLU A 3 -7.294 3.424 5.825 1.00 4.30 H new ATOM 0 HG2 GLU A 3 -8.825 4.866 6.981 1.00 31.23 H new ATOM 0 HG3 GLU A 3 -10.223 4.122 6.231 1.00 31.23 H new ATOM 57 N LEU A 4 -6.781 3.848 2.350 1.00 62.32 N ATOM 58 CA LEU A 4 -6.035 3.202 1.257 1.00 72.03 C ATOM 59 C LEU A 4 -4.608 2.903 1.741 1.00 30.54 C ATOM 60 O LEU A 4 -3.824 3.823 1.999 1.00 40.52 O ATOM 61 CB LEU A 4 -6.031 4.106 -0.022 1.00 4.10 C ATOM 62 CG LEU A 4 -7.318 4.071 -0.931 1.00 3.00 C ATOM 63 CD1 LEU A 4 -7.551 2.658 -1.511 1.00 51.34 C ATOM 64 CD2 LEU A 4 -8.579 4.588 -0.195 1.00 12.24 C ATOM 0 H LEU A 4 -6.468 4.798 2.548 1.00 62.32 H new ATOM 0 HA LEU A 4 -6.520 2.265 0.982 1.00 72.03 H new ATOM 0 HB2 LEU A 4 -5.867 5.137 0.293 1.00 4.10 H new ATOM 0 HB3 LEU A 4 -5.176 3.821 -0.635 1.00 4.10 H new ATOM 0 HG LEU A 4 -7.136 4.755 -1.760 1.00 3.00 H new ATOM 0 HD11 LEU A 4 -8.445 2.663 -2.134 1.00 51.34 H new ATOM 0 HD12 LEU A 4 -6.691 2.366 -2.113 1.00 51.34 H new ATOM 0 HD13 LEU A 4 -7.681 1.947 -0.695 1.00 51.34 H new ATOM 0 HD21 LEU A 4 -9.436 4.542 -0.866 1.00 12.24 H new ATOM 0 HD22 LEU A 4 -8.770 3.967 0.680 1.00 12.24 H new ATOM 0 HD23 LEU A 4 -8.419 5.619 0.120 1.00 12.24 H new ATOM 76 N ILE A 5 -4.291 1.606 1.876 1.00 63.10 N ATOM 77 CA ILE A 5 -2.971 1.124 2.314 1.00 2.53 C ATOM 78 C ILE A 5 -2.286 0.403 1.142 1.00 62.55 C ATOM 79 O ILE A 5 -2.793 -0.593 0.634 1.00 13.22 O ATOM 80 CB ILE A 5 -3.086 0.173 3.571 1.00 14.14 C ATOM 81 CG1 ILE A 5 -1.706 -0.486 3.919 1.00 21.23 C ATOM 82 CG2 ILE A 5 -4.207 -0.878 3.393 1.00 65.14 C ATOM 83 CD1 ILE A 5 -1.697 -1.417 5.125 1.00 43.41 C ATOM 0 H ILE A 5 -4.951 0.853 1.682 1.00 63.10 H new ATOM 0 HA ILE A 5 -2.368 1.979 2.619 1.00 2.53 H new ATOM 0 HB ILE A 5 -3.368 0.790 4.424 1.00 14.14 H new ATOM 0 HG12 ILE A 5 -1.364 -1.047 3.049 1.00 21.23 H new ATOM 0 HG13 ILE A 5 -0.980 0.308 4.092 1.00 21.23 H new ATOM 0 HG21 ILE A 5 -4.255 -1.513 4.278 1.00 65.14 H new ATOM 0 HG22 ILE A 5 -5.163 -0.371 3.258 1.00 65.14 H new ATOM 0 HG23 ILE A 5 -3.995 -1.492 2.517 1.00 65.14 H new ATOM 0 HD11 ILE A 5 -0.692 -1.814 5.271 1.00 43.41 H new ATOM 0 HD12 ILE A 5 -2.001 -0.864 6.014 1.00 43.41 H new ATOM 0 HD13 ILE A 5 -2.391 -2.240 4.955 1.00 43.41 H new ATOM 95 N LEU A 6 -1.150 0.936 0.696 1.00 1.35 N ATOM 96 CA LEU A 6 -0.378 0.371 -0.418 1.00 33.11 C ATOM 97 C LEU A 6 0.846 -0.352 0.153 1.00 51.30 C ATOM 98 O LEU A 6 1.617 0.244 0.893 1.00 40.24 O ATOM 99 CB LEU A 6 0.055 1.480 -1.418 1.00 3.13 C ATOM 100 CG LEU A 6 -1.081 2.190 -2.238 1.00 42.33 C ATOM 101 CD1 LEU A 6 -1.990 3.081 -1.362 1.00 14.52 C ATOM 102 CD2 LEU A 6 -0.485 2.993 -3.405 1.00 64.02 C ATOM 0 H LEU A 6 -0.734 1.777 1.097 1.00 1.35 H new ATOM 0 HA LEU A 6 -1.000 -0.335 -0.968 1.00 33.11 H new ATOM 0 HB2 LEU A 6 0.598 2.244 -0.861 1.00 3.13 H new ATOM 0 HB3 LEU A 6 0.759 1.041 -2.125 1.00 3.13 H new ATOM 0 HG LEU A 6 -1.718 1.402 -2.640 1.00 42.33 H new ATOM 0 HD11 LEU A 6 -2.755 3.544 -1.985 1.00 14.52 H new ATOM 0 HD12 LEU A 6 -2.467 2.471 -0.595 1.00 14.52 H new ATOM 0 HD13 LEU A 6 -1.390 3.857 -0.887 1.00 14.52 H new ATOM 0 HD21 LEU A 6 -1.288 3.477 -3.961 1.00 64.02 H new ATOM 0 HD22 LEU A 6 0.195 3.751 -3.016 1.00 64.02 H new ATOM 0 HD23 LEU A 6 0.061 2.321 -4.067 1.00 64.02 H new ATOM 114 N ILE A 7 0.994 -1.644 -0.163 1.00 23.44 N ATOM 115 CA ILE A 7 2.144 -2.464 0.260 1.00 2.23 C ATOM 116 C ILE A 7 3.108 -2.600 -0.934 1.00 22.22 C ATOM 117 O ILE A 7 2.667 -2.737 -2.079 1.00 75.01 O ATOM 118 CB ILE A 7 1.722 -3.910 0.785 1.00 40.52 C ATOM 119 CG1 ILE A 7 0.878 -3.846 2.103 1.00 32.34 C ATOM 120 CG2 ILE A 7 2.955 -4.817 1.009 1.00 70.34 C ATOM 121 CD1 ILE A 7 -0.516 -3.283 1.959 1.00 14.21 C ATOM 0 H ILE A 7 0.315 -2.158 -0.724 1.00 23.44 H new ATOM 0 HA ILE A 7 2.624 -1.961 1.100 1.00 2.23 H new ATOM 0 HB ILE A 7 1.099 -4.341 0.001 1.00 40.52 H new ATOM 0 HG12 ILE A 7 0.803 -4.853 2.514 1.00 32.34 H new ATOM 0 HG13 ILE A 7 1.420 -3.243 2.832 1.00 32.34 H new ATOM 0 HG21 ILE A 7 2.628 -5.793 1.366 1.00 70.34 H new ATOM 0 HG22 ILE A 7 3.494 -4.936 0.069 1.00 70.34 H new ATOM 0 HG23 ILE A 7 3.612 -4.361 1.749 1.00 70.34 H new ATOM 0 HD11 ILE A 7 -1.011 -3.284 2.930 1.00 14.21 H new ATOM 0 HD12 ILE A 7 -0.459 -2.262 1.582 1.00 14.21 H new ATOM 0 HD13 ILE A 7 -1.086 -3.896 1.260 1.00 14.21 H new ATOM 133 N ASN A 8 4.414 -2.527 -0.653 1.00 21.12 N ATOM 134 CA ASN A 8 5.471 -2.813 -1.622 1.00 53.52 C ATOM 135 C ASN A 8 6.258 -4.010 -1.106 1.00 24.23 C ATOM 136 O ASN A 8 6.938 -3.907 -0.083 1.00 13.34 O ATOM 137 CB ASN A 8 6.414 -1.599 -1.797 1.00 33.44 C ATOM 138 CG ASN A 8 7.451 -1.757 -2.922 1.00 32.35 C ATOM 139 OD1 ASN A 8 8.589 -1.298 -2.801 1.00 15.41 O ATOM 140 ND2 ASN A 8 7.053 -2.345 -4.048 1.00 25.32 N ATOM 0 H ASN A 8 4.768 -2.264 0.267 1.00 21.12 H new ATOM 0 HA ASN A 8 5.029 -3.026 -2.595 1.00 53.52 H new ATOM 0 HB2 ASN A 8 5.812 -0.712 -1.996 1.00 33.44 H new ATOM 0 HB3 ASN A 8 6.939 -1.424 -0.858 1.00 33.44 H new ATOM 0 HD21 ASN A 8 7.695 -2.424 -4.837 1.00 25.32 H new ATOM 0 HD22 ASN A 8 6.106 -2.717 -4.122 1.00 25.32 H new ATOM 147 N THR A 9 6.100 -5.157 -1.761 1.00 41.51 N ATOM 148 CA THR A 9 6.873 -6.358 -1.450 1.00 51.03 C ATOM 149 C THR A 9 7.124 -7.161 -2.730 1.00 1.50 C ATOM 150 O THR A 9 6.221 -7.342 -3.558 1.00 4.41 O ATOM 151 CB THR A 9 6.190 -7.243 -0.350 1.00 70.34 C ATOM 152 OG1 THR A 9 6.916 -8.471 -0.171 1.00 3.54 O ATOM 153 CG2 THR A 9 4.717 -7.548 -0.655 1.00 30.34 C ATOM 0 H THR A 9 5.433 -5.281 -2.522 1.00 41.51 H new ATOM 0 HA THR A 9 7.829 -6.039 -1.035 1.00 51.03 H new ATOM 0 HB THR A 9 6.213 -6.662 0.572 1.00 70.34 H new ATOM 0 HG1 THR A 9 6.389 -9.217 -0.526 1.00 3.54 H new ATOM 0 HG21 THR A 9 4.300 -8.164 0.142 1.00 30.34 H new ATOM 0 HG22 THR A 9 4.158 -6.614 -0.722 1.00 30.34 H new ATOM 0 HG23 THR A 9 4.645 -8.083 -1.602 1.00 30.34 H new ATOM 161 N ASN A 10 8.373 -7.601 -2.889 1.00 61.54 N ATOM 162 CA ASN A 10 8.796 -8.487 -3.987 1.00 52.52 C ATOM 163 C ASN A 10 8.880 -9.944 -3.489 1.00 11.13 C ATOM 164 O ASN A 10 9.268 -10.846 -4.240 1.00 31.34 O ATOM 165 CB ASN A 10 10.155 -8.001 -4.540 1.00 2.42 C ATOM 166 CG ASN A 10 10.112 -6.538 -5.003 1.00 53.10 C ATOM 167 OD1 ASN A 10 10.390 -5.622 -4.230 1.00 23.34 O ATOM 168 ND2 ASN A 10 9.751 -6.302 -6.255 1.00 23.22 N ATOM 0 H ASN A 10 9.132 -7.352 -2.254 1.00 61.54 H new ATOM 0 HA ASN A 10 8.063 -8.454 -4.793 1.00 52.52 H new ATOM 0 HB2 ASN A 10 10.918 -8.113 -3.770 1.00 2.42 H new ATOM 0 HB3 ASN A 10 10.451 -8.635 -5.376 1.00 2.42 H new ATOM 0 HD21 ASN A 10 9.698 -5.343 -6.598 1.00 23.22 H new ATOM 0 HD22 ASN A 10 9.526 -7.079 -6.876 1.00 23.22 H new ATOM 175 N ASN A 11 8.512 -10.153 -2.209 1.00 71.34 N ATOM 176 CA ASN A 11 8.425 -11.479 -1.579 1.00 61.52 C ATOM 177 C ASN A 11 6.986 -12.000 -1.717 1.00 73.02 C ATOM 178 O ASN A 11 6.078 -11.557 -1.001 1.00 34.35 O ATOM 179 CB ASN A 11 8.875 -11.402 -0.087 1.00 22.23 C ATOM 180 CG ASN A 11 8.761 -12.736 0.683 1.00 71.13 C ATOM 181 OD1 ASN A 11 8.824 -13.820 0.106 1.00 2.54 O ATOM 182 ND2 ASN A 11 8.632 -12.660 2.002 1.00 11.23 N ATOM 0 H ASN A 11 8.264 -9.392 -1.577 1.00 71.34 H new ATOM 0 HA ASN A 11 9.097 -12.177 -2.079 1.00 61.52 H new ATOM 0 HB2 ASN A 11 9.910 -11.062 -0.049 1.00 22.23 H new ATOM 0 HB3 ASN A 11 8.274 -10.650 0.423 1.00 22.23 H new ATOM 0 HD21 ASN A 11 8.583 -13.513 2.560 1.00 11.23 H new ATOM 0 HD22 ASN A 11 8.582 -11.749 2.458 1.00 11.23 H new ATOM 189 N ASP A 12 6.794 -12.918 -2.676 1.00 64.33 N ATOM 190 CA ASP A 12 5.480 -13.512 -3.003 1.00 22.43 C ATOM 191 C ASP A 12 4.884 -14.277 -1.814 1.00 24.34 C ATOM 192 O ASP A 12 3.667 -14.271 -1.618 1.00 43.11 O ATOM 193 CB ASP A 12 5.603 -14.453 -4.224 1.00 72.51 C ATOM 194 CG ASP A 12 6.015 -13.707 -5.502 1.00 45.13 C ATOM 195 OD1 ASP A 12 7.228 -13.500 -5.715 1.00 21.32 O ATOM 196 OD2 ASP A 12 5.130 -13.315 -6.288 1.00 1.34 O ATOM 0 H ASP A 12 7.553 -13.276 -3.256 1.00 64.33 H new ATOM 0 HA ASP A 12 4.805 -12.691 -3.243 1.00 22.43 H new ATOM 0 HB2 ASP A 12 6.337 -15.229 -4.008 1.00 72.51 H new ATOM 0 HB3 ASP A 12 4.649 -14.953 -4.391 1.00 72.51 H new ATOM 201 N GLU A 13 5.773 -14.916 -1.029 1.00 25.03 N ATOM 202 CA GLU A 13 5.402 -15.675 0.175 1.00 62.10 C ATOM 203 C GLU A 13 4.746 -14.742 1.209 1.00 33.40 C ATOM 204 O GLU A 13 3.767 -15.119 1.854 1.00 24.45 O ATOM 205 CB GLU A 13 6.651 -16.365 0.781 1.00 40.45 C ATOM 206 CG GLU A 13 7.339 -17.375 -0.154 1.00 21.40 C ATOM 207 CD GLU A 13 8.573 -18.033 0.484 1.00 44.32 C ATOM 208 OE1 GLU A 13 8.403 -18.956 1.312 1.00 74.04 O ATOM 209 OE2 GLU A 13 9.716 -17.629 0.169 1.00 41.52 O ATOM 0 H GLU A 13 6.776 -14.918 -1.216 1.00 25.03 H new ATOM 0 HA GLU A 13 4.683 -16.446 -0.103 1.00 62.10 H new ATOM 0 HB2 GLU A 13 7.373 -15.599 1.062 1.00 40.45 H new ATOM 0 HB3 GLU A 13 6.358 -16.878 1.697 1.00 40.45 H new ATOM 0 HG2 GLU A 13 6.624 -18.149 -0.434 1.00 21.40 H new ATOM 0 HG3 GLU A 13 7.637 -16.869 -1.072 1.00 21.40 H new ATOM 216 N LEU A 14 5.284 -13.507 1.316 1.00 1.25 N ATOM 217 CA LEU A 14 4.729 -12.466 2.193 1.00 70.14 C ATOM 218 C LEU A 14 3.355 -12.003 1.691 1.00 24.03 C ATOM 219 O LEU A 14 2.441 -11.850 2.501 1.00 0.51 O ATOM 220 CB LEU A 14 5.674 -11.248 2.298 1.00 32.42 C ATOM 221 CG LEU A 14 5.133 -10.037 3.129 1.00 13.03 C ATOM 222 CD1 LEU A 14 4.764 -10.426 4.574 1.00 31.35 C ATOM 223 CD2 LEU A 14 6.118 -8.879 3.117 1.00 33.12 C ATOM 0 H LEU A 14 6.111 -13.210 0.798 1.00 1.25 H new ATOM 0 HA LEU A 14 4.621 -12.908 3.183 1.00 70.14 H new ATOM 0 HB2 LEU A 14 6.614 -11.578 2.741 1.00 32.42 H new ATOM 0 HB3 LEU A 14 5.902 -10.900 1.290 1.00 32.42 H new ATOM 0 HG LEU A 14 4.213 -9.714 2.642 1.00 13.03 H new ATOM 0 HD11 LEU A 14 4.395 -9.548 5.104 1.00 31.35 H new ATOM 0 HD12 LEU A 14 3.989 -11.193 4.558 1.00 31.35 H new ATOM 0 HD13 LEU A 14 5.647 -10.813 5.083 1.00 31.35 H new ATOM 0 HD21 LEU A 14 5.715 -8.052 3.702 1.00 33.12 H new ATOM 0 HD22 LEU A 14 7.065 -9.202 3.550 1.00 33.12 H new ATOM 0 HD23 LEU A 14 6.281 -8.551 2.090 1.00 33.12 H new ATOM 235 N ILE A 15 3.227 -11.782 0.355 1.00 34.41 N ATOM 236 CA ILE A 15 1.963 -11.310 -0.261 1.00 74.23 C ATOM 237 C ILE A 15 0.804 -12.256 0.128 1.00 3.23 C ATOM 238 O ILE A 15 -0.252 -11.796 0.541 1.00 14.45 O ATOM 239 CB ILE A 15 2.044 -11.197 -1.839 1.00 33.45 C ATOM 240 CG1 ILE A 15 3.285 -10.361 -2.283 1.00 32.14 C ATOM 241 CG2 ILE A 15 0.748 -10.579 -2.412 1.00 54.25 C ATOM 242 CD1 ILE A 15 3.492 -10.234 -3.791 1.00 41.13 C ATOM 0 H ILE A 15 3.985 -11.924 -0.313 1.00 34.41 H new ATOM 0 HA ILE A 15 1.784 -10.306 0.124 1.00 74.23 H new ATOM 0 HB ILE A 15 2.154 -12.206 -2.237 1.00 33.45 H new ATOM 0 HG12 ILE A 15 3.196 -9.360 -1.861 1.00 32.14 H new ATOM 0 HG13 ILE A 15 4.178 -10.811 -1.849 1.00 32.14 H new ATOM 0 HG21 ILE A 15 0.826 -10.511 -3.497 1.00 54.25 H new ATOM 0 HG22 ILE A 15 -0.102 -11.208 -2.148 1.00 54.25 H new ATOM 0 HG23 ILE A 15 0.605 -9.582 -1.995 1.00 54.25 H new ATOM 0 HD11 ILE A 15 4.381 -9.634 -3.987 1.00 41.13 H new ATOM 0 HD12 ILE A 15 3.620 -11.225 -4.225 1.00 41.13 H new ATOM 0 HD13 ILE A 15 2.623 -9.752 -4.238 1.00 41.13 H new ATOM 254 N LYS A 16 1.076 -13.578 0.051 1.00 54.53 N ATOM 255 CA LYS A 16 0.131 -14.650 0.454 1.00 34.13 C ATOM 256 C LYS A 16 -0.372 -14.445 1.904 1.00 52.22 C ATOM 257 O LYS A 16 -1.579 -14.449 2.161 1.00 71.35 O ATOM 258 CB LYS A 16 0.829 -16.037 0.349 1.00 42.04 C ATOM 259 CG LYS A 16 1.363 -16.406 -1.057 1.00 20.34 C ATOM 260 CD LYS A 16 0.256 -16.724 -2.087 1.00 52.34 C ATOM 261 CE LYS A 16 -0.581 -17.951 -1.687 1.00 1.23 C ATOM 262 NZ LYS A 16 -1.532 -18.357 -2.751 1.00 62.22 N ATOM 0 H LYS A 16 1.966 -13.937 -0.296 1.00 54.53 H new ATOM 0 HA LYS A 16 -0.725 -14.608 -0.219 1.00 34.13 H new ATOM 0 HB2 LYS A 16 1.661 -16.061 1.053 1.00 42.04 H new ATOM 0 HB3 LYS A 16 0.123 -16.805 0.664 1.00 42.04 H new ATOM 0 HG2 LYS A 16 1.968 -15.581 -1.433 1.00 20.34 H new ATOM 0 HG3 LYS A 16 2.022 -17.270 -0.969 1.00 20.34 H new ATOM 0 HD2 LYS A 16 -0.399 -15.859 -2.191 1.00 52.34 H new ATOM 0 HD3 LYS A 16 0.710 -16.899 -3.062 1.00 52.34 H new ATOM 0 HE2 LYS A 16 0.085 -18.784 -1.461 1.00 1.23 H new ATOM 0 HE3 LYS A 16 -1.134 -17.729 -0.774 1.00 1.23 H new ATOM 0 HZ1 LYS A 16 -2.073 -19.187 -2.435 1.00 62.22 H new ATOM 0 HZ2 LYS A 16 -2.186 -17.573 -2.950 1.00 62.22 H new ATOM 0 HZ3 LYS A 16 -1.005 -18.596 -3.615 1.00 62.22 H new ATOM 276 N LYS A 17 0.592 -14.228 2.817 1.00 32.20 N ATOM 277 CA LYS A 17 0.350 -14.102 4.268 1.00 30.51 C ATOM 278 C LYS A 17 -0.432 -12.814 4.603 1.00 53.41 C ATOM 279 O LYS A 17 -1.331 -12.836 5.454 1.00 11.21 O ATOM 280 CB LYS A 17 1.714 -14.141 5.003 1.00 50.43 C ATOM 281 CG LYS A 17 2.504 -15.453 4.768 1.00 11.22 C ATOM 282 CD LYS A 17 3.949 -15.414 5.319 1.00 23.15 C ATOM 283 CE LYS A 17 4.012 -15.323 6.849 1.00 42.33 C ATOM 284 NZ LYS A 17 5.410 -15.255 7.344 1.00 10.40 N ATOM 0 H LYS A 17 1.576 -14.134 2.565 1.00 32.20 H new ATOM 0 HA LYS A 17 -0.268 -14.935 4.603 1.00 30.51 H new ATOM 0 HB2 LYS A 17 2.320 -13.297 4.673 1.00 50.43 H new ATOM 0 HB3 LYS A 17 1.546 -14.014 6.072 1.00 50.43 H new ATOM 0 HG2 LYS A 17 1.968 -16.279 5.236 1.00 11.22 H new ATOM 0 HG3 LYS A 17 2.538 -15.660 3.698 1.00 11.22 H new ATOM 0 HD2 LYS A 17 4.479 -16.309 4.993 1.00 23.15 H new ATOM 0 HD3 LYS A 17 4.472 -14.559 4.889 1.00 23.15 H new ATOM 0 HE2 LYS A 17 3.466 -14.441 7.183 1.00 42.33 H new ATOM 0 HE3 LYS A 17 3.515 -16.190 7.285 1.00 42.33 H new ATOM 0 HZ1 LYS A 17 5.410 -15.246 8.384 1.00 10.40 H new ATOM 0 HZ2 LYS A 17 5.939 -16.084 7.005 1.00 10.40 H new ATOM 0 HZ3 LYS A 17 5.862 -14.388 6.990 1.00 10.40 H new ATOM 298 N ILE A 18 -0.086 -11.707 3.899 1.00 33.52 N ATOM 299 CA ILE A 18 -0.780 -10.409 4.031 1.00 21.04 C ATOM 300 C ILE A 18 -2.245 -10.588 3.634 1.00 62.44 C ATOM 301 O ILE A 18 -3.131 -10.266 4.419 1.00 15.33 O ATOM 302 CB ILE A 18 -0.119 -9.265 3.152 1.00 64.31 C ATOM 303 CG1 ILE A 18 1.343 -8.983 3.616 1.00 35.13 C ATOM 304 CG2 ILE A 18 -0.958 -7.954 3.173 1.00 22.11 C ATOM 305 CD1 ILE A 18 2.095 -7.955 2.782 1.00 75.54 C ATOM 0 H ILE A 18 0.681 -11.693 3.226 1.00 33.52 H new ATOM 0 HA ILE A 18 -0.697 -10.093 5.071 1.00 21.04 H new ATOM 0 HB ILE A 18 -0.097 -9.624 2.123 1.00 64.31 H new ATOM 0 HG12 ILE A 18 1.321 -8.643 4.651 1.00 35.13 H new ATOM 0 HG13 ILE A 18 1.900 -9.920 3.600 1.00 35.13 H new ATOM 0 HG21 ILE A 18 -0.468 -7.199 2.558 1.00 22.11 H new ATOM 0 HG22 ILE A 18 -1.954 -8.153 2.778 1.00 22.11 H new ATOM 0 HG23 ILE A 18 -1.040 -7.591 4.197 1.00 22.11 H new ATOM 0 HD11 ILE A 18 3.101 -7.827 3.182 1.00 75.54 H new ATOM 0 HD12 ILE A 18 2.156 -8.299 1.749 1.00 75.54 H new ATOM 0 HD13 ILE A 18 1.567 -7.002 2.817 1.00 75.54 H new ATOM 317 N LYS A 19 -2.461 -11.180 2.427 1.00 60.54 N ATOM 318 CA LYS A 19 -3.806 -11.426 1.870 1.00 31.52 C ATOM 319 C LYS A 19 -4.703 -12.128 2.900 1.00 1.23 C ATOM 320 O LYS A 19 -5.777 -11.628 3.209 1.00 62.24 O ATOM 321 CB LYS A 19 -3.753 -12.267 0.555 1.00 43.35 C ATOM 322 CG LYS A 19 -3.088 -11.551 -0.643 1.00 22.22 C ATOM 323 CD LYS A 19 -3.256 -12.325 -1.975 1.00 14.50 C ATOM 324 CE LYS A 19 -2.745 -11.535 -3.192 1.00 74.01 C ATOM 325 NZ LYS A 19 -2.991 -12.250 -4.478 1.00 64.15 N ATOM 0 H LYS A 19 -1.705 -11.497 1.820 1.00 60.54 H new ATOM 0 HA LYS A 19 -4.230 -10.452 1.628 1.00 31.52 H new ATOM 0 HB2 LYS A 19 -3.213 -13.193 0.753 1.00 43.35 H new ATOM 0 HB3 LYS A 19 -4.769 -12.545 0.276 1.00 43.35 H new ATOM 0 HG2 LYS A 19 -3.519 -10.555 -0.750 1.00 22.22 H new ATOM 0 HG3 LYS A 19 -2.026 -11.418 -0.437 1.00 22.22 H new ATOM 0 HD2 LYS A 19 -2.719 -13.271 -1.910 1.00 14.50 H new ATOM 0 HD3 LYS A 19 -4.309 -12.566 -2.120 1.00 14.50 H new ATOM 0 HE2 LYS A 19 -3.234 -10.561 -3.221 1.00 74.01 H new ATOM 0 HE3 LYS A 19 -1.676 -11.351 -3.080 1.00 74.01 H new ATOM 0 HZ1 LYS A 19 -3.205 -11.558 -5.224 1.00 64.15 H new ATOM 0 HZ2 LYS A 19 -2.144 -12.792 -4.741 1.00 64.15 H new ATOM 0 HZ3 LYS A 19 -3.796 -12.899 -4.366 1.00 64.15 H new ATOM 339 N LYS A 20 -4.185 -13.236 3.474 1.00 53.05 N ATOM 340 CA LYS A 20 -4.900 -14.050 4.478 1.00 3.33 C ATOM 341 C LYS A 20 -5.365 -13.198 5.670 1.00 71.02 C ATOM 342 O LYS A 20 -6.559 -13.176 5.984 1.00 33.21 O ATOM 343 CB LYS A 20 -3.985 -15.213 4.970 1.00 2.52 C ATOM 344 CG LYS A 20 -3.616 -16.294 3.910 1.00 24.25 C ATOM 345 CD LYS A 20 -4.643 -17.456 3.789 1.00 64.11 C ATOM 346 CE LYS A 20 -6.007 -17.049 3.203 1.00 73.31 C ATOM 347 NZ LYS A 20 -5.872 -16.444 1.856 1.00 51.51 N ATOM 0 H LYS A 20 -3.255 -13.591 3.252 1.00 53.05 H new ATOM 0 HA LYS A 20 -5.788 -14.466 4.003 1.00 3.33 H new ATOM 0 HB2 LYS A 20 -3.061 -14.782 5.356 1.00 2.52 H new ATOM 0 HB3 LYS A 20 -4.479 -15.708 5.806 1.00 2.52 H new ATOM 0 HG2 LYS A 20 -3.516 -15.812 2.938 1.00 24.25 H new ATOM 0 HG3 LYS A 20 -2.641 -16.712 4.160 1.00 24.25 H new ATOM 0 HD2 LYS A 20 -4.213 -18.239 3.164 1.00 64.11 H new ATOM 0 HD3 LYS A 20 -4.801 -17.887 4.777 1.00 64.11 H new ATOM 0 HE2 LYS A 20 -6.653 -17.925 3.144 1.00 73.31 H new ATOM 0 HE3 LYS A 20 -6.493 -16.339 3.873 1.00 73.31 H new ATOM 0 HZ1 LYS A 20 -6.186 -15.453 1.887 1.00 51.51 H new ATOM 0 HZ2 LYS A 20 -4.877 -16.483 1.556 1.00 51.51 H new ATOM 0 HZ3 LYS A 20 -6.458 -16.971 1.178 1.00 51.51 H new ATOM 361 N GLU A 21 -4.404 -12.482 6.303 1.00 64.34 N ATOM 362 CA GLU A 21 -4.671 -11.604 7.467 1.00 62.14 C ATOM 363 C GLU A 21 -5.798 -10.594 7.159 1.00 53.51 C ATOM 364 O GLU A 21 -6.793 -10.504 7.881 1.00 54.53 O ATOM 365 CB GLU A 21 -3.369 -10.847 7.859 1.00 0.34 C ATOM 366 CG GLU A 21 -2.230 -11.739 8.400 1.00 31.23 C ATOM 367 CD GLU A 21 -2.560 -12.403 9.750 1.00 53.53 C ATOM 368 OE1 GLU A 21 -2.449 -11.719 10.794 1.00 24.10 O ATOM 369 OE2 GLU A 21 -2.932 -13.600 9.780 1.00 4.10 O ATOM 0 H GLU A 21 -3.424 -12.497 6.021 1.00 64.34 H new ATOM 0 HA GLU A 21 -4.997 -12.227 8.300 1.00 62.14 H new ATOM 0 HB2 GLU A 21 -3.003 -10.308 6.985 1.00 0.34 H new ATOM 0 HB3 GLU A 21 -3.615 -10.100 8.614 1.00 0.34 H new ATOM 0 HG2 GLU A 21 -2.007 -12.515 7.667 1.00 31.23 H new ATOM 0 HG3 GLU A 21 -1.328 -11.136 8.511 1.00 31.23 H new ATOM 376 N VAL A 22 -5.636 -9.925 6.017 1.00 73.31 N ATOM 377 CA VAL A 22 -6.471 -8.800 5.559 1.00 41.31 C ATOM 378 C VAL A 22 -7.908 -9.241 5.174 1.00 1.41 C ATOM 379 O VAL A 22 -8.878 -8.470 5.342 1.00 53.31 O ATOM 380 CB VAL A 22 -5.743 -8.120 4.347 1.00 72.44 C ATOM 381 CG1 VAL A 22 -6.583 -7.030 3.685 1.00 10.41 C ATOM 382 CG2 VAL A 22 -4.391 -7.543 4.801 1.00 31.30 C ATOM 0 H VAL A 22 -4.894 -10.156 5.357 1.00 73.31 H new ATOM 0 HA VAL A 22 -6.592 -8.091 6.378 1.00 41.31 H new ATOM 0 HB VAL A 22 -5.583 -8.895 3.597 1.00 72.44 H new ATOM 0 HG11 VAL A 22 -6.027 -6.597 2.854 1.00 10.41 H new ATOM 0 HG12 VAL A 22 -7.512 -7.462 3.314 1.00 10.41 H new ATOM 0 HG13 VAL A 22 -6.810 -6.252 4.414 1.00 10.41 H new ATOM 0 HG21 VAL A 22 -3.893 -7.073 3.953 1.00 31.30 H new ATOM 0 HG22 VAL A 22 -4.556 -6.801 5.582 1.00 31.30 H new ATOM 0 HG23 VAL A 22 -3.765 -8.346 5.190 1.00 31.30 H new ATOM 392 N GLU A 23 -8.019 -10.479 4.660 1.00 5.02 N ATOM 393 CA GLU A 23 -9.311 -11.114 4.318 1.00 33.53 C ATOM 394 C GLU A 23 -10.144 -11.409 5.582 1.00 21.52 C ATOM 395 O GLU A 23 -11.378 -11.326 5.546 1.00 72.22 O ATOM 396 CB GLU A 23 -9.068 -12.405 3.482 1.00 43.23 C ATOM 397 CG GLU A 23 -8.572 -12.131 2.041 1.00 63.41 C ATOM 398 CD GLU A 23 -8.284 -13.415 1.244 1.00 0.34 C ATOM 399 OE1 GLU A 23 -7.200 -14.008 1.433 1.00 31.03 O ATOM 400 OE2 GLU A 23 -9.149 -13.848 0.447 1.00 64.21 O ATOM 0 H GLU A 23 -7.212 -11.073 4.468 1.00 5.02 H new ATOM 0 HA GLU A 23 -9.888 -10.416 3.712 1.00 33.53 H new ATOM 0 HB2 GLU A 23 -8.336 -13.027 3.996 1.00 43.23 H new ATOM 0 HB3 GLU A 23 -9.995 -12.976 3.435 1.00 43.23 H new ATOM 0 HG2 GLU A 23 -9.322 -11.543 1.511 1.00 63.41 H new ATOM 0 HG3 GLU A 23 -7.666 -11.527 2.084 1.00 63.41 H new ATOM 407 N ASN A 24 -9.458 -11.719 6.707 1.00 24.31 N ATOM 408 CA ASN A 24 -10.120 -11.892 8.027 1.00 15.42 C ATOM 409 C ASN A 24 -10.454 -10.525 8.665 1.00 35.11 C ATOM 410 O ASN A 24 -11.291 -10.445 9.574 1.00 43.32 O ATOM 411 CB ASN A 24 -9.251 -12.743 9.000 1.00 10.44 C ATOM 412 CG ASN A 24 -9.135 -14.208 8.566 1.00 2.20 C ATOM 413 OD1 ASN A 24 -10.000 -15.029 8.875 1.00 14.21 O ATOM 414 ND2 ASN A 24 -8.067 -14.557 7.877 1.00 60.23 N ATOM 0 H ASN A 24 -8.447 -11.855 6.730 1.00 24.31 H new ATOM 0 HA ASN A 24 -11.051 -12.430 7.850 1.00 15.42 H new ATOM 0 HB2 ASN A 24 -8.254 -12.308 9.064 1.00 10.44 H new ATOM 0 HB3 ASN A 24 -9.683 -12.698 10.000 1.00 10.44 H new ATOM 0 HD21 ASN A 24 -7.942 -15.527 7.587 1.00 60.23 H new ATOM 0 HD22 ASN A 24 -7.366 -13.857 7.634 1.00 60.23 H new ATOM 421 N GLN A 25 -9.793 -9.453 8.181 1.00 2.55 N ATOM 422 CA GLN A 25 -10.066 -8.064 8.623 1.00 3.43 C ATOM 423 C GLN A 25 -11.117 -7.392 7.716 1.00 62.35 C ATOM 424 O GLN A 25 -11.554 -6.268 7.989 1.00 12.31 O ATOM 425 CB GLN A 25 -8.757 -7.230 8.647 1.00 73.03 C ATOM 426 CG GLN A 25 -7.582 -7.848 9.448 1.00 30.02 C ATOM 427 CD GLN A 25 -7.824 -8.073 10.953 1.00 71.04 C ATOM 428 OE1 GLN A 25 -8.937 -8.312 11.417 1.00 62.13 O ATOM 429 NE2 GLN A 25 -6.754 -8.020 11.730 1.00 51.34 N ATOM 0 H GLN A 25 -9.058 -9.522 7.477 1.00 2.55 H new ATOM 0 HA GLN A 25 -10.468 -8.106 9.635 1.00 3.43 H new ATOM 0 HB2 GLN A 25 -8.429 -7.072 7.619 1.00 73.03 H new ATOM 0 HB3 GLN A 25 -8.981 -6.248 9.064 1.00 73.03 H new ATOM 0 HG2 GLN A 25 -7.327 -8.806 8.996 1.00 30.02 H new ATOM 0 HG3 GLN A 25 -6.713 -7.200 9.335 1.00 30.02 H new ATOM 0 HE21 GLN A 25 -5.839 -7.820 11.325 1.00 51.34 H new ATOM 0 HE22 GLN A 25 -6.844 -8.179 12.734 1.00 51.34 H new ATOM 438 N GLY A 26 -11.490 -8.077 6.616 1.00 44.41 N ATOM 439 CA GLY A 26 -12.597 -7.649 5.754 1.00 41.04 C ATOM 440 C GLY A 26 -12.204 -6.679 4.642 1.00 22.24 C ATOM 441 O GLY A 26 -13.054 -6.334 3.815 1.00 45.33 O ATOM 0 H GLY A 26 -11.033 -8.935 6.307 1.00 44.41 H new ATOM 0 HA2 GLY A 26 -13.050 -8.532 5.303 1.00 41.04 H new ATOM 0 HA3 GLY A 26 -13.361 -7.179 6.374 1.00 41.04 H new ATOM 445 N TYR A 27 -10.923 -6.260 4.590 1.00 41.30 N ATOM 446 CA TYR A 27 -10.461 -5.266 3.591 1.00 4.23 C ATOM 447 C TYR A 27 -10.383 -5.918 2.199 1.00 1.30 C ATOM 448 O TYR A 27 -10.058 -7.110 2.083 1.00 72.03 O ATOM 449 CB TYR A 27 -9.074 -4.690 3.953 1.00 21.30 C ATOM 450 CG TYR A 27 -8.986 -3.708 5.127 1.00 50.44 C ATOM 451 CD1 TYR A 27 -9.722 -3.879 6.307 1.00 23.15 C ATOM 452 CD2 TYR A 27 -8.127 -2.606 5.054 1.00 34.43 C ATOM 453 CE1 TYR A 27 -9.600 -2.984 7.358 1.00 25.55 C ATOM 454 CE2 TYR A 27 -8.002 -1.725 6.098 1.00 41.12 C ATOM 455 CZ TYR A 27 -8.736 -1.915 7.248 1.00 33.40 C ATOM 456 OH TYR A 27 -8.606 -1.025 8.298 1.00 60.34 O ATOM 0 H TYR A 27 -10.193 -6.590 5.221 1.00 41.30 H new ATOM 0 HA TYR A 27 -11.183 -4.449 3.587 1.00 4.23 H new ATOM 0 HB2 TYR A 27 -8.410 -5.528 4.168 1.00 21.30 H new ATOM 0 HB3 TYR A 27 -8.679 -4.189 3.069 1.00 21.30 H new ATOM 0 HD1 TYR A 27 -10.394 -4.720 6.399 1.00 23.15 H new ATOM 0 HD2 TYR A 27 -7.549 -2.445 4.156 1.00 34.43 H new ATOM 0 HE1 TYR A 27 -10.179 -3.123 8.259 1.00 25.55 H new ATOM 0 HE2 TYR A 27 -7.329 -0.884 6.018 1.00 41.12 H new ATOM 0 HH TYR A 27 -8.446 -0.125 7.946 1.00 60.34 H new ATOM 466 N GLN A 28 -10.660 -5.121 1.156 1.00 3.41 N ATOM 467 CA GLN A 28 -10.649 -5.592 -0.233 1.00 55.34 C ATOM 468 C GLN A 28 -9.197 -5.683 -0.701 1.00 62.13 C ATOM 469 O GLN A 28 -8.543 -4.660 -0.876 1.00 60.20 O ATOM 470 CB GLN A 28 -11.447 -4.628 -1.169 1.00 43.13 C ATOM 471 CG GLN A 28 -12.956 -4.484 -0.865 1.00 12.00 C ATOM 472 CD GLN A 28 -13.253 -3.687 0.404 1.00 14.43 C ATOM 473 OE1 GLN A 28 -13.302 -4.373 1.534 1.00 42.03 O flip ATOM 474 NE2 GLN A 28 -13.435 -2.469 0.364 1.00 13.00 N flip ATOM 0 H GLN A 28 -10.897 -4.134 1.254 1.00 3.41 H new ATOM 0 HA GLN A 28 -11.130 -6.569 -0.280 1.00 55.34 H new ATOM 0 HB2 GLN A 28 -10.990 -3.640 -1.115 1.00 43.13 H new ATOM 0 HB3 GLN A 28 -11.335 -4.975 -2.196 1.00 43.13 H new ATOM 0 HG2 GLN A 28 -13.443 -3.999 -1.711 1.00 12.00 H new ATOM 0 HG3 GLN A 28 -13.395 -5.477 -0.771 1.00 12.00 H new ATOM 0 HE21 GLN A 28 -13.389 -1.975 -0.527 1.00 13.00 H new ATOM 0 HE22 GLN A 28 -13.632 -1.954 1.222 1.00 13.00 H new ATOM 483 N VAL A 29 -8.702 -6.905 -0.896 1.00 3.23 N ATOM 484 CA VAL A 29 -7.318 -7.144 -1.314 1.00 23.40 C ATOM 485 C VAL A 29 -7.197 -7.007 -2.838 1.00 10.24 C ATOM 486 O VAL A 29 -7.907 -7.691 -3.580 1.00 60.43 O ATOM 487 CB VAL A 29 -6.823 -8.574 -0.886 1.00 51.50 C ATOM 488 CG1 VAL A 29 -5.325 -8.759 -1.212 1.00 1.31 C ATOM 489 CG2 VAL A 29 -7.104 -8.852 0.608 1.00 33.31 C ATOM 0 H VAL A 29 -9.247 -7.758 -0.769 1.00 3.23 H new ATOM 0 HA VAL A 29 -6.694 -6.399 -0.820 1.00 23.40 H new ATOM 0 HB VAL A 29 -7.390 -9.304 -1.465 1.00 51.50 H new ATOM 0 HG11 VAL A 29 -5.007 -9.756 -0.907 1.00 1.31 H new ATOM 0 HG12 VAL A 29 -5.169 -8.641 -2.284 1.00 1.31 H new ATOM 0 HG13 VAL A 29 -4.741 -8.011 -0.676 1.00 1.31 H new ATOM 0 HG21 VAL A 29 -6.748 -9.849 0.866 1.00 33.31 H new ATOM 0 HG22 VAL A 29 -6.586 -8.113 1.219 1.00 33.31 H new ATOM 0 HG23 VAL A 29 -8.176 -8.790 0.794 1.00 33.31 H new ATOM 499 N ARG A 30 -6.325 -6.097 -3.286 1.00 74.43 N ATOM 500 CA ARG A 30 -5.889 -5.998 -4.690 1.00 44.31 C ATOM 501 C ARG A 30 -4.383 -6.281 -4.761 1.00 61.35 C ATOM 502 O ARG A 30 -3.652 -6.041 -3.790 1.00 61.24 O ATOM 503 CB ARG A 30 -6.160 -4.587 -5.299 1.00 12.35 C ATOM 504 CG ARG A 30 -7.610 -4.284 -5.740 1.00 55.14 C ATOM 505 CD ARG A 30 -8.596 -4.000 -4.586 1.00 23.13 C ATOM 506 NE ARG A 30 -9.613 -3.003 -4.993 1.00 21.35 N ATOM 507 CZ ARG A 30 -10.949 -3.129 -4.881 1.00 61.44 C ATOM 508 NH1 ARG A 30 -11.494 -4.231 -4.368 1.00 43.35 N ATOM 509 NH2 ARG A 30 -11.738 -2.150 -5.295 1.00 11.13 N ATOM 0 H ARG A 30 -5.895 -5.399 -2.679 1.00 74.43 H new ATOM 0 HA ARG A 30 -6.460 -6.726 -5.266 1.00 44.31 H new ATOM 0 HB2 ARG A 30 -5.865 -3.838 -4.564 1.00 12.35 H new ATOM 0 HB3 ARG A 30 -5.509 -4.460 -6.164 1.00 12.35 H new ATOM 0 HG2 ARG A 30 -7.598 -3.423 -6.408 1.00 55.14 H new ATOM 0 HG3 ARG A 30 -7.983 -5.130 -6.317 1.00 55.14 H new ATOM 0 HD2 ARG A 30 -9.088 -4.926 -4.286 1.00 23.13 H new ATOM 0 HD3 ARG A 30 -8.049 -3.634 -3.717 1.00 23.13 H new ATOM 0 HE ARG A 30 -9.267 -2.134 -5.399 1.00 21.35 H new ATOM 0 HH11 ARG A 30 -10.897 -4.996 -4.053 1.00 43.35 H new ATOM 0 HH12 ARG A 30 -12.508 -4.310 -4.290 1.00 43.35 H new ATOM 0 HH21 ARG A 30 -11.333 -1.304 -5.697 1.00 11.13 H new ATOM 0 HH22 ARG A 30 -12.751 -2.241 -5.212 1.00 11.13 H new ATOM 523 N ASP A 31 -3.936 -6.821 -5.903 1.00 0.01 N ATOM 524 CA ASP A 31 -2.522 -6.811 -6.297 1.00 54.53 C ATOM 525 C ASP A 31 -2.435 -6.221 -7.716 1.00 74.12 C ATOM 526 O ASP A 31 -2.967 -6.780 -8.675 1.00 12.12 O ATOM 527 CB ASP A 31 -1.875 -8.235 -6.196 1.00 3.03 C ATOM 528 CG ASP A 31 -2.540 -9.328 -7.064 1.00 41.21 C ATOM 529 OD1 ASP A 31 -3.545 -9.926 -6.624 1.00 64.22 O ATOM 530 OD2 ASP A 31 -2.055 -9.610 -8.183 1.00 31.22 O ATOM 0 H ASP A 31 -4.547 -7.278 -6.580 1.00 0.01 H new ATOM 0 HA ASP A 31 -1.946 -6.191 -5.610 1.00 54.53 H new ATOM 0 HB2 ASP A 31 -0.825 -8.159 -6.478 1.00 3.03 H new ATOM 0 HB3 ASP A 31 -1.903 -8.555 -5.154 1.00 3.03 H new ATOM 535 N VAL A 32 -1.810 -5.040 -7.816 1.00 11.31 N ATOM 536 CA VAL A 32 -1.542 -4.369 -9.087 1.00 1.24 C ATOM 537 C VAL A 32 -0.100 -4.687 -9.506 1.00 61.33 C ATOM 538 O VAL A 32 0.856 -4.394 -8.774 1.00 71.12 O ATOM 539 CB VAL A 32 -1.748 -2.809 -8.973 1.00 55.13 C ATOM 540 CG1 VAL A 32 -1.332 -2.090 -10.277 1.00 10.33 C ATOM 541 CG2 VAL A 32 -3.214 -2.465 -8.600 1.00 52.21 C ATOM 0 H VAL A 32 -1.474 -4.521 -7.005 1.00 11.31 H new ATOM 0 HA VAL A 32 -2.244 -4.731 -9.838 1.00 1.24 H new ATOM 0 HB VAL A 32 -1.101 -2.451 -8.172 1.00 55.13 H new ATOM 0 HG11 VAL A 32 -1.486 -1.017 -10.166 1.00 10.33 H new ATOM 0 HG12 VAL A 32 -0.279 -2.286 -10.481 1.00 10.33 H new ATOM 0 HG13 VAL A 32 -1.937 -2.459 -11.105 1.00 10.33 H new ATOM 0 HG21 VAL A 32 -3.327 -1.383 -8.528 1.00 52.21 H new ATOM 0 HG22 VAL A 32 -3.885 -2.850 -9.368 1.00 52.21 H new ATOM 0 HG23 VAL A 32 -3.462 -2.920 -7.641 1.00 52.21 H new ATOM 551 N ASN A 33 0.032 -5.303 -10.678 1.00 72.23 N ATOM 552 CA ASN A 33 1.329 -5.678 -11.273 1.00 23.32 C ATOM 553 C ASN A 33 1.590 -4.859 -12.547 1.00 12.40 C ATOM 554 O ASN A 33 2.732 -4.758 -12.998 1.00 25.22 O ATOM 555 CB ASN A 33 1.343 -7.199 -11.583 1.00 65.23 C ATOM 556 CG ASN A 33 1.222 -8.059 -10.316 1.00 33.52 C ATOM 557 OD1 ASN A 33 2.224 -8.465 -9.718 1.00 1.31 O ATOM 558 ND2 ASN A 33 -0.006 -8.317 -9.883 1.00 71.24 N ATOM 0 H ASN A 33 -0.767 -5.563 -11.257 1.00 72.23 H new ATOM 0 HA ASN A 33 2.125 -5.459 -10.562 1.00 23.32 H new ATOM 0 HB2 ASN A 33 0.522 -7.436 -12.259 1.00 65.23 H new ATOM 0 HB3 ASN A 33 2.267 -7.452 -12.103 1.00 65.23 H new ATOM 0 HD21 ASN A 33 -0.143 -8.865 -9.034 1.00 71.24 H new ATOM 0 HD22 ASN A 33 -0.813 -7.967 -10.400 1.00 71.24 H new ATOM 565 N ASP A 34 0.521 -4.261 -13.115 1.00 55.41 N ATOM 566 CA ASP A 34 0.595 -3.460 -14.360 1.00 2.04 C ATOM 567 C ASP A 34 -0.207 -2.156 -14.200 1.00 33.42 C ATOM 568 O ASP A 34 -1.179 -2.106 -13.438 1.00 44.10 O ATOM 569 CB ASP A 34 0.077 -4.285 -15.576 1.00 65.43 C ATOM 570 CG ASP A 34 1.036 -5.422 -15.996 1.00 20.52 C ATOM 571 OD1 ASP A 34 1.025 -6.490 -15.366 1.00 3.30 O ATOM 572 OD2 ASP A 34 1.820 -5.247 -16.950 1.00 52.04 O ATOM 0 H ASP A 34 -0.419 -4.319 -12.724 1.00 55.41 H new ATOM 0 HA ASP A 34 1.637 -3.203 -14.549 1.00 2.04 H new ATOM 0 HB2 ASP A 34 -0.895 -4.712 -15.329 1.00 65.43 H new ATOM 0 HB3 ASP A 34 -0.074 -3.615 -16.423 1.00 65.43 H new ATOM 577 N SER A 35 0.184 -1.125 -14.979 1.00 42.20 N ATOM 578 CA SER A 35 -0.343 0.254 -14.864 1.00 52.44 C ATOM 579 C SER A 35 -1.840 0.363 -15.228 1.00 35.01 C ATOM 580 O SER A 35 -2.506 1.316 -14.810 1.00 54.24 O ATOM 581 CB SER A 35 0.497 1.216 -15.744 1.00 14.12 C ATOM 582 OG SER A 35 1.870 1.172 -15.387 1.00 3.12 O ATOM 0 H SER A 35 0.883 -1.227 -15.715 1.00 42.20 H new ATOM 0 HA SER A 35 -0.258 0.540 -13.816 1.00 52.44 H new ATOM 0 HB2 SER A 35 0.383 0.946 -16.794 1.00 14.12 H new ATOM 0 HB3 SER A 35 0.123 2.234 -15.634 1.00 14.12 H new ATOM 0 HG SER A 35 2.376 1.786 -15.958 1.00 3.12 H new ATOM 588 N ASP A 36 -2.369 -0.629 -15.978 1.00 55.45 N ATOM 589 CA ASP A 36 -3.794 -0.647 -16.383 1.00 2.42 C ATOM 590 C ASP A 36 -4.704 -0.833 -15.157 1.00 72.31 C ATOM 591 O ASP A 36 -5.699 -0.128 -15.002 1.00 51.41 O ATOM 592 CB ASP A 36 -4.085 -1.772 -17.416 1.00 3.42 C ATOM 593 CG ASP A 36 -3.438 -1.506 -18.782 1.00 32.54 C ATOM 594 OD1 ASP A 36 -3.959 -0.661 -19.538 1.00 62.23 O ATOM 595 OD2 ASP A 36 -2.412 -2.130 -19.104 1.00 32.11 O ATOM 0 H ASP A 36 -1.832 -1.428 -16.315 1.00 55.45 H new ATOM 0 HA ASP A 36 -4.005 0.314 -16.852 1.00 2.42 H new ATOM 0 HB2 ASP A 36 -3.720 -2.722 -17.025 1.00 3.42 H new ATOM 0 HB3 ASP A 36 -5.163 -1.873 -17.543 1.00 3.42 H new ATOM 600 N GLU A 37 -4.304 -1.767 -14.280 1.00 11.30 N ATOM 601 CA GLU A 37 -5.111 -2.220 -13.128 1.00 4.44 C ATOM 602 C GLU A 37 -5.411 -1.073 -12.142 1.00 24.33 C ATOM 603 O GLU A 37 -6.566 -0.888 -11.732 1.00 65.31 O ATOM 604 CB GLU A 37 -4.374 -3.371 -12.399 1.00 20.21 C ATOM 605 CG GLU A 37 -4.041 -4.585 -13.290 1.00 51.13 C ATOM 606 CD GLU A 37 -3.273 -5.679 -12.531 1.00 14.23 C ATOM 607 OE1 GLU A 37 -3.885 -6.368 -11.682 1.00 41.15 O ATOM 608 OE2 GLU A 37 -2.057 -5.850 -12.776 1.00 30.23 O ATOM 0 H GLU A 37 -3.401 -2.237 -14.349 1.00 11.30 H new ATOM 0 HA GLU A 37 -6.068 -2.575 -13.510 1.00 4.44 H new ATOM 0 HB2 GLU A 37 -3.448 -2.982 -11.977 1.00 20.21 H new ATOM 0 HB3 GLU A 37 -4.989 -3.707 -11.564 1.00 20.21 H new ATOM 0 HG2 GLU A 37 -4.965 -5.004 -13.688 1.00 51.13 H new ATOM 0 HG3 GLU A 37 -3.448 -4.254 -14.143 1.00 51.13 H new ATOM 615 N LEU A 38 -4.362 -0.287 -11.811 1.00 5.15 N ATOM 616 CA LEU A 38 -4.450 0.769 -10.788 1.00 63.43 C ATOM 617 C LEU A 38 -5.392 1.905 -11.224 1.00 74.34 C ATOM 618 O LEU A 38 -6.225 2.354 -10.443 1.00 32.03 O ATOM 619 CB LEU A 38 -3.028 1.309 -10.421 1.00 11.42 C ATOM 620 CG LEU A 38 -2.227 2.152 -11.499 1.00 11.34 C ATOM 621 CD1 LEU A 38 -2.482 3.679 -11.390 1.00 63.21 C ATOM 622 CD2 LEU A 38 -0.719 1.869 -11.428 1.00 11.45 C ATOM 0 H LEU A 38 -3.441 -0.368 -12.243 1.00 5.15 H new ATOM 0 HA LEU A 38 -4.881 0.326 -9.890 1.00 63.43 H new ATOM 0 HB2 LEU A 38 -3.130 1.927 -9.529 1.00 11.42 H new ATOM 0 HB3 LEU A 38 -2.411 0.453 -10.147 1.00 11.42 H new ATOM 0 HG LEU A 38 -2.607 1.826 -12.467 1.00 11.34 H new ATOM 0 HD11 LEU A 38 -1.905 4.200 -12.155 1.00 63.21 H new ATOM 0 HD12 LEU A 38 -3.543 3.882 -11.535 1.00 63.21 H new ATOM 0 HD13 LEU A 38 -2.177 4.029 -10.404 1.00 63.21 H new ATOM 0 HD21 LEU A 38 -0.201 2.464 -12.181 1.00 11.45 H new ATOM 0 HD22 LEU A 38 -0.346 2.132 -10.438 1.00 11.45 H new ATOM 0 HD23 LEU A 38 -0.538 0.810 -11.615 1.00 11.45 H new ATOM 634 N LYS A 39 -5.266 2.334 -12.493 1.00 72.12 N ATOM 635 CA LYS A 39 -5.971 3.526 -13.001 1.00 42.24 C ATOM 636 C LYS A 39 -7.466 3.233 -13.191 1.00 51.42 C ATOM 637 O LYS A 39 -8.296 4.119 -12.993 1.00 14.21 O ATOM 638 CB LYS A 39 -5.310 4.020 -14.309 1.00 71.23 C ATOM 639 CG LYS A 39 -5.445 3.069 -15.523 1.00 24.15 C ATOM 640 CD LYS A 39 -4.433 3.376 -16.651 1.00 61.23 C ATOM 641 CE LYS A 39 -4.429 4.850 -17.092 1.00 52.20 C ATOM 642 NZ LYS A 39 -3.473 5.083 -18.209 1.00 41.23 N ATOM 0 H LYS A 39 -4.680 1.871 -13.188 1.00 72.12 H new ATOM 0 HA LYS A 39 -5.890 4.326 -12.265 1.00 42.24 H new ATOM 0 HB2 LYS A 39 -5.745 4.984 -14.574 1.00 71.23 H new ATOM 0 HB3 LYS A 39 -4.250 4.190 -14.119 1.00 71.23 H new ATOM 0 HG2 LYS A 39 -5.306 2.041 -15.189 1.00 24.15 H new ATOM 0 HG3 LYS A 39 -6.457 3.140 -15.922 1.00 24.15 H new ATOM 0 HD2 LYS A 39 -3.433 3.104 -16.314 1.00 61.23 H new ATOM 0 HD3 LYS A 39 -4.661 2.748 -17.513 1.00 61.23 H new ATOM 0 HE2 LYS A 39 -5.432 5.140 -17.404 1.00 52.20 H new ATOM 0 HE3 LYS A 39 -4.163 5.483 -16.246 1.00 52.20 H new ATOM 0 HZ1 LYS A 39 -3.495 6.086 -18.482 1.00 41.23 H new ATOM 0 HZ2 LYS A 39 -2.512 4.829 -17.902 1.00 41.23 H new ATOM 0 HZ3 LYS A 39 -3.742 4.497 -19.025 1.00 41.23 H new ATOM 656 N LYS A 40 -7.781 1.969 -13.543 1.00 63.41 N ATOM 657 CA LYS A 40 -9.162 1.476 -13.663 1.00 63.01 C ATOM 658 C LYS A 40 -9.896 1.605 -12.319 1.00 30.14 C ATOM 659 O LYS A 40 -10.968 2.210 -12.245 1.00 55.34 O ATOM 660 CB LYS A 40 -9.171 -0.007 -14.132 1.00 21.03 C ATOM 661 CG LYS A 40 -8.754 -0.231 -15.607 1.00 64.33 C ATOM 662 CD LYS A 40 -8.674 -1.734 -15.985 1.00 24.31 C ATOM 663 CE LYS A 40 -10.002 -2.492 -15.772 1.00 61.33 C ATOM 664 NZ LYS A 40 -11.105 -1.952 -16.611 1.00 75.42 N ATOM 0 H LYS A 40 -7.078 1.261 -13.752 1.00 63.41 H new ATOM 0 HA LYS A 40 -9.679 2.083 -14.406 1.00 63.01 H new ATOM 0 HB2 LYS A 40 -8.501 -0.579 -13.490 1.00 21.03 H new ATOM 0 HB3 LYS A 40 -10.173 -0.412 -13.988 1.00 21.03 H new ATOM 0 HG2 LYS A 40 -9.469 0.267 -16.262 1.00 64.33 H new ATOM 0 HG3 LYS A 40 -7.784 0.235 -15.781 1.00 64.33 H new ATOM 0 HD2 LYS A 40 -8.377 -1.823 -17.030 1.00 24.31 H new ATOM 0 HD3 LYS A 40 -7.894 -2.209 -15.391 1.00 24.31 H new ATOM 0 HE2 LYS A 40 -9.856 -3.547 -16.004 1.00 61.33 H new ATOM 0 HE3 LYS A 40 -10.286 -2.433 -14.721 1.00 61.33 H new ATOM 0 HZ1 LYS A 40 -11.974 -2.494 -16.432 1.00 75.42 H new ATOM 0 HZ2 LYS A 40 -11.265 -0.952 -16.373 1.00 75.42 H new ATOM 0 HZ3 LYS A 40 -10.848 -2.032 -17.616 1.00 75.42 H new ATOM 678 N GLU A 41 -9.268 1.070 -11.253 1.00 20.32 N ATOM 679 CA GLU A 41 -9.905 0.993 -9.930 1.00 54.34 C ATOM 680 C GLU A 41 -9.868 2.348 -9.197 1.00 71.44 C ATOM 681 O GLU A 41 -10.741 2.615 -8.380 1.00 14.24 O ATOM 682 CB GLU A 41 -9.279 -0.121 -9.069 1.00 71.22 C ATOM 683 CG GLU A 41 -7.808 0.094 -8.660 1.00 74.11 C ATOM 684 CD GLU A 41 -7.323 -0.981 -7.683 1.00 75.41 C ATOM 685 OE1 GLU A 41 -7.845 -1.012 -6.546 1.00 70.45 O ATOM 686 OE2 GLU A 41 -6.483 -1.831 -8.062 1.00 21.03 O ATOM 0 H GLU A 41 -8.323 0.687 -11.285 1.00 20.32 H new ATOM 0 HA GLU A 41 -10.953 0.740 -10.093 1.00 54.34 H new ATOM 0 HB2 GLU A 41 -9.876 -0.233 -8.164 1.00 71.22 H new ATOM 0 HB3 GLU A 41 -9.351 -1.061 -9.616 1.00 71.22 H new ATOM 0 HG2 GLU A 41 -7.179 0.086 -9.550 1.00 74.11 H new ATOM 0 HG3 GLU A 41 -7.699 1.077 -8.202 1.00 74.11 H new ATOM 693 N MET A 42 -8.863 3.200 -9.503 1.00 75.53 N ATOM 694 CA MET A 42 -8.755 4.559 -8.912 1.00 42.20 C ATOM 695 C MET A 42 -9.879 5.479 -9.423 1.00 4.31 C ATOM 696 O MET A 42 -10.320 6.384 -8.702 1.00 65.35 O ATOM 697 CB MET A 42 -7.356 5.186 -9.179 1.00 20.43 C ATOM 698 CG MET A 42 -6.265 4.649 -8.243 1.00 53.10 C ATOM 699 SD MET A 42 -6.611 5.067 -6.520 1.00 22.32 S ATOM 700 CE MET A 42 -5.621 3.862 -5.640 1.00 54.21 C ATOM 0 H MET A 42 -8.113 2.973 -10.156 1.00 75.53 H new ATOM 0 HA MET A 42 -8.870 4.456 -7.833 1.00 42.20 H new ATOM 0 HB2 MET A 42 -7.068 4.990 -10.212 1.00 20.43 H new ATOM 0 HB3 MET A 42 -7.422 6.268 -9.066 1.00 20.43 H new ATOM 0 HG2 MET A 42 -6.193 3.567 -8.349 1.00 53.10 H new ATOM 0 HG3 MET A 42 -5.299 5.063 -8.533 1.00 53.10 H new ATOM 0 HE1 MET A 42 -6.067 3.668 -4.664 1.00 54.21 H new ATOM 0 HE2 MET A 42 -5.582 2.935 -6.212 1.00 54.21 H new ATOM 0 HE3 MET A 42 -4.611 4.249 -5.507 1.00 54.21 H new ATOM 710 N LYS A 43 -10.310 5.246 -10.675 1.00 44.14 N ATOM 711 CA LYS A 43 -11.526 5.866 -11.235 1.00 72.45 C ATOM 712 C LYS A 43 -12.749 5.418 -10.421 1.00 43.40 C ATOM 713 O LYS A 43 -13.572 6.234 -10.025 1.00 70.23 O ATOM 714 CB LYS A 43 -11.706 5.470 -12.728 1.00 72.11 C ATOM 715 CG LYS A 43 -10.655 6.076 -13.691 1.00 41.24 C ATOM 716 CD LYS A 43 -10.737 5.484 -15.121 1.00 11.00 C ATOM 717 CE LYS A 43 -12.102 5.700 -15.798 1.00 75.51 C ATOM 718 NZ LYS A 43 -12.442 7.144 -15.920 1.00 71.43 N ATOM 0 H LYS A 43 -9.828 4.625 -11.326 1.00 44.14 H new ATOM 0 HA LYS A 43 -11.428 6.950 -11.178 1.00 72.45 H new ATOM 0 HB2 LYS A 43 -11.668 4.384 -12.808 1.00 72.11 H new ATOM 0 HB3 LYS A 43 -12.699 5.780 -13.054 1.00 72.11 H new ATOM 0 HG2 LYS A 43 -10.795 7.156 -13.741 1.00 41.24 H new ATOM 0 HG3 LYS A 43 -9.657 5.903 -13.288 1.00 41.24 H new ATOM 0 HD2 LYS A 43 -9.959 5.935 -15.737 1.00 11.00 H new ATOM 0 HD3 LYS A 43 -10.528 4.415 -15.076 1.00 11.00 H new ATOM 0 HE2 LYS A 43 -12.091 5.245 -16.789 1.00 75.51 H new ATOM 0 HE3 LYS A 43 -12.876 5.193 -15.223 1.00 75.51 H new ATOM 0 HZ1 LYS A 43 -13.345 7.247 -16.426 1.00 71.43 H new ATOM 0 HZ2 LYS A 43 -12.528 7.562 -14.971 1.00 71.43 H new ATOM 0 HZ3 LYS A 43 -11.691 7.634 -16.447 1.00 71.43 H new ATOM 732 N LYS A 44 -12.817 4.099 -10.160 1.00 32.54 N ATOM 733 CA LYS A 44 -13.940 3.474 -9.440 1.00 1.13 C ATOM 734 C LYS A 44 -13.957 3.835 -7.937 1.00 22.41 C ATOM 735 O LYS A 44 -14.998 3.720 -7.297 1.00 12.13 O ATOM 736 CB LYS A 44 -13.916 1.932 -9.622 1.00 54.10 C ATOM 737 CG LYS A 44 -13.867 1.430 -11.090 1.00 30.03 C ATOM 738 CD LYS A 44 -14.913 2.083 -12.021 1.00 40.31 C ATOM 739 CE LYS A 44 -16.369 1.844 -11.582 1.00 23.40 C ATOM 740 NZ LYS A 44 -17.324 2.548 -12.481 1.00 22.14 N ATOM 0 H LYS A 44 -12.094 3.437 -10.443 1.00 32.54 H new ATOM 0 HA LYS A 44 -14.855 3.874 -9.877 1.00 1.13 H new ATOM 0 HB2 LYS A 44 -13.050 1.535 -9.092 1.00 54.10 H new ATOM 0 HB3 LYS A 44 -14.802 1.514 -9.143 1.00 54.10 H new ATOM 0 HG2 LYS A 44 -12.872 1.618 -11.493 1.00 30.03 H new ATOM 0 HG3 LYS A 44 -14.015 0.350 -11.097 1.00 30.03 H new ATOM 0 HD2 LYS A 44 -14.728 3.156 -12.064 1.00 40.31 H new ATOM 0 HD3 LYS A 44 -14.779 1.695 -13.031 1.00 40.31 H new ATOM 0 HE2 LYS A 44 -16.582 0.775 -11.586 1.00 23.40 H new ATOM 0 HE3 LYS A 44 -16.505 2.192 -10.558 1.00 23.40 H new ATOM 0 HZ1 LYS A 44 -18.256 2.601 -12.024 1.00 22.14 H new ATOM 0 HZ2 LYS A 44 -16.977 3.509 -12.672 1.00 22.14 H new ATOM 0 HZ3 LYS A 44 -17.407 2.026 -13.377 1.00 22.14 H new ATOM 754 N LEU A 45 -12.801 4.235 -7.379 1.00 52.45 N ATOM 755 CA LEU A 45 -12.714 4.747 -5.994 1.00 22.22 C ATOM 756 C LEU A 45 -13.246 6.185 -5.940 1.00 51.45 C ATOM 757 O LEU A 45 -13.961 6.560 -5.009 1.00 12.10 O ATOM 758 CB LEU A 45 -11.247 4.687 -5.473 1.00 30.43 C ATOM 759 CG LEU A 45 -10.662 3.256 -5.248 1.00 75.04 C ATOM 760 CD1 LEU A 45 -9.173 3.312 -4.863 1.00 42.51 C ATOM 761 CD2 LEU A 45 -11.479 2.476 -4.198 1.00 21.24 C ATOM 0 H LEU A 45 -11.906 4.214 -7.868 1.00 52.45 H new ATOM 0 HA LEU A 45 -13.325 4.117 -5.348 1.00 22.22 H new ATOM 0 HB2 LEU A 45 -10.608 5.213 -6.183 1.00 30.43 H new ATOM 0 HB3 LEU A 45 -11.194 5.233 -4.531 1.00 30.43 H new ATOM 0 HG LEU A 45 -10.738 2.719 -6.194 1.00 75.04 H new ATOM 0 HD11 LEU A 45 -8.797 2.300 -4.714 1.00 42.51 H new ATOM 0 HD12 LEU A 45 -8.609 3.794 -5.661 1.00 42.51 H new ATOM 0 HD13 LEU A 45 -9.057 3.882 -3.941 1.00 42.51 H new ATOM 0 HD21 LEU A 45 -11.047 1.484 -4.064 1.00 21.24 H new ATOM 0 HD22 LEU A 45 -11.458 3.012 -3.249 1.00 21.24 H new ATOM 0 HD23 LEU A 45 -12.510 2.379 -4.538 1.00 21.24 H new ATOM 773 N ALA A 46 -12.887 6.970 -6.973 1.00 14.02 N ATOM 774 CA ALA A 46 -13.300 8.376 -7.119 1.00 31.51 C ATOM 775 C ALA A 46 -14.826 8.492 -7.314 1.00 53.21 C ATOM 776 O ALA A 46 -15.468 9.400 -6.770 1.00 43.51 O ATOM 777 CB ALA A 46 -12.552 9.008 -8.299 1.00 72.03 C ATOM 0 H ALA A 46 -12.296 6.641 -7.737 1.00 14.02 H new ATOM 0 HA ALA A 46 -13.047 8.912 -6.205 1.00 31.51 H new ATOM 0 HB1 ALA A 46 -12.857 10.049 -8.408 1.00 72.03 H new ATOM 0 HB2 ALA A 46 -11.478 8.962 -8.116 1.00 72.03 H new ATOM 0 HB3 ALA A 46 -12.788 8.463 -9.213 1.00 72.03 H new ATOM 783 N GLU A 47 -15.383 7.553 -8.099 1.00 11.05 N ATOM 784 CA GLU A 47 -16.827 7.467 -8.373 1.00 42.32 C ATOM 785 C GLU A 47 -17.561 6.871 -7.161 1.00 44.44 C ATOM 786 O GLU A 47 -18.479 7.483 -6.602 1.00 44.54 O ATOM 787 CB GLU A 47 -17.071 6.578 -9.621 1.00 23.30 C ATOM 788 CG GLU A 47 -16.486 7.121 -10.939 1.00 53.32 C ATOM 789 CD GLU A 47 -16.598 6.102 -12.085 1.00 31.35 C ATOM 790 OE1 GLU A 47 -17.676 6.001 -12.705 1.00 43.13 O ATOM 791 OE2 GLU A 47 -15.619 5.377 -12.358 1.00 43.25 O ATOM 0 H GLU A 47 -14.839 6.827 -8.565 1.00 11.05 H new ATOM 0 HA GLU A 47 -17.211 8.469 -8.562 1.00 42.32 H new ATOM 0 HB2 GLU A 47 -16.647 5.592 -9.433 1.00 23.30 H new ATOM 0 HB3 GLU A 47 -18.145 6.444 -9.747 1.00 23.30 H new ATOM 0 HG2 GLU A 47 -17.008 8.037 -11.217 1.00 53.32 H new ATOM 0 HG3 GLU A 47 -15.439 7.384 -10.789 1.00 53.32 H new ATOM 798 N GLU A 48 -17.117 5.676 -6.748 1.00 4.35 N ATOM 799 CA GLU A 48 -17.778 4.889 -5.705 1.00 43.10 C ATOM 800 C GLU A 48 -16.967 4.975 -4.410 1.00 13.10 C ATOM 801 O GLU A 48 -15.973 4.259 -4.227 1.00 11.44 O ATOM 802 CB GLU A 48 -17.945 3.411 -6.161 1.00 1.03 C ATOM 803 CG GLU A 48 -18.619 3.227 -7.538 1.00 44.41 C ATOM 804 CD GLU A 48 -20.032 3.830 -7.621 1.00 3.22 C ATOM 805 OE1 GLU A 48 -20.949 3.311 -6.954 1.00 63.01 O ATOM 806 OE2 GLU A 48 -20.235 4.818 -8.363 1.00 55.24 O ATOM 0 H GLU A 48 -16.285 5.228 -7.132 1.00 4.35 H new ATOM 0 HA GLU A 48 -18.773 5.295 -5.524 1.00 43.10 H new ATOM 0 HB2 GLU A 48 -16.962 2.941 -6.189 1.00 1.03 H new ATOM 0 HB3 GLU A 48 -18.531 2.879 -5.412 1.00 1.03 H new ATOM 0 HG2 GLU A 48 -17.993 3.685 -8.303 1.00 44.41 H new ATOM 0 HG3 GLU A 48 -18.674 2.163 -7.766 1.00 44.41 H new ATOM 813 N LYS A 49 -17.363 5.911 -3.551 1.00 12.04 N ATOM 814 CA LYS A 49 -16.872 5.993 -2.182 1.00 73.21 C ATOM 815 C LYS A 49 -17.532 4.866 -1.375 1.00 50.40 C ATOM 816 O LYS A 49 -16.836 3.961 -0.921 1.00 73.35 O ATOM 817 CB LYS A 49 -17.187 7.398 -1.612 1.00 42.12 C ATOM 818 CG LYS A 49 -16.768 7.631 -0.141 1.00 5.23 C ATOM 819 CD LYS A 49 -16.984 9.096 0.296 1.00 35.00 C ATOM 820 CE LYS A 49 -16.169 10.091 -0.556 1.00 20.44 C ATOM 821 NZ LYS A 49 -16.411 11.500 -0.160 1.00 3.34 N ATOM 0 H LYS A 49 -18.038 6.638 -3.789 1.00 12.04 H new ATOM 0 HA LYS A 49 -15.791 5.863 -2.131 1.00 73.21 H new ATOM 0 HB2 LYS A 49 -16.691 8.143 -2.235 1.00 42.12 H new ATOM 0 HB3 LYS A 49 -18.259 7.573 -1.698 1.00 42.12 H new ATOM 0 HG2 LYS A 49 -17.342 6.970 0.509 1.00 5.23 H new ATOM 0 HG3 LYS A 49 -15.718 7.367 -0.017 1.00 5.23 H new ATOM 0 HD2 LYS A 49 -18.043 9.342 0.222 1.00 35.00 H new ATOM 0 HD3 LYS A 49 -16.704 9.205 1.344 1.00 35.00 H new ATOM 0 HE2 LYS A 49 -15.107 9.865 -0.458 1.00 20.44 H new ATOM 0 HE3 LYS A 49 -16.426 9.962 -1.607 1.00 20.44 H new ATOM 0 HZ1 LYS A 49 -15.843 12.132 -0.760 1.00 3.34 H new ATOM 0 HZ2 LYS A 49 -17.419 11.725 -0.278 1.00 3.34 H new ATOM 0 HZ3 LYS A 49 -16.141 11.632 0.836 1.00 3.34 H new ATOM 835 N ASN A 50 -18.882 4.964 -1.256 1.00 21.54 N ATOM 836 CA ASN A 50 -19.825 3.922 -0.746 1.00 51.51 C ATOM 837 C ASN A 50 -19.219 2.891 0.250 1.00 74.50 C ATOM 838 O ASN A 50 -19.361 3.027 1.469 1.00 4.14 O ATOM 839 CB ASN A 50 -20.505 3.209 -1.955 1.00 23.10 C ATOM 840 CG ASN A 50 -21.563 2.170 -1.544 1.00 23.03 C ATOM 841 OD1 ASN A 50 -21.261 0.988 -1.383 1.00 74.30 O ATOM 842 ND2 ASN A 50 -22.804 2.600 -1.363 1.00 62.30 N ATOM 0 H ASN A 50 -19.373 5.816 -1.527 1.00 21.54 H new ATOM 0 HA ASN A 50 -20.562 4.455 -0.145 1.00 51.51 H new ATOM 0 HB2 ASN A 50 -20.974 3.960 -2.592 1.00 23.10 H new ATOM 0 HB3 ASN A 50 -19.738 2.717 -2.554 1.00 23.10 H new ATOM 0 HD21 ASN A 50 -23.535 1.946 -1.084 1.00 62.30 H new ATOM 0 HD22 ASN A 50 -23.028 3.585 -1.503 1.00 62.30 H new ATOM 849 N PHE A 51 -18.515 1.889 -0.312 1.00 12.02 N ATOM 850 CA PHE A 51 -17.965 0.735 0.422 1.00 31.50 C ATOM 851 C PHE A 51 -16.815 1.132 1.373 1.00 55.21 C ATOM 852 O PHE A 51 -16.331 2.273 1.368 1.00 12.15 O ATOM 853 CB PHE A 51 -17.527 -0.385 -0.583 1.00 0.41 C ATOM 854 CG PHE A 51 -16.562 0.063 -1.690 1.00 43.01 C ATOM 855 CD1 PHE A 51 -17.042 0.713 -2.833 1.00 15.22 C ATOM 856 CD2 PHE A 51 -15.191 -0.165 -1.603 1.00 41.05 C ATOM 857 CE1 PHE A 51 -16.187 1.122 -3.833 1.00 15.32 C ATOM 858 CE2 PHE A 51 -14.340 0.247 -2.613 1.00 2.04 C ATOM 859 CZ PHE A 51 -14.836 0.890 -3.725 1.00 4.03 C ATOM 0 H PHE A 51 -18.309 1.860 -1.311 1.00 12.02 H new ATOM 0 HA PHE A 51 -18.757 0.339 1.058 1.00 31.50 H new ATOM 0 HB2 PHE A 51 -17.057 -1.191 -0.020 1.00 0.41 H new ATOM 0 HB3 PHE A 51 -18.420 -0.800 -1.050 1.00 0.41 H new ATOM 0 HD1 PHE A 51 -18.101 0.897 -2.933 1.00 15.22 H new ATOM 0 HD2 PHE A 51 -14.787 -0.669 -0.737 1.00 41.05 H new ATOM 0 HE1 PHE A 51 -16.579 1.626 -4.704 1.00 15.32 H new ATOM 0 HE2 PHE A 51 -13.279 0.063 -2.529 1.00 2.04 H new ATOM 0 HZ PHE A 51 -14.166 1.211 -4.509 1.00 4.03 H new ATOM 869 N GLU A 52 -16.389 0.147 2.170 1.00 24.35 N ATOM 870 CA GLU A 52 -15.384 0.297 3.239 1.00 31.52 C ATOM 871 C GLU A 52 -13.958 0.569 2.683 1.00 33.24 C ATOM 872 O GLU A 52 -13.785 0.945 1.517 1.00 4.02 O ATOM 873 CB GLU A 52 -15.415 -0.997 4.097 1.00 4.03 C ATOM 874 CG GLU A 52 -15.078 -2.262 3.293 1.00 32.32 C ATOM 875 CD GLU A 52 -15.284 -3.562 4.074 1.00 10.32 C ATOM 876 OE1 GLU A 52 -14.417 -3.908 4.895 1.00 10.42 O ATOM 877 OE2 GLU A 52 -16.313 -4.243 3.865 1.00 23.31 O ATOM 0 H GLU A 52 -16.742 -0.807 2.091 1.00 24.35 H new ATOM 0 HA GLU A 52 -15.631 1.168 3.846 1.00 31.52 H new ATOM 0 HB2 GLU A 52 -14.707 -0.897 4.920 1.00 4.03 H new ATOM 0 HB3 GLU A 52 -16.405 -1.108 4.540 1.00 4.03 H new ATOM 0 HG2 GLU A 52 -15.696 -2.286 2.395 1.00 32.32 H new ATOM 0 HG3 GLU A 52 -14.040 -2.207 2.964 1.00 32.32 H new ATOM 884 N LYS A 53 -12.949 0.392 3.550 1.00 25.44 N ATOM 885 CA LYS A 53 -11.531 0.624 3.220 1.00 4.21 C ATOM 886 C LYS A 53 -10.908 -0.561 2.443 1.00 13.44 C ATOM 887 O LYS A 53 -11.326 -1.716 2.590 1.00 61.31 O ATOM 888 CB LYS A 53 -10.709 0.958 4.499 1.00 64.42 C ATOM 889 CG LYS A 53 -11.071 0.169 5.786 1.00 32.31 C ATOM 890 CD LYS A 53 -12.113 0.893 6.677 1.00 61.04 C ATOM 891 CE LYS A 53 -12.308 0.214 8.045 1.00 41.33 C ATOM 892 NZ LYS A 53 -11.080 0.281 8.886 1.00 62.15 N ATOM 0 H LYS A 53 -13.094 0.081 4.510 1.00 25.44 H new ATOM 0 HA LYS A 53 -11.493 1.488 2.557 1.00 4.21 H new ATOM 0 HB2 LYS A 53 -9.655 0.787 4.280 1.00 64.42 H new ATOM 0 HB3 LYS A 53 -10.823 2.022 4.709 1.00 64.42 H new ATOM 0 HG2 LYS A 53 -11.460 -0.810 5.506 1.00 32.31 H new ATOM 0 HG3 LYS A 53 -10.164 -0.002 6.366 1.00 32.31 H new ATOM 0 HD2 LYS A 53 -11.797 1.925 6.831 1.00 61.04 H new ATOM 0 HD3 LYS A 53 -13.069 0.927 6.155 1.00 61.04 H new ATOM 0 HE2 LYS A 53 -13.134 0.692 8.572 1.00 41.33 H new ATOM 0 HE3 LYS A 53 -12.587 -0.829 7.895 1.00 41.33 H new ATOM 0 HZ1 LYS A 53 -11.252 -0.203 9.790 1.00 62.15 H new ATOM 0 HZ2 LYS A 53 -10.293 -0.183 8.389 1.00 62.15 H new ATOM 0 HZ3 LYS A 53 -10.837 1.276 9.067 1.00 62.15 H new ATOM 906 N ILE A 54 -9.879 -0.236 1.625 1.00 5.13 N ATOM 907 CA ILE A 54 -9.299 -1.150 0.619 1.00 72.00 C ATOM 908 C ILE A 54 -7.795 -1.354 0.897 1.00 10.40 C ATOM 909 O ILE A 54 -7.093 -0.422 1.311 1.00 75.11 O ATOM 910 CB ILE A 54 -9.468 -0.599 -0.865 1.00 22.35 C ATOM 911 CG1 ILE A 54 -10.953 -0.256 -1.222 1.00 31.53 C ATOM 912 CG2 ILE A 54 -8.894 -1.586 -1.904 1.00 62.32 C ATOM 913 CD1 ILE A 54 -11.438 1.074 -0.686 1.00 33.23 C ATOM 0 H ILE A 54 -9.426 0.677 1.647 1.00 5.13 H new ATOM 0 HA ILE A 54 -9.839 -2.094 0.700 1.00 72.00 H new ATOM 0 HB ILE A 54 -8.898 0.329 -0.903 1.00 22.35 H new ATOM 0 HG12 ILE A 54 -11.062 -0.257 -2.307 1.00 31.53 H new ATOM 0 HG13 ILE A 54 -11.598 -1.046 -0.836 1.00 31.53 H new ATOM 0 HG21 ILE A 54 -9.027 -1.178 -2.906 1.00 62.32 H new ATOM 0 HG22 ILE A 54 -7.832 -1.739 -1.712 1.00 62.32 H new ATOM 0 HG23 ILE A 54 -9.418 -2.539 -1.829 1.00 62.32 H new ATOM 0 HD11 ILE A 54 -12.476 1.229 -0.981 1.00 33.23 H new ATOM 0 HD12 ILE A 54 -11.366 1.076 0.402 1.00 33.23 H new ATOM 0 HD13 ILE A 54 -10.822 1.876 -1.092 1.00 33.23 H new ATOM 925 N LEU A 55 -7.323 -2.584 0.662 1.00 53.51 N ATOM 926 CA LEU A 55 -5.901 -2.930 0.664 1.00 44.11 C ATOM 927 C LEU A 55 -5.395 -3.020 -0.792 1.00 35.31 C ATOM 928 O LEU A 55 -6.032 -3.653 -1.641 1.00 63.54 O ATOM 929 CB LEU A 55 -5.672 -4.283 1.372 1.00 70.51 C ATOM 930 CG LEU A 55 -4.161 -4.681 1.614 1.00 11.35 C ATOM 931 CD1 LEU A 55 -3.733 -4.430 3.074 1.00 25.41 C ATOM 932 CD2 LEU A 55 -3.864 -6.133 1.190 1.00 41.41 C ATOM 0 H LEU A 55 -7.931 -3.379 0.462 1.00 53.51 H new ATOM 0 HA LEU A 55 -5.352 -2.157 1.202 1.00 44.11 H new ATOM 0 HB2 LEU A 55 -6.181 -4.259 2.335 1.00 70.51 H new ATOM 0 HB3 LEU A 55 -6.145 -5.067 0.780 1.00 70.51 H new ATOM 0 HG LEU A 55 -3.563 -4.031 0.975 1.00 11.35 H new ATOM 0 HD11 LEU A 55 -2.689 -4.716 3.201 1.00 25.41 H new ATOM 0 HD12 LEU A 55 -3.852 -3.373 3.311 1.00 25.41 H new ATOM 0 HD13 LEU A 55 -4.356 -5.024 3.743 1.00 25.41 H new ATOM 0 HD21 LEU A 55 -2.814 -6.359 1.376 1.00 41.41 H new ATOM 0 HD22 LEU A 55 -4.489 -6.815 1.766 1.00 41.41 H new ATOM 0 HD23 LEU A 55 -4.079 -6.253 0.128 1.00 41.41 H new ATOM 944 N ILE A 56 -4.270 -2.368 -1.071 1.00 63.14 N ATOM 945 CA ILE A 56 -3.568 -2.433 -2.368 1.00 23.42 C ATOM 946 C ILE A 56 -2.171 -3.031 -2.124 1.00 65.42 C ATOM 947 O ILE A 56 -1.517 -2.671 -1.151 1.00 14.23 O ATOM 948 CB ILE A 56 -3.415 -0.998 -3.020 1.00 51.10 C ATOM 949 CG1 ILE A 56 -4.786 -0.245 -3.106 1.00 5.32 C ATOM 950 CG2 ILE A 56 -2.742 -1.075 -4.417 1.00 43.33 C ATOM 951 CD1 ILE A 56 -5.828 -0.902 -3.989 1.00 3.45 C ATOM 0 H ILE A 56 -3.804 -1.765 -0.394 1.00 63.14 H new ATOM 0 HA ILE A 56 -4.148 -3.049 -3.054 1.00 23.42 H new ATOM 0 HB ILE A 56 -2.763 -0.423 -2.363 1.00 51.10 H new ATOM 0 HG12 ILE A 56 -5.194 -0.149 -2.100 1.00 5.32 H new ATOM 0 HG13 ILE A 56 -4.605 0.765 -3.474 1.00 5.32 H new ATOM 0 HG21 ILE A 56 -2.654 -0.072 -4.834 1.00 43.33 H new ATOM 0 HG22 ILE A 56 -1.750 -1.516 -4.319 1.00 43.33 H new ATOM 0 HG23 ILE A 56 -3.349 -1.691 -5.080 1.00 43.33 H new ATOM 0 HD11 ILE A 56 -6.740 -0.305 -3.982 1.00 3.45 H new ATOM 0 HD12 ILE A 56 -5.449 -0.973 -5.008 1.00 3.45 H new ATOM 0 HD13 ILE A 56 -6.046 -1.901 -3.613 1.00 3.45 H new ATOM 963 N ILE A 57 -1.738 -3.977 -2.972 1.00 24.51 N ATOM 964 CA ILE A 57 -0.356 -4.514 -2.963 1.00 21.24 C ATOM 965 C ILE A 57 0.259 -4.306 -4.360 1.00 73.11 C ATOM 966 O ILE A 57 -0.458 -4.341 -5.363 1.00 55.14 O ATOM 967 CB ILE A 57 -0.316 -6.052 -2.568 1.00 55.13 C ATOM 968 CG1 ILE A 57 -0.996 -6.287 -1.178 1.00 0.51 C ATOM 969 CG2 ILE A 57 1.136 -6.613 -2.578 1.00 14.51 C ATOM 970 CD1 ILE A 57 -1.034 -7.737 -0.708 1.00 40.22 C ATOM 0 H ILE A 57 -2.333 -4.396 -3.687 1.00 24.51 H new ATOM 0 HA ILE A 57 0.221 -3.979 -2.208 1.00 21.24 H new ATOM 0 HB ILE A 57 -0.881 -6.598 -3.323 1.00 55.13 H new ATOM 0 HG12 ILE A 57 -0.470 -5.694 -0.430 1.00 0.51 H new ATOM 0 HG13 ILE A 57 -2.018 -5.910 -1.224 1.00 0.51 H new ATOM 0 HG21 ILE A 57 1.121 -7.668 -2.303 1.00 14.51 H new ATOM 0 HG22 ILE A 57 1.561 -6.505 -3.576 1.00 14.51 H new ATOM 0 HG23 ILE A 57 1.745 -6.060 -1.863 1.00 14.51 H new ATOM 0 HD11 ILE A 57 -1.525 -7.792 0.264 1.00 40.22 H new ATOM 0 HD12 ILE A 57 -1.588 -8.339 -1.429 1.00 40.22 H new ATOM 0 HD13 ILE A 57 -0.017 -8.119 -0.623 1.00 40.22 H new ATOM 982 N SER A 58 1.572 -4.064 -4.410 1.00 50.21 N ATOM 983 CA SER A 58 2.333 -3.955 -5.659 1.00 74.22 C ATOM 984 C SER A 58 3.799 -4.331 -5.395 1.00 72.42 C ATOM 985 O SER A 58 4.289 -4.238 -4.265 1.00 32.41 O ATOM 986 CB SER A 58 2.229 -2.524 -6.250 1.00 43.10 C ATOM 987 OG SER A 58 2.879 -2.432 -7.509 1.00 45.42 O ATOM 0 H SER A 58 2.144 -3.937 -3.575 1.00 50.21 H new ATOM 0 HA SER A 58 1.913 -4.643 -6.392 1.00 74.22 H new ATOM 0 HB2 SER A 58 1.180 -2.250 -6.360 1.00 43.10 H new ATOM 0 HB3 SER A 58 2.674 -1.810 -5.557 1.00 43.10 H new ATOM 0 HG SER A 58 2.716 -3.251 -8.022 1.00 45.42 H new ATOM 993 N ASN A 59 4.481 -4.777 -6.451 1.00 22.41 N ATOM 994 CA ASN A 59 5.923 -5.095 -6.418 1.00 50.22 C ATOM 995 C ASN A 59 6.750 -3.896 -6.917 1.00 54.33 C ATOM 996 O ASN A 59 7.959 -3.820 -6.676 1.00 31.43 O ATOM 997 CB ASN A 59 6.214 -6.349 -7.290 1.00 11.42 C ATOM 998 CG ASN A 59 5.765 -6.196 -8.757 1.00 22.02 C ATOM 999 OD1 ASN A 59 6.498 -5.667 -9.594 1.00 34.14 O ATOM 1000 ND2 ASN A 59 4.569 -6.670 -9.086 1.00 62.41 N ATOM 0 H ASN A 59 4.052 -4.931 -7.363 1.00 22.41 H new ATOM 0 HA ASN A 59 6.209 -5.308 -5.388 1.00 50.22 H new ATOM 0 HB2 ASN A 59 7.283 -6.558 -7.266 1.00 11.42 H new ATOM 0 HB3 ASN A 59 5.710 -7.211 -6.852 1.00 11.42 H new ATOM 0 HD21 ASN A 59 4.240 -6.600 -10.049 1.00 62.41 H new ATOM 0 HD22 ASN A 59 3.979 -7.104 -8.376 1.00 62.41 H new ATOM 1007 N ASP A 60 6.074 -2.947 -7.587 1.00 42.51 N ATOM 1008 CA ASP A 60 6.718 -1.831 -8.301 1.00 4.33 C ATOM 1009 C ASP A 60 6.376 -0.487 -7.636 1.00 45.32 C ATOM 1010 O ASP A 60 5.210 -0.231 -7.325 1.00 44.13 O ATOM 1011 CB ASP A 60 6.250 -1.848 -9.776 1.00 71.51 C ATOM 1012 CG ASP A 60 6.888 -0.744 -10.636 1.00 63.51 C ATOM 1013 OD1 ASP A 60 8.026 -0.931 -11.118 1.00 11.34 O ATOM 1014 OD2 ASP A 60 6.262 0.311 -10.824 1.00 72.03 O ATOM 0 H ASP A 60 5.056 -2.933 -7.649 1.00 42.51 H new ATOM 0 HA ASP A 60 7.801 -1.949 -8.260 1.00 4.33 H new ATOM 0 HB2 ASP A 60 6.486 -2.819 -10.212 1.00 71.51 H new ATOM 0 HB3 ASP A 60 5.166 -1.740 -9.806 1.00 71.51 H new ATOM 1019 N LYS A 61 7.403 0.373 -7.453 1.00 23.42 N ATOM 1020 CA LYS A 61 7.254 1.672 -6.762 1.00 32.41 C ATOM 1021 C LYS A 61 6.605 2.740 -7.662 1.00 25.24 C ATOM 1022 O LYS A 61 5.954 3.651 -7.151 1.00 41.23 O ATOM 1023 CB LYS A 61 8.603 2.235 -6.231 1.00 51.34 C ATOM 1024 CG LYS A 61 9.328 1.405 -5.144 1.00 14.21 C ATOM 1025 CD LYS A 61 10.223 0.285 -5.720 1.00 72.03 C ATOM 1026 CE LYS A 61 11.188 -0.282 -4.671 1.00 23.03 C ATOM 1027 NZ LYS A 61 12.169 -1.218 -5.271 1.00 44.14 N ATOM 0 H LYS A 61 8.352 0.187 -7.778 1.00 23.42 H new ATOM 0 HA LYS A 61 6.602 1.461 -5.915 1.00 32.41 H new ATOM 0 HB2 LYS A 61 9.280 2.350 -7.078 1.00 51.34 H new ATOM 0 HB3 LYS A 61 8.421 3.232 -5.831 1.00 51.34 H new ATOM 0 HG2 LYS A 61 9.940 2.072 -4.536 1.00 14.21 H new ATOM 0 HG3 LYS A 61 8.585 0.961 -4.481 1.00 14.21 H new ATOM 0 HD2 LYS A 61 9.595 -0.518 -6.105 1.00 72.03 H new ATOM 0 HD3 LYS A 61 10.793 0.675 -6.563 1.00 72.03 H new ATOM 0 HE2 LYS A 61 11.718 0.537 -4.185 1.00 23.03 H new ATOM 0 HE3 LYS A 61 10.620 -0.798 -3.897 1.00 23.03 H new ATOM 0 HZ1 LYS A 61 12.365 -1.991 -4.603 1.00 44.14 H new ATOM 0 HZ2 LYS A 61 11.780 -1.611 -6.152 1.00 44.14 H new ATOM 0 HZ3 LYS A 61 13.052 -0.709 -5.479 1.00 44.14 H new ATOM 1041 N GLN A 62 6.799 2.641 -8.995 1.00 4.52 N ATOM 1042 CA GLN A 62 6.272 3.647 -9.951 1.00 3.45 C ATOM 1043 C GLN A 62 4.731 3.572 -10.006 1.00 11.43 C ATOM 1044 O GLN A 62 4.061 4.585 -10.227 1.00 22.05 O ATOM 1045 CB GLN A 62 6.871 3.460 -11.377 1.00 10.31 C ATOM 1046 CG GLN A 62 8.408 3.363 -11.422 1.00 64.25 C ATOM 1047 CD GLN A 62 8.973 3.292 -12.847 1.00 70.52 C ATOM 1048 OE1 GLN A 62 9.110 2.211 -13.421 1.00 31.12 O ATOM 1049 NE2 GLN A 62 9.323 4.438 -13.423 1.00 21.13 N ATOM 0 H GLN A 62 7.314 1.879 -9.435 1.00 4.52 H new ATOM 0 HA GLN A 62 6.573 4.632 -9.594 1.00 3.45 H new ATOM 0 HB2 GLN A 62 6.450 2.556 -11.817 1.00 10.31 H new ATOM 0 HB3 GLN A 62 6.555 4.295 -12.002 1.00 10.31 H new ATOM 0 HG2 GLN A 62 8.834 4.227 -10.913 1.00 64.25 H new ATOM 0 HG3 GLN A 62 8.725 2.479 -10.869 1.00 64.25 H new ATOM 0 HE21 GLN A 62 9.198 5.319 -12.924 1.00 21.13 H new ATOM 0 HE22 GLN A 62 9.716 4.437 -14.364 1.00 21.13 H new ATOM 1058 N LEU A 63 4.187 2.354 -9.776 1.00 51.43 N ATOM 1059 CA LEU A 63 2.734 2.114 -9.688 1.00 42.04 C ATOM 1060 C LEU A 63 2.177 2.786 -8.421 1.00 14.50 C ATOM 1061 O LEU A 63 1.144 3.483 -8.464 1.00 24.45 O ATOM 1062 CB LEU A 63 2.416 0.584 -9.665 1.00 14.13 C ATOM 1063 CG LEU A 63 2.933 -0.256 -10.875 1.00 41.12 C ATOM 1064 CD1 LEU A 63 2.458 -1.719 -10.794 1.00 61.22 C ATOM 1065 CD2 LEU A 63 2.544 0.382 -12.218 1.00 63.10 C ATOM 0 H LEU A 63 4.747 1.511 -9.647 1.00 51.43 H new ATOM 0 HA LEU A 63 2.259 2.544 -10.570 1.00 42.04 H new ATOM 0 HB2 LEU A 63 2.838 0.162 -8.753 1.00 14.13 H new ATOM 0 HB3 LEU A 63 1.335 0.462 -9.603 1.00 14.13 H new ATOM 0 HG LEU A 63 4.022 -0.260 -10.819 1.00 41.12 H new ATOM 0 HD11 LEU A 63 2.837 -2.273 -11.653 1.00 61.22 H new ATOM 0 HD12 LEU A 63 2.832 -2.173 -9.876 1.00 61.22 H new ATOM 0 HD13 LEU A 63 1.368 -1.748 -10.796 1.00 61.22 H new ATOM 0 HD21 LEU A 63 2.922 -0.232 -13.036 1.00 63.10 H new ATOM 0 HD22 LEU A 63 1.458 0.451 -12.287 1.00 63.10 H new ATOM 0 HD23 LEU A 63 2.976 1.381 -12.285 1.00 63.10 H new ATOM 1077 N LEU A 64 2.904 2.566 -7.297 1.00 10.21 N ATOM 1078 CA LEU A 64 2.570 3.133 -5.981 1.00 45.13 C ATOM 1079 C LEU A 64 2.513 4.656 -6.060 1.00 33.41 C ATOM 1080 O LEU A 64 1.524 5.240 -5.668 1.00 74.50 O ATOM 1081 CB LEU A 64 3.613 2.723 -4.915 1.00 21.53 C ATOM 1082 CG LEU A 64 3.800 1.201 -4.686 1.00 73.11 C ATOM 1083 CD1 LEU A 64 4.978 0.944 -3.741 1.00 74.24 C ATOM 1084 CD2 LEU A 64 2.508 0.541 -4.158 1.00 2.32 C ATOM 0 H LEU A 64 3.743 1.985 -7.286 1.00 10.21 H new ATOM 0 HA LEU A 64 1.595 2.741 -5.691 1.00 45.13 H new ATOM 0 HB2 LEU A 64 4.576 3.147 -5.198 1.00 21.53 H new ATOM 0 HB3 LEU A 64 3.330 3.179 -3.966 1.00 21.53 H new ATOM 0 HG LEU A 64 4.024 0.742 -5.649 1.00 73.11 H new ATOM 0 HD11 LEU A 64 5.096 -0.129 -3.590 1.00 74.24 H new ATOM 0 HD12 LEU A 64 5.890 1.352 -4.177 1.00 74.24 H new ATOM 0 HD13 LEU A 64 4.787 1.426 -2.782 1.00 74.24 H new ATOM 0 HD21 LEU A 64 2.678 -0.525 -4.010 1.00 2.32 H new ATOM 0 HD22 LEU A 64 2.227 0.999 -3.210 1.00 2.32 H new ATOM 0 HD23 LEU A 64 1.705 0.683 -4.881 1.00 2.32 H new ATOM 1096 N LYS A 65 3.579 5.251 -6.637 1.00 33.54 N ATOM 1097 CA LYS A 65 3.758 6.708 -6.763 1.00 12.44 C ATOM 1098 C LYS A 65 2.517 7.363 -7.387 1.00 13.31 C ATOM 1099 O LYS A 65 1.948 8.283 -6.800 1.00 75.41 O ATOM 1100 CB LYS A 65 5.037 7.003 -7.608 1.00 0.41 C ATOM 1101 CG LYS A 65 5.269 8.492 -7.985 1.00 65.53 C ATOM 1102 CD LYS A 65 5.412 9.421 -6.757 1.00 34.13 C ATOM 1103 CE LYS A 65 5.579 10.897 -7.155 1.00 31.24 C ATOM 1104 NZ LYS A 65 5.605 11.794 -5.967 1.00 3.23 N ATOM 0 H LYS A 65 4.353 4.719 -7.035 1.00 33.54 H new ATOM 0 HA LYS A 65 3.885 7.138 -5.770 1.00 12.44 H new ATOM 0 HB2 LYS A 65 5.906 6.649 -7.053 1.00 0.41 H new ATOM 0 HB3 LYS A 65 4.985 6.419 -8.527 1.00 0.41 H new ATOM 0 HG2 LYS A 65 6.168 8.569 -8.596 1.00 65.53 H new ATOM 0 HG3 LYS A 65 4.437 8.838 -8.598 1.00 65.53 H new ATOM 0 HD2 LYS A 65 4.533 9.316 -6.121 1.00 34.13 H new ATOM 0 HD3 LYS A 65 6.272 9.107 -6.166 1.00 34.13 H new ATOM 0 HE2 LYS A 65 6.503 11.018 -7.721 1.00 31.24 H new ATOM 0 HE3 LYS A 65 4.761 11.190 -7.813 1.00 31.24 H new ATOM 0 HZ1 LYS A 65 5.565 12.785 -6.279 1.00 3.23 H new ATOM 0 HZ2 LYS A 65 4.786 11.589 -5.359 1.00 3.23 H new ATOM 0 HZ3 LYS A 65 6.482 11.635 -5.431 1.00 3.23 H new ATOM 1118 N GLU A 66 2.091 6.834 -8.548 1.00 43.02 N ATOM 1119 CA GLU A 66 0.909 7.336 -9.269 1.00 50.34 C ATOM 1120 C GLU A 66 -0.360 7.272 -8.401 1.00 22.14 C ATOM 1121 O GLU A 66 -1.092 8.268 -8.293 1.00 72.10 O ATOM 1122 CB GLU A 66 0.710 6.549 -10.588 1.00 32.13 C ATOM 1123 CG GLU A 66 1.866 6.698 -11.599 1.00 75.12 C ATOM 1124 CD GLU A 66 2.191 8.168 -11.937 1.00 31.44 C ATOM 1125 OE1 GLU A 66 1.394 8.811 -12.654 1.00 32.35 O ATOM 1126 OE2 GLU A 66 3.230 8.690 -11.473 1.00 13.13 O ATOM 0 H GLU A 66 2.554 6.051 -9.010 1.00 43.02 H new ATOM 0 HA GLU A 66 1.086 8.385 -9.507 1.00 50.34 H new ATOM 0 HB2 GLU A 66 0.584 5.492 -10.351 1.00 32.13 H new ATOM 0 HB3 GLU A 66 -0.214 6.882 -11.060 1.00 32.13 H new ATOM 0 HG2 GLU A 66 2.758 6.219 -11.195 1.00 75.12 H new ATOM 0 HG3 GLU A 66 1.608 6.169 -12.517 1.00 75.12 H new ATOM 1133 N MET A 67 -0.589 6.107 -7.759 1.00 15.41 N ATOM 1134 CA MET A 67 -1.771 5.888 -6.904 1.00 1.15 C ATOM 1135 C MET A 67 -1.784 6.861 -5.701 1.00 12.03 C ATOM 1136 O MET A 67 -2.785 7.527 -5.477 1.00 62.32 O ATOM 1137 CB MET A 67 -1.841 4.411 -6.438 1.00 4.24 C ATOM 1138 CG MET A 67 -2.176 3.409 -7.550 1.00 61.50 C ATOM 1139 SD MET A 67 -2.373 1.707 -6.953 1.00 44.04 S ATOM 1140 CE MET A 67 -0.677 1.166 -6.723 1.00 31.44 C ATOM 0 H MET A 67 0.033 5.301 -7.818 1.00 15.41 H new ATOM 0 HA MET A 67 -2.661 6.097 -7.497 1.00 1.15 H new ATOM 0 HB2 MET A 67 -0.883 4.137 -5.996 1.00 4.24 H new ATOM 0 HB3 MET A 67 -2.591 4.326 -5.652 1.00 4.24 H new ATOM 0 HG2 MET A 67 -3.096 3.721 -8.045 1.00 61.50 H new ATOM 0 HG3 MET A 67 -1.386 3.433 -8.301 1.00 61.50 H new ATOM 0 HE1 MET A 67 -0.455 0.358 -7.420 1.00 31.44 H new ATOM 0 HE2 MET A 67 -0.001 2.001 -6.907 1.00 31.44 H new ATOM 0 HE3 MET A 67 -0.544 0.810 -5.701 1.00 31.44 H new ATOM 1150 N LEU A 68 -0.641 6.966 -4.988 1.00 55.01 N ATOM 1151 CA LEU A 68 -0.463 7.837 -3.796 1.00 23.41 C ATOM 1152 C LEU A 68 -0.863 9.292 -4.094 1.00 50.23 C ATOM 1153 O LEU A 68 -1.563 9.932 -3.290 1.00 72.14 O ATOM 1154 CB LEU A 68 1.018 7.792 -3.315 1.00 43.51 C ATOM 1155 CG LEU A 68 1.545 6.419 -2.794 1.00 74.23 C ATOM 1156 CD1 LEU A 68 3.063 6.460 -2.559 1.00 63.33 C ATOM 1157 CD2 LEU A 68 0.802 5.970 -1.524 1.00 54.24 C ATOM 0 H LEU A 68 0.200 6.441 -5.225 1.00 55.01 H new ATOM 0 HA LEU A 68 -1.116 7.458 -3.010 1.00 23.41 H new ATOM 0 HB2 LEU A 68 1.654 8.109 -4.142 1.00 43.51 H new ATOM 0 HB3 LEU A 68 1.140 8.527 -2.519 1.00 43.51 H new ATOM 0 HG LEU A 68 1.344 5.680 -3.569 1.00 74.23 H new ATOM 0 HD11 LEU A 68 3.401 5.489 -2.196 1.00 63.33 H new ATOM 0 HD12 LEU A 68 3.570 6.694 -3.495 1.00 63.33 H new ATOM 0 HD13 LEU A 68 3.296 7.225 -1.819 1.00 63.33 H new ATOM 0 HD21 LEU A 68 1.197 5.010 -1.192 1.00 54.24 H new ATOM 0 HD22 LEU A 68 0.943 6.712 -0.738 1.00 54.24 H new ATOM 0 HD23 LEU A 68 -0.261 5.869 -1.741 1.00 54.24 H new ATOM 1169 N GLU A 69 -0.424 9.790 -5.270 1.00 42.13 N ATOM 1170 CA GLU A 69 -0.709 11.162 -5.711 1.00 61.33 C ATOM 1171 C GLU A 69 -2.213 11.347 -5.985 1.00 73.01 C ATOM 1172 O GLU A 69 -2.785 12.370 -5.603 1.00 40.14 O ATOM 1173 CB GLU A 69 0.121 11.530 -6.967 1.00 3.41 C ATOM 1174 CG GLU A 69 1.651 11.418 -6.794 1.00 12.53 C ATOM 1175 CD GLU A 69 2.201 12.189 -5.583 1.00 30.00 C ATOM 1176 OE1 GLU A 69 2.024 13.426 -5.533 1.00 54.42 O ATOM 1177 OE2 GLU A 69 2.851 11.575 -4.700 1.00 24.32 O ATOM 0 H GLU A 69 0.134 9.252 -5.933 1.00 42.13 H new ATOM 0 HA GLU A 69 -0.420 11.837 -4.905 1.00 61.33 H new ATOM 0 HB2 GLU A 69 -0.185 10.882 -7.789 1.00 3.41 H new ATOM 0 HB3 GLU A 69 -0.123 12.552 -7.259 1.00 3.41 H new ATOM 0 HG2 GLU A 69 1.919 10.366 -6.694 1.00 12.53 H new ATOM 0 HG3 GLU A 69 2.137 11.787 -7.698 1.00 12.53 H new ATOM 1184 N LEU A 70 -2.837 10.336 -6.631 1.00 74.43 N ATOM 1185 CA LEU A 70 -4.287 10.343 -6.936 1.00 33.23 C ATOM 1186 C LEU A 70 -5.134 10.423 -5.640 1.00 73.14 C ATOM 1187 O LEU A 70 -5.962 11.328 -5.496 1.00 15.30 O ATOM 1188 CB LEU A 70 -4.670 9.083 -7.774 1.00 50.40 C ATOM 1189 CG LEU A 70 -4.073 9.022 -9.218 1.00 22.30 C ATOM 1190 CD1 LEU A 70 -4.344 7.656 -9.887 1.00 25.14 C ATOM 1191 CD2 LEU A 70 -4.607 10.185 -10.084 1.00 54.32 C ATOM 0 H LEU A 70 -2.354 9.498 -6.954 1.00 74.43 H new ATOM 0 HA LEU A 70 -4.506 11.233 -7.527 1.00 33.23 H new ATOM 0 HB2 LEU A 70 -4.348 8.195 -7.230 1.00 50.40 H new ATOM 0 HB3 LEU A 70 -5.756 9.035 -7.847 1.00 50.40 H new ATOM 0 HG LEU A 70 -2.992 9.133 -9.134 1.00 22.30 H new ATOM 0 HD11 LEU A 70 -3.915 7.650 -10.889 1.00 25.14 H new ATOM 0 HD12 LEU A 70 -3.889 6.863 -9.293 1.00 25.14 H new ATOM 0 HD13 LEU A 70 -5.419 7.490 -9.952 1.00 25.14 H new ATOM 0 HD21 LEU A 70 -4.178 10.121 -11.084 1.00 54.32 H new ATOM 0 HD22 LEU A 70 -5.693 10.120 -10.151 1.00 54.32 H new ATOM 0 HD23 LEU A 70 -4.328 11.135 -9.629 1.00 54.32 H new ATOM 1203 N ILE A 71 -4.841 9.513 -4.684 1.00 13.31 N ATOM 1204 CA ILE A 71 -5.591 9.364 -3.403 1.00 74.11 C ATOM 1205 C ILE A 71 -5.553 10.673 -2.571 1.00 64.30 C ATOM 1206 O ILE A 71 -6.497 10.979 -1.819 1.00 63.25 O ATOM 1207 CB ILE A 71 -5.011 8.166 -2.546 1.00 74.34 C ATOM 1208 CG1 ILE A 71 -4.944 6.854 -3.386 1.00 75.22 C ATOM 1209 CG2 ILE A 71 -5.838 7.922 -1.258 1.00 43.51 C ATOM 1210 CD1 ILE A 71 -4.096 5.752 -2.769 1.00 0.23 C ATOM 0 H ILE A 71 -4.070 8.851 -4.775 1.00 13.31 H new ATOM 0 HA ILE A 71 -6.629 9.147 -3.657 1.00 74.11 H new ATOM 0 HB ILE A 71 -4.001 8.451 -2.252 1.00 74.34 H new ATOM 0 HG12 ILE A 71 -5.957 6.478 -3.530 1.00 75.22 H new ATOM 0 HG13 ILE A 71 -4.548 7.090 -4.374 1.00 75.22 H new ATOM 0 HG21 ILE A 71 -5.406 7.092 -0.700 1.00 43.51 H new ATOM 0 HG22 ILE A 71 -5.824 8.820 -0.641 1.00 43.51 H new ATOM 0 HG23 ILE A 71 -6.867 7.682 -1.526 1.00 43.51 H new ATOM 0 HD11 ILE A 71 -4.106 4.878 -3.420 1.00 0.23 H new ATOM 0 HD12 ILE A 71 -3.071 6.105 -2.650 1.00 0.23 H new ATOM 0 HD13 ILE A 71 -4.502 5.483 -1.794 1.00 0.23 H new ATOM 1222 N SER A 72 -4.469 11.451 -2.756 1.00 5.33 N ATOM 1223 CA SER A 72 -4.272 12.738 -2.072 1.00 24.34 C ATOM 1224 C SER A 72 -5.401 13.738 -2.428 1.00 3.13 C ATOM 1225 O SER A 72 -6.026 14.312 -1.526 1.00 63.51 O ATOM 1226 CB SER A 72 -2.885 13.319 -2.422 1.00 0.11 C ATOM 1227 OG SER A 72 -2.624 14.529 -1.728 1.00 13.04 O ATOM 0 H SER A 72 -3.706 11.202 -3.385 1.00 5.33 H new ATOM 0 HA SER A 72 -4.314 12.567 -0.996 1.00 24.34 H new ATOM 0 HB2 SER A 72 -2.114 12.588 -2.178 1.00 0.11 H new ATOM 0 HB3 SER A 72 -2.827 13.497 -3.496 1.00 0.11 H new ATOM 0 HG SER A 72 -1.737 14.863 -1.975 1.00 13.04 H new ATOM 1233 N LYS A 73 -5.700 13.915 -3.744 1.00 42.14 N ATOM 1234 CA LYS A 73 -6.794 14.829 -4.179 1.00 15.13 C ATOM 1235 C LYS A 73 -8.153 14.109 -4.195 1.00 21.41 C ATOM 1236 O LYS A 73 -9.191 14.750 -4.409 1.00 23.13 O ATOM 1237 CB LYS A 73 -6.527 15.545 -5.539 1.00 54.22 C ATOM 1238 CG LYS A 73 -6.366 14.654 -6.801 1.00 14.54 C ATOM 1239 CD LYS A 73 -4.929 14.129 -7.008 1.00 3.53 C ATOM 1240 CE LYS A 73 -3.889 15.258 -7.139 1.00 2.11 C ATOM 1241 NZ LYS A 73 -2.517 14.731 -7.354 1.00 12.02 N ATOM 0 H LYS A 73 -5.211 13.448 -4.508 1.00 42.14 H new ATOM 0 HA LYS A 73 -6.821 15.620 -3.429 1.00 15.13 H new ATOM 0 HB2 LYS A 73 -7.348 16.239 -5.720 1.00 54.22 H new ATOM 0 HB3 LYS A 73 -5.622 16.143 -5.432 1.00 54.22 H new ATOM 0 HG2 LYS A 73 -7.046 13.806 -6.726 1.00 14.54 H new ATOM 0 HG3 LYS A 73 -6.665 15.226 -7.680 1.00 14.54 H new ATOM 0 HD2 LYS A 73 -4.658 13.488 -6.169 1.00 3.53 H new ATOM 0 HD3 LYS A 73 -4.900 13.510 -7.905 1.00 3.53 H new ATOM 0 HE2 LYS A 73 -4.162 15.907 -7.971 1.00 2.11 H new ATOM 0 HE3 LYS A 73 -3.904 15.871 -6.238 1.00 2.11 H new ATOM 0 HZ1 LYS A 73 -1.821 15.443 -7.055 1.00 12.02 H new ATOM 0 HZ2 LYS A 73 -2.387 13.864 -6.795 1.00 12.02 H new ATOM 0 HZ3 LYS A 73 -2.382 14.516 -8.363 1.00 12.02 H new ATOM 1255 N LEU A 74 -8.150 12.780 -3.963 1.00 45.32 N ATOM 1256 CA LEU A 74 -9.388 12.016 -3.696 1.00 11.24 C ATOM 1257 C LEU A 74 -9.817 12.234 -2.232 1.00 12.44 C ATOM 1258 O LEU A 74 -10.974 11.993 -1.870 1.00 53.42 O ATOM 1259 CB LEU A 74 -9.189 10.496 -3.979 1.00 5.12 C ATOM 1260 CG LEU A 74 -8.915 10.096 -5.461 1.00 72.10 C ATOM 1261 CD1 LEU A 74 -8.806 8.558 -5.628 1.00 51.43 C ATOM 1262 CD2 LEU A 74 -9.976 10.699 -6.396 1.00 45.24 C ATOM 0 H LEU A 74 -7.303 12.212 -3.955 1.00 45.32 H new ATOM 0 HA LEU A 74 -10.169 12.377 -4.365 1.00 11.24 H new ATOM 0 HB2 LEU A 74 -8.357 10.141 -3.370 1.00 5.12 H new ATOM 0 HB3 LEU A 74 -10.080 9.966 -3.641 1.00 5.12 H new ATOM 0 HG LEU A 74 -7.949 10.512 -5.746 1.00 72.10 H new ATOM 0 HD11 LEU A 74 -8.615 8.318 -6.674 1.00 51.43 H new ATOM 0 HD12 LEU A 74 -7.987 8.182 -5.014 1.00 51.43 H new ATOM 0 HD13 LEU A 74 -9.739 8.091 -5.313 1.00 51.43 H new ATOM 0 HD21 LEU A 74 -9.764 10.406 -7.424 1.00 45.24 H new ATOM 0 HD22 LEU A 74 -10.962 10.333 -6.111 1.00 45.24 H new ATOM 0 HD23 LEU A 74 -9.955 11.786 -6.317 1.00 45.24 H new ATOM 1274 N GLY A 75 -8.847 12.664 -1.397 1.00 14.25 N ATOM 1275 CA GLY A 75 -9.105 13.060 -0.013 1.00 24.12 C ATOM 1276 C GLY A 75 -9.338 11.883 0.916 1.00 34.34 C ATOM 1277 O GLY A 75 -9.949 12.040 1.983 1.00 63.34 O ATOM 0 H GLY A 75 -7.868 12.743 -1.671 1.00 14.25 H new ATOM 0 HA2 GLY A 75 -8.260 13.642 0.354 1.00 24.12 H new ATOM 0 HA3 GLY A 75 -9.977 13.713 0.014 1.00 24.12 H new ATOM 1281 N TYR A 76 -8.872 10.695 0.494 1.00 11.43 N ATOM 1282 CA TYR A 76 -8.914 9.477 1.312 1.00 13.40 C ATOM 1283 C TYR A 76 -7.607 9.345 2.098 1.00 53.32 C ATOM 1284 O TYR A 76 -6.594 9.969 1.747 1.00 61.15 O ATOM 1285 CB TYR A 76 -9.146 8.215 0.436 1.00 54.51 C ATOM 1286 CG TYR A 76 -10.371 8.286 -0.487 1.00 24.03 C ATOM 1287 CD1 TYR A 76 -11.555 8.895 -0.065 1.00 31.21 C ATOM 1288 CD2 TYR A 76 -10.343 7.754 -1.782 1.00 14.12 C ATOM 1289 CE1 TYR A 76 -12.652 8.975 -0.892 1.00 21.05 C ATOM 1290 CE2 TYR A 76 -11.444 7.829 -2.615 1.00 40.30 C ATOM 1291 CZ TYR A 76 -12.600 8.445 -2.162 1.00 74.42 C ATOM 1292 OH TYR A 76 -13.706 8.546 -2.978 1.00 21.31 O ATOM 0 H TYR A 76 -8.455 10.555 -0.426 1.00 11.43 H new ATOM 0 HA TYR A 76 -9.751 9.555 2.006 1.00 13.40 H new ATOM 0 HB2 TYR A 76 -8.259 8.046 -0.174 1.00 54.51 H new ATOM 0 HB3 TYR A 76 -9.252 7.350 1.091 1.00 54.51 H new ATOM 0 HD1 TYR A 76 -11.611 9.311 0.930 1.00 31.21 H new ATOM 0 HD2 TYR A 76 -9.443 7.275 -2.138 1.00 14.12 H new ATOM 0 HE1 TYR A 76 -13.555 9.454 -0.544 1.00 21.05 H new ATOM 0 HE2 TYR A 76 -11.404 7.411 -3.610 1.00 40.30 H new ATOM 0 HH TYR A 76 -13.689 7.826 -3.643 1.00 21.31 H new ATOM 1302 N LYS A 77 -7.646 8.526 3.150 1.00 35.24 N ATOM 1303 CA LYS A 77 -6.503 8.309 4.041 1.00 50.20 C ATOM 1304 C LYS A 77 -5.381 7.573 3.293 1.00 15.43 C ATOM 1305 O LYS A 77 -5.537 6.410 2.920 1.00 14.12 O ATOM 1306 CB LYS A 77 -6.964 7.509 5.274 1.00 13.34 C ATOM 1307 CG LYS A 77 -5.840 7.140 6.266 1.00 33.32 C ATOM 1308 CD LYS A 77 -6.357 6.327 7.461 1.00 73.41 C ATOM 1309 CE LYS A 77 -7.462 7.054 8.252 1.00 61.32 C ATOM 1310 NZ LYS A 77 -6.968 8.289 8.908 1.00 25.23 N ATOM 0 H LYS A 77 -8.475 7.992 3.410 1.00 35.24 H new ATOM 0 HA LYS A 77 -6.109 9.269 4.374 1.00 50.20 H new ATOM 0 HB2 LYS A 77 -7.720 8.089 5.803 1.00 13.34 H new ATOM 0 HB3 LYS A 77 -7.445 6.592 4.935 1.00 13.34 H new ATOM 0 HG2 LYS A 77 -5.073 6.567 5.745 1.00 33.32 H new ATOM 0 HG3 LYS A 77 -5.365 8.052 6.629 1.00 33.32 H new ATOM 0 HD2 LYS A 77 -6.742 5.372 7.104 1.00 73.41 H new ATOM 0 HD3 LYS A 77 -5.525 6.105 8.130 1.00 73.41 H new ATOM 0 HE2 LYS A 77 -8.281 7.306 7.579 1.00 61.32 H new ATOM 0 HE3 LYS A 77 -7.867 6.381 9.008 1.00 61.32 H new ATOM 0 HZ1 LYS A 77 -7.747 8.742 9.427 1.00 25.23 H new ATOM 0 HZ2 LYS A 77 -6.204 8.048 9.571 1.00 25.23 H new ATOM 0 HZ3 LYS A 77 -6.606 8.944 8.186 1.00 25.23 H new ATOM 1324 N VAL A 78 -4.270 8.278 3.053 1.00 40.12 N ATOM 1325 CA VAL A 78 -3.131 7.731 2.308 1.00 44.22 C ATOM 1326 C VAL A 78 -2.144 7.071 3.280 1.00 70.20 C ATOM 1327 O VAL A 78 -1.674 7.713 4.231 1.00 1.04 O ATOM 1328 CB VAL A 78 -2.370 8.824 1.468 1.00 35.14 C ATOM 1329 CG1 VAL A 78 -1.395 8.157 0.467 1.00 70.05 C ATOM 1330 CG2 VAL A 78 -3.349 9.780 0.745 1.00 0.45 C ATOM 0 H VAL A 78 -4.135 9.239 3.368 1.00 40.12 H new ATOM 0 HA VAL A 78 -3.534 6.998 1.609 1.00 44.22 H new ATOM 0 HB VAL A 78 -1.788 9.431 2.162 1.00 35.14 H new ATOM 0 HG11 VAL A 78 -0.878 8.927 -0.105 1.00 70.05 H new ATOM 0 HG12 VAL A 78 -0.665 7.559 1.013 1.00 70.05 H new ATOM 0 HG13 VAL A 78 -1.955 7.515 -0.213 1.00 70.05 H new ATOM 0 HG21 VAL A 78 -2.783 10.519 0.177 1.00 0.45 H new ATOM 0 HG22 VAL A 78 -3.982 9.208 0.067 1.00 0.45 H new ATOM 0 HG23 VAL A 78 -3.972 10.288 1.481 1.00 0.45 H new ATOM 1340 N PHE A 79 -1.849 5.793 3.039 1.00 23.40 N ATOM 1341 CA PHE A 79 -0.861 5.029 3.805 1.00 43.44 C ATOM 1342 C PHE A 79 -0.027 4.211 2.816 1.00 51.25 C ATOM 1343 O PHE A 79 -0.558 3.691 1.828 1.00 23.13 O ATOM 1344 CB PHE A 79 -1.572 4.101 4.830 1.00 3.10 C ATOM 1345 CG PHE A 79 -0.652 3.422 5.859 1.00 51.12 C ATOM 1346 CD1 PHE A 79 0.010 2.225 5.568 1.00 65.45 C ATOM 1347 CD2 PHE A 79 -0.477 3.967 7.132 1.00 21.43 C ATOM 1348 CE1 PHE A 79 0.810 1.604 6.508 1.00 63.52 C ATOM 1349 CE2 PHE A 79 0.326 3.343 8.071 1.00 3.11 C ATOM 1350 CZ PHE A 79 0.966 2.164 7.759 1.00 43.22 C ATOM 0 H PHE A 79 -2.294 5.252 2.298 1.00 23.40 H new ATOM 0 HA PHE A 79 -0.214 5.702 4.367 1.00 43.44 H new ATOM 0 HB2 PHE A 79 -2.318 4.686 5.367 1.00 3.10 H new ATOM 0 HB3 PHE A 79 -2.108 3.327 4.281 1.00 3.10 H new ATOM 0 HD1 PHE A 79 -0.106 1.778 4.592 1.00 65.45 H new ATOM 0 HD2 PHE A 79 -0.976 4.890 7.388 1.00 21.43 H new ATOM 0 HE1 PHE A 79 1.313 0.680 6.263 1.00 63.52 H new ATOM 0 HE2 PHE A 79 0.451 3.781 9.050 1.00 3.11 H new ATOM 0 HZ PHE A 79 1.590 1.678 8.494 1.00 43.22 H new ATOM 1360 N LEU A 80 1.270 4.107 3.092 1.00 24.42 N ATOM 1361 CA LEU A 80 2.198 3.291 2.310 1.00 45.24 C ATOM 1362 C LEU A 80 3.020 2.418 3.275 1.00 13.20 C ATOM 1363 O LEU A 80 3.270 2.788 4.426 1.00 45.32 O ATOM 1364 CB LEU A 80 3.115 4.191 1.430 1.00 65.24 C ATOM 1365 CG LEU A 80 4.123 3.454 0.476 1.00 22.21 C ATOM 1366 CD1 LEU A 80 3.398 2.660 -0.623 1.00 20.24 C ATOM 1367 CD2 LEU A 80 5.136 4.439 -0.132 1.00 31.35 C ATOM 0 H LEU A 80 1.712 4.592 3.873 1.00 24.42 H new ATOM 0 HA LEU A 80 1.642 2.644 1.631 1.00 45.24 H new ATOM 0 HB2 LEU A 80 2.478 4.833 0.821 1.00 65.24 H new ATOM 0 HB3 LEU A 80 3.687 4.843 2.091 1.00 65.24 H new ATOM 0 HG LEU A 80 4.673 2.736 1.085 1.00 22.21 H new ATOM 0 HD11 LEU A 80 4.132 2.166 -1.260 1.00 20.24 H new ATOM 0 HD12 LEU A 80 2.753 1.911 -0.165 1.00 20.24 H new ATOM 0 HD13 LEU A 80 2.794 3.339 -1.225 1.00 20.24 H new ATOM 0 HD21 LEU A 80 5.820 3.899 -0.787 1.00 31.35 H new ATOM 0 HD22 LEU A 80 4.605 5.198 -0.707 1.00 31.35 H new ATOM 0 HD23 LEU A 80 5.702 4.919 0.667 1.00 31.35 H new ATOM 1379 N LEU A 81 3.381 1.246 2.800 1.00 15.32 N ATOM 1380 CA LEU A 81 4.232 0.280 3.487 1.00 64.22 C ATOM 1381 C LEU A 81 5.165 -0.278 2.428 1.00 12.41 C ATOM 1382 O LEU A 81 4.720 -0.567 1.316 1.00 20.32 O ATOM 1383 CB LEU A 81 3.384 -0.855 4.140 1.00 1.31 C ATOM 1384 CG LEU A 81 4.166 -2.125 4.641 1.00 61.11 C ATOM 1385 CD1 LEU A 81 5.290 -1.764 5.639 1.00 5.50 C ATOM 1386 CD2 LEU A 81 3.201 -3.170 5.235 1.00 1.34 C ATOM 0 H LEU A 81 3.079 0.919 1.882 1.00 15.32 H new ATOM 0 HA LEU A 81 4.787 0.749 4.300 1.00 64.22 H new ATOM 0 HB2 LEU A 81 2.845 -0.432 4.987 1.00 1.31 H new ATOM 0 HB3 LEU A 81 2.636 -1.180 3.416 1.00 1.31 H new ATOM 0 HG LEU A 81 4.650 -2.568 3.771 1.00 61.11 H new ATOM 0 HD11 LEU A 81 5.801 -2.673 5.956 1.00 5.50 H new ATOM 0 HD12 LEU A 81 6.004 -1.096 5.157 1.00 5.50 H new ATOM 0 HD13 LEU A 81 4.859 -1.268 6.509 1.00 5.50 H new ATOM 0 HD21 LEU A 81 3.768 -4.037 5.574 1.00 1.34 H new ATOM 0 HD22 LEU A 81 2.667 -2.734 6.079 1.00 1.34 H new ATOM 0 HD23 LEU A 81 2.485 -3.479 4.473 1.00 1.34 H new ATOM 1398 N LEU A 82 6.453 -0.386 2.748 1.00 51.32 N ATOM 1399 CA LEU A 82 7.442 -0.947 1.829 1.00 2.12 C ATOM 1400 C LEU A 82 8.447 -1.835 2.585 1.00 70.05 C ATOM 1401 O LEU A 82 8.892 -1.501 3.694 1.00 24.34 O ATOM 1402 CB LEU A 82 8.104 0.191 0.969 1.00 23.34 C ATOM 1403 CG LEU A 82 8.321 1.603 1.637 1.00 73.41 C ATOM 1404 CD1 LEU A 82 9.351 1.581 2.771 1.00 12.21 C ATOM 1405 CD2 LEU A 82 8.701 2.662 0.585 1.00 5.40 C ATOM 0 H LEU A 82 6.839 -0.090 3.645 1.00 51.32 H new ATOM 0 HA LEU A 82 6.948 -1.607 1.116 1.00 2.12 H new ATOM 0 HB2 LEU A 82 9.076 -0.170 0.631 1.00 23.34 H new ATOM 0 HB3 LEU A 82 7.491 0.335 0.079 1.00 23.34 H new ATOM 0 HG LEU A 82 7.365 1.875 2.085 1.00 73.41 H new ATOM 0 HD11 LEU A 82 9.454 2.583 3.188 1.00 12.21 H new ATOM 0 HD12 LEU A 82 9.019 0.895 3.551 1.00 12.21 H new ATOM 0 HD13 LEU A 82 10.314 1.249 2.382 1.00 12.21 H new ATOM 0 HD21 LEU A 82 8.844 3.626 1.074 1.00 5.40 H new ATOM 0 HD22 LEU A 82 9.625 2.366 0.088 1.00 5.40 H new ATOM 0 HD23 LEU A 82 7.903 2.745 -0.153 1.00 5.40 H new ATOM 1417 N GLN A 83 8.751 -2.993 1.970 1.00 2.12 N ATOM 1418 CA GLN A 83 9.680 -3.986 2.505 1.00 63.30 C ATOM 1419 C GLN A 83 10.431 -4.640 1.351 1.00 1.51 C ATOM 1420 O GLN A 83 9.863 -4.865 0.267 1.00 3.20 O ATOM 1421 CB GLN A 83 8.959 -5.044 3.410 1.00 73.53 C ATOM 1422 CG GLN A 83 8.378 -6.305 2.720 1.00 2.43 C ATOM 1423 CD GLN A 83 9.383 -7.467 2.522 1.00 25.35 C ATOM 1424 OE1 GLN A 83 10.315 -7.650 3.453 1.00 1.30 O flip ATOM 1425 NE2 GLN A 83 9.279 -8.229 1.553 1.00 25.43 N flip ATOM 0 H GLN A 83 8.347 -3.262 1.073 1.00 2.12 H new ATOM 0 HA GLN A 83 10.396 -3.482 3.154 1.00 63.30 H new ATOM 0 HB2 GLN A 83 9.667 -5.374 4.170 1.00 73.53 H new ATOM 0 HB3 GLN A 83 8.144 -4.541 3.930 1.00 73.53 H new ATOM 0 HG2 GLN A 83 7.537 -6.669 3.311 1.00 2.43 H new ATOM 0 HG3 GLN A 83 7.982 -6.017 1.746 1.00 2.43 H new ATOM 0 HE21 GLN A 83 8.556 -8.067 0.852 1.00 25.43 H new ATOM 0 HE22 GLN A 83 9.917 -9.019 1.455 1.00 25.43 H new ATOM 1434 N ASP A 84 11.712 -4.910 1.592 1.00 34.24 N ATOM 1435 CA ASP A 84 12.589 -5.600 0.646 1.00 12.21 C ATOM 1436 C ASP A 84 13.855 -6.055 1.378 1.00 45.33 C ATOM 1437 O ASP A 84 14.168 -5.552 2.469 1.00 15.42 O ATOM 1438 CB ASP A 84 12.935 -4.667 -0.555 1.00 53.32 C ATOM 1439 CG ASP A 84 13.754 -5.337 -1.673 1.00 4.24 C ATOM 1440 OD1 ASP A 84 13.477 -6.512 -2.013 1.00 54.02 O ATOM 1441 OD2 ASP A 84 14.650 -4.682 -2.251 1.00 53.43 O ATOM 0 H ASP A 84 12.178 -4.652 2.462 1.00 34.24 H new ATOM 0 HA ASP A 84 12.080 -6.476 0.244 1.00 12.21 H new ATOM 0 HB2 ASP A 84 12.007 -4.286 -0.981 1.00 53.32 H new ATOM 0 HB3 ASP A 84 13.491 -3.807 -0.181 1.00 53.32 H new ATOM 1446 N GLN A 85 14.565 -7.015 0.773 1.00 53.42 N ATOM 1447 CA GLN A 85 15.874 -7.492 1.258 1.00 23.31 C ATOM 1448 C GLN A 85 16.920 -6.349 1.190 1.00 63.32 C ATOM 1449 O GLN A 85 17.837 -6.283 2.019 1.00 3.13 O ATOM 1450 CB GLN A 85 16.335 -8.739 0.442 1.00 63.54 C ATOM 1451 CG GLN A 85 15.586 -10.062 0.782 1.00 64.23 C ATOM 1452 CD GLN A 85 14.077 -10.043 0.470 1.00 1.12 C ATOM 1453 OE1 GLN A 85 13.249 -9.686 1.312 1.00 32.03 O ATOM 1454 NE2 GLN A 85 13.705 -10.442 -0.734 1.00 74.24 N ATOM 0 H GLN A 85 14.248 -7.489 -0.073 1.00 53.42 H new ATOM 0 HA GLN A 85 15.778 -7.796 2.300 1.00 23.31 H new ATOM 0 HB2 GLN A 85 16.205 -8.528 -0.619 1.00 63.54 H new ATOM 0 HB3 GLN A 85 17.402 -8.890 0.609 1.00 63.54 H new ATOM 0 HG2 GLN A 85 16.048 -10.879 0.227 1.00 64.23 H new ATOM 0 HG3 GLN A 85 15.722 -10.279 1.841 1.00 64.23 H new ATOM 0 HE21 GLN A 85 14.407 -10.733 -1.414 1.00 74.24 H new ATOM 0 HE22 GLN A 85 12.716 -10.459 -0.983 1.00 74.24 H new ATOM 1463 N ASP A 86 16.765 -5.455 0.192 1.00 21.21 N ATOM 1464 CA ASP A 86 17.548 -4.208 0.080 1.00 71.01 C ATOM 1465 C ASP A 86 16.690 -3.030 0.571 1.00 45.53 C ATOM 1466 O ASP A 86 15.692 -2.668 -0.062 1.00 13.44 O ATOM 1467 CB ASP A 86 18.009 -3.968 -1.383 1.00 70.23 C ATOM 1468 CG ASP A 86 18.857 -2.690 -1.539 1.00 71.41 C ATOM 1469 OD1 ASP A 86 20.052 -2.713 -1.169 1.00 2.42 O ATOM 1470 OD2 ASP A 86 18.333 -1.659 -2.005 1.00 3.23 O ATOM 0 H ASP A 86 16.090 -5.579 -0.562 1.00 21.21 H new ATOM 0 HA ASP A 86 18.442 -4.294 0.698 1.00 71.01 H new ATOM 0 HB2 ASP A 86 18.588 -4.827 -1.722 1.00 70.23 H new ATOM 0 HB3 ASP A 86 17.133 -3.899 -2.029 1.00 70.23 H new ATOM 1475 N GLU A 87 17.085 -2.442 1.710 1.00 73.52 N ATOM 1476 CA GLU A 87 16.353 -1.323 2.332 1.00 74.14 C ATOM 1477 C GLU A 87 16.785 0.039 1.725 1.00 4.40 C ATOM 1478 O GLU A 87 16.197 1.085 2.037 1.00 42.03 O ATOM 1479 CB GLU A 87 16.509 -1.367 3.884 1.00 53.21 C ATOM 1480 CG GLU A 87 15.496 -0.482 4.640 1.00 31.22 C ATOM 1481 CD GLU A 87 15.500 -0.644 6.164 1.00 41.32 C ATOM 1482 OE1 GLU A 87 16.422 -0.117 6.825 1.00 64.43 O ATOM 1483 OE2 GLU A 87 14.549 -1.243 6.714 1.00 42.40 O ATOM 0 H GLU A 87 17.918 -2.726 2.226 1.00 73.52 H new ATOM 0 HA GLU A 87 15.291 -1.433 2.111 1.00 74.14 H new ATOM 0 HB2 GLU A 87 16.399 -2.398 4.221 1.00 53.21 H new ATOM 0 HB3 GLU A 87 17.519 -1.052 4.147 1.00 53.21 H new ATOM 0 HG2 GLU A 87 15.700 0.562 4.401 1.00 31.22 H new ATOM 0 HG3 GLU A 87 14.495 -0.704 4.269 1.00 31.22 H new ATOM 1490 N ASN A 88 17.781 0.017 0.810 1.00 1.44 N ATOM 1491 CA ASN A 88 18.241 1.231 0.101 1.00 2.32 C ATOM 1492 C ASN A 88 17.229 1.641 -0.990 1.00 13.24 C ATOM 1493 O ASN A 88 17.143 2.825 -1.347 1.00 73.24 O ATOM 1494 CB ASN A 88 19.660 1.028 -0.494 1.00 24.14 C ATOM 1495 CG ASN A 88 20.778 0.844 0.547 1.00 63.22 C ATOM 1496 OD1 ASN A 88 21.743 0.117 0.307 1.00 11.03 O ATOM 1497 ND2 ASN A 88 20.685 1.513 1.690 1.00 31.53 N ATOM 0 H ASN A 88 18.282 -0.831 0.546 1.00 1.44 H new ATOM 0 HA ASN A 88 18.303 2.044 0.825 1.00 2.32 H new ATOM 0 HB2 ASN A 88 19.643 0.155 -1.146 1.00 24.14 H new ATOM 0 HB3 ASN A 88 19.903 1.888 -1.119 1.00 24.14 H new ATOM 0 HD21 ASN A 88 21.422 1.431 2.391 1.00 31.53 H new ATOM 0 HD22 ASN A 88 19.877 2.109 1.868 1.00 31.53 H new ATOM 1504 N GLU A 89 16.475 0.656 -1.521 1.00 3.33 N ATOM 1505 CA GLU A 89 15.299 0.909 -2.383 1.00 14.10 C ATOM 1506 C GLU A 89 14.211 1.658 -1.601 1.00 11.15 C ATOM 1507 O GLU A 89 13.599 2.617 -2.093 1.00 12.33 O ATOM 1508 CB GLU A 89 14.711 -0.437 -2.902 1.00 60.20 C ATOM 1509 CG GLU A 89 15.581 -1.176 -3.930 1.00 21.23 C ATOM 1510 CD GLU A 89 15.766 -0.389 -5.241 1.00 14.30 C ATOM 1511 OE1 GLU A 89 14.833 -0.384 -6.078 1.00 10.32 O ATOM 1512 OE2 GLU A 89 16.825 0.242 -5.435 1.00 1.44 O ATOM 0 H GLU A 89 16.663 -0.334 -1.366 1.00 3.33 H new ATOM 0 HA GLU A 89 15.623 1.518 -3.227 1.00 14.10 H new ATOM 0 HB2 GLU A 89 14.545 -1.096 -2.049 1.00 60.20 H new ATOM 0 HB3 GLU A 89 13.736 -0.241 -3.348 1.00 60.20 H new ATOM 0 HG2 GLU A 89 16.559 -1.377 -3.492 1.00 21.23 H new ATOM 0 HG3 GLU A 89 15.128 -2.142 -4.154 1.00 21.23 H new ATOM 1519 N LEU A 90 14.010 1.191 -0.366 1.00 43.13 N ATOM 1520 CA LEU A 90 12.898 1.602 0.499 1.00 53.10 C ATOM 1521 C LEU A 90 13.063 3.049 1.011 1.00 70.45 C ATOM 1522 O LEU A 90 12.085 3.797 1.077 1.00 1.03 O ATOM 1523 CB LEU A 90 12.793 0.609 1.684 1.00 14.15 C ATOM 1524 CG LEU A 90 12.710 -0.907 1.307 1.00 42.21 C ATOM 1525 CD1 LEU A 90 12.559 -1.775 2.568 1.00 72.44 C ATOM 1526 CD2 LEU A 90 11.585 -1.188 0.287 1.00 13.02 C ATOM 0 H LEU A 90 14.626 0.504 0.070 1.00 43.13 H new ATOM 0 HA LEU A 90 11.978 1.583 -0.086 1.00 53.10 H new ATOM 0 HB2 LEU A 90 13.658 0.755 2.331 1.00 14.15 H new ATOM 0 HB3 LEU A 90 11.910 0.866 2.269 1.00 14.15 H new ATOM 0 HG LEU A 90 13.648 -1.177 0.822 1.00 42.21 H new ATOM 0 HD11 LEU A 90 12.503 -2.825 2.282 1.00 72.44 H new ATOM 0 HD12 LEU A 90 13.419 -1.622 3.220 1.00 72.44 H new ATOM 0 HD13 LEU A 90 11.648 -1.494 3.096 1.00 72.44 H new ATOM 0 HD21 LEU A 90 11.563 -2.252 0.053 1.00 13.02 H new ATOM 0 HD22 LEU A 90 10.626 -0.890 0.711 1.00 13.02 H new ATOM 0 HD23 LEU A 90 11.770 -0.620 -0.625 1.00 13.02 H new ATOM 1538 N GLU A 91 14.308 3.425 1.355 1.00 55.40 N ATOM 1539 CA GLU A 91 14.618 4.744 1.947 1.00 15.51 C ATOM 1540 C GLU A 91 14.512 5.880 0.907 1.00 64.23 C ATOM 1541 O GLU A 91 13.992 6.954 1.220 1.00 55.32 O ATOM 1542 CB GLU A 91 16.027 4.726 2.599 1.00 50.11 C ATOM 1543 CG GLU A 91 17.179 4.419 1.626 1.00 72.43 C ATOM 1544 CD GLU A 91 18.551 4.318 2.302 1.00 33.04 C ATOM 1545 OE1 GLU A 91 18.776 3.343 3.043 1.00 72.24 O ATOM 1546 OE2 GLU A 91 19.409 5.197 2.086 1.00 60.55 O ATOM 0 H GLU A 91 15.126 2.828 1.232 1.00 55.40 H new ATOM 0 HA GLU A 91 13.875 4.942 2.719 1.00 15.51 H new ATOM 0 HB2 GLU A 91 16.210 5.695 3.064 1.00 50.11 H new ATOM 0 HB3 GLU A 91 16.035 3.983 3.396 1.00 50.11 H new ATOM 0 HG2 GLU A 91 16.968 3.481 1.112 1.00 72.43 H new ATOM 0 HG3 GLU A 91 17.216 5.198 0.865 1.00 72.43 H new ATOM 1553 N GLU A 92 15.003 5.627 -0.327 1.00 12.42 N ATOM 1554 CA GLU A 92 14.985 6.614 -1.427 1.00 24.41 C ATOM 1555 C GLU A 92 13.551 7.002 -1.808 1.00 4.33 C ATOM 1556 O GLU A 92 13.259 8.181 -2.047 1.00 15.45 O ATOM 1557 CB GLU A 92 15.731 6.049 -2.663 1.00 52.10 C ATOM 1558 CG GLU A 92 17.260 5.945 -2.501 1.00 14.02 C ATOM 1559 CD GLU A 92 17.961 7.315 -2.440 1.00 60.44 C ATOM 1560 OE1 GLU A 92 18.321 7.869 -3.499 1.00 20.34 O ATOM 1561 OE2 GLU A 92 18.132 7.865 -1.338 1.00 71.30 O ATOM 0 H GLU A 92 15.422 4.734 -0.587 1.00 12.42 H new ATOM 0 HA GLU A 92 15.494 7.513 -1.079 1.00 24.41 H new ATOM 0 HB2 GLU A 92 15.335 5.059 -2.888 1.00 52.10 H new ATOM 0 HB3 GLU A 92 15.513 6.682 -3.523 1.00 52.10 H new ATOM 0 HG2 GLU A 92 17.485 5.389 -1.591 1.00 14.02 H new ATOM 0 HG3 GLU A 92 17.668 5.372 -3.334 1.00 14.02 H new ATOM 1568 N PHE A 93 12.675 5.985 -1.874 1.00 51.12 N ATOM 1569 CA PHE A 93 11.253 6.184 -2.148 1.00 20.35 C ATOM 1570 C PHE A 93 10.589 6.905 -0.955 1.00 60.43 C ATOM 1571 O PHE A 93 9.985 7.962 -1.140 1.00 42.12 O ATOM 1572 CB PHE A 93 10.561 4.822 -2.464 1.00 60.01 C ATOM 1573 CG PHE A 93 9.167 4.924 -3.106 1.00 23.53 C ATOM 1574 CD1 PHE A 93 8.943 5.758 -4.206 1.00 13.04 C ATOM 1575 CD2 PHE A 93 8.085 4.178 -2.631 1.00 12.24 C ATOM 1576 CE1 PHE A 93 7.692 5.840 -4.800 1.00 13.42 C ATOM 1577 CE2 PHE A 93 6.841 4.263 -3.227 1.00 10.24 C ATOM 1578 CZ PHE A 93 6.642 5.094 -4.308 1.00 31.33 C ATOM 0 H PHE A 93 12.937 5.009 -1.739 1.00 51.12 H new ATOM 0 HA PHE A 93 11.138 6.815 -3.029 1.00 20.35 H new ATOM 0 HB2 PHE A 93 11.208 4.251 -3.130 1.00 60.01 H new ATOM 0 HB3 PHE A 93 10.475 4.254 -1.538 1.00 60.01 H new ATOM 0 HD1 PHE A 93 9.757 6.348 -4.600 1.00 13.04 H new ATOM 0 HD2 PHE A 93 8.223 3.523 -1.783 1.00 12.24 H new ATOM 0 HE1 PHE A 93 7.540 6.489 -5.649 1.00 13.42 H new ATOM 0 HE2 PHE A 93 6.020 3.675 -2.843 1.00 10.24 H new ATOM 0 HZ PHE A 93 5.667 5.161 -4.768 1.00 31.33 H new ATOM 1588 N LYS A 94 10.797 6.371 0.276 1.00 22.23 N ATOM 1589 CA LYS A 94 10.088 6.828 1.495 1.00 60.44 C ATOM 1590 C LYS A 94 10.312 8.323 1.804 1.00 33.15 C ATOM 1591 O LYS A 94 9.341 9.036 2.048 1.00 12.52 O ATOM 1592 CB LYS A 94 10.473 5.984 2.741 1.00 55.10 C ATOM 1593 CG LYS A 94 9.635 6.338 3.994 1.00 52.20 C ATOM 1594 CD LYS A 94 9.926 5.475 5.235 1.00 34.20 C ATOM 1595 CE LYS A 94 11.290 5.774 5.857 1.00 71.52 C ATOM 1596 NZ LYS A 94 11.397 7.179 6.320 1.00 34.20 N ATOM 0 H LYS A 94 11.459 5.614 0.449 1.00 22.23 H new ATOM 0 HA LYS A 94 9.030 6.686 1.276 1.00 60.44 H new ATOM 0 HB2 LYS A 94 10.343 4.926 2.511 1.00 55.10 H new ATOM 0 HB3 LYS A 94 11.530 6.135 2.963 1.00 55.10 H new ATOM 0 HG2 LYS A 94 9.811 7.383 4.247 1.00 52.20 H new ATOM 0 HG3 LYS A 94 8.578 6.244 3.744 1.00 52.20 H new ATOM 0 HD2 LYS A 94 9.148 5.643 5.979 1.00 34.20 H new ATOM 0 HD3 LYS A 94 9.881 4.422 4.958 1.00 34.20 H new ATOM 0 HE2 LYS A 94 11.459 5.102 6.698 1.00 71.52 H new ATOM 0 HE3 LYS A 94 12.073 5.573 5.126 1.00 71.52 H new ATOM 0 HZ1 LYS A 94 12.304 7.315 6.810 1.00 34.20 H new ATOM 0 HZ2 LYS A 94 11.346 7.819 5.502 1.00 34.20 H new ATOM 0 HZ3 LYS A 94 10.616 7.390 6.973 1.00 34.20 H new ATOM 1610 N ARG A 95 11.586 8.785 1.789 1.00 1.12 N ATOM 1611 CA ARG A 95 11.932 10.196 2.112 1.00 35.51 C ATOM 1612 C ARG A 95 11.229 11.197 1.171 1.00 25.52 C ATOM 1613 O ARG A 95 10.971 12.346 1.544 1.00 11.14 O ATOM 1614 CB ARG A 95 13.472 10.422 2.096 1.00 14.03 C ATOM 1615 CG ARG A 95 14.168 10.199 0.728 1.00 35.34 C ATOM 1616 CD ARG A 95 15.686 10.482 0.779 1.00 31.42 C ATOM 1617 NE ARG A 95 16.363 10.188 -0.506 1.00 44.30 N ATOM 1618 CZ ARG A 95 16.962 11.090 -1.304 1.00 41.30 C ATOM 1619 NH1 ARG A 95 16.980 12.385 -0.989 1.00 0.42 N ATOM 1620 NH2 ARG A 95 17.570 10.679 -2.405 1.00 11.03 N ATOM 0 H ARG A 95 12.392 8.204 1.557 1.00 1.12 H new ATOM 0 HA ARG A 95 11.568 10.382 3.122 1.00 35.51 H new ATOM 0 HB2 ARG A 95 13.675 11.441 2.425 1.00 14.03 H new ATOM 0 HB3 ARG A 95 13.927 9.754 2.828 1.00 14.03 H new ATOM 0 HG2 ARG A 95 14.005 9.171 0.405 1.00 35.34 H new ATOM 0 HG3 ARG A 95 13.707 10.845 -0.019 1.00 35.34 H new ATOM 0 HD2 ARG A 95 15.848 11.528 1.040 1.00 31.42 H new ATOM 0 HD3 ARG A 95 16.138 9.882 1.569 1.00 31.42 H new ATOM 0 HE ARG A 95 16.376 9.215 -0.813 1.00 44.30 H new ATOM 0 HH11 ARG A 95 16.534 12.707 -0.130 1.00 0.42 H new ATOM 0 HH12 ARG A 95 17.439 13.054 -1.607 1.00 0.42 H new ATOM 0 HH21 ARG A 95 17.581 9.687 -2.641 1.00 11.03 H new ATOM 0 HH22 ARG A 95 18.027 11.354 -3.017 1.00 11.03 H new ATOM 1634 N LYS A 96 10.919 10.741 -0.045 1.00 4.44 N ATOM 1635 CA LYS A 96 10.198 11.536 -1.040 1.00 21.13 C ATOM 1636 C LYS A 96 8.673 11.464 -0.801 1.00 44.11 C ATOM 1637 O LYS A 96 7.971 12.449 -0.989 1.00 11.33 O ATOM 1638 CB LYS A 96 10.586 11.047 -2.456 1.00 63.02 C ATOM 1639 CG LYS A 96 12.091 11.221 -2.783 1.00 21.20 C ATOM 1640 CD LYS A 96 12.531 12.702 -2.731 1.00 30.10 C ATOM 1641 CE LYS A 96 14.034 12.909 -2.966 1.00 45.12 C ATOM 1642 NZ LYS A 96 14.392 14.351 -2.885 1.00 73.12 N ATOM 0 H LYS A 96 11.163 9.805 -0.368 1.00 4.44 H new ATOM 0 HA LYS A 96 10.480 12.585 -0.947 1.00 21.13 H new ATOM 0 HB2 LYS A 96 10.321 9.994 -2.553 1.00 63.02 H new ATOM 0 HB3 LYS A 96 9.997 11.593 -3.193 1.00 63.02 H new ATOM 0 HG2 LYS A 96 12.684 10.642 -2.075 1.00 21.20 H new ATOM 0 HG3 LYS A 96 12.295 10.818 -3.775 1.00 21.20 H new ATOM 0 HD2 LYS A 96 11.974 13.264 -3.481 1.00 30.10 H new ATOM 0 HD3 LYS A 96 12.264 13.117 -1.759 1.00 30.10 H new ATOM 0 HE2 LYS A 96 14.602 12.347 -2.225 1.00 45.12 H new ATOM 0 HE3 LYS A 96 14.310 12.516 -3.945 1.00 45.12 H new ATOM 0 HZ1 LYS A 96 15.413 14.465 -3.047 1.00 73.12 H new ATOM 0 HZ2 LYS A 96 13.865 14.881 -3.609 1.00 73.12 H new ATOM 0 HZ3 LYS A 96 14.148 14.717 -1.942 1.00 73.12 H new ATOM 1656 N ILE A 97 8.186 10.303 -0.351 1.00 12.10 N ATOM 1657 CA ILE A 97 6.750 10.077 -0.055 1.00 1.00 C ATOM 1658 C ILE A 97 6.297 10.885 1.201 1.00 2.44 C ATOM 1659 O ILE A 97 5.186 11.432 1.238 1.00 64.20 O ATOM 1660 CB ILE A 97 6.483 8.528 0.106 1.00 4.04 C ATOM 1661 CG1 ILE A 97 6.847 7.776 -1.217 1.00 31.45 C ATOM 1662 CG2 ILE A 97 5.035 8.204 0.526 1.00 32.54 C ATOM 1663 CD1 ILE A 97 6.198 8.340 -2.481 1.00 25.40 C ATOM 0 H ILE A 97 8.771 9.485 -0.178 1.00 12.10 H new ATOM 0 HA ILE A 97 6.150 10.443 -0.889 1.00 1.00 H new ATOM 0 HB ILE A 97 7.127 8.181 0.914 1.00 4.04 H new ATOM 0 HG12 ILE A 97 7.930 7.796 -1.343 1.00 31.45 H new ATOM 0 HG13 ILE A 97 6.558 6.730 -1.114 1.00 31.45 H new ATOM 0 HG21 ILE A 97 4.916 7.125 0.620 1.00 32.54 H new ATOM 0 HG22 ILE A 97 4.820 8.677 1.484 1.00 32.54 H new ATOM 0 HG23 ILE A 97 4.344 8.581 -0.228 1.00 32.54 H new ATOM 0 HD11 ILE A 97 6.511 7.752 -3.344 1.00 25.40 H new ATOM 0 HD12 ILE A 97 5.113 8.294 -2.385 1.00 25.40 H new ATOM 0 HD13 ILE A 97 6.506 9.377 -2.617 1.00 25.40 H new ATOM 1675 N GLU A 98 7.189 10.958 2.210 1.00 42.20 N ATOM 1676 CA GLU A 98 7.031 11.815 3.415 1.00 62.32 C ATOM 1677 C GLU A 98 7.061 13.307 3.057 1.00 53.52 C ATOM 1678 O GLU A 98 6.475 14.131 3.772 1.00 23.42 O ATOM 1679 CB GLU A 98 8.162 11.518 4.433 1.00 41.32 C ATOM 1680 CG GLU A 98 8.187 10.079 4.962 1.00 4.11 C ATOM 1681 CD GLU A 98 9.443 9.785 5.788 1.00 71.01 C ATOM 1682 OE1 GLU A 98 10.524 9.631 5.183 1.00 71.13 O ATOM 1683 OE2 GLU A 98 9.366 9.720 7.033 1.00 44.32 O ATOM 0 H GLU A 98 8.054 10.417 2.216 1.00 42.20 H new ATOM 0 HA GLU A 98 6.061 11.583 3.854 1.00 62.32 H new ATOM 0 HB2 GLU A 98 9.121 11.734 3.963 1.00 41.32 H new ATOM 0 HB3 GLU A 98 8.060 12.199 5.278 1.00 41.32 H new ATOM 0 HG2 GLU A 98 7.303 9.904 5.575 1.00 4.11 H new ATOM 0 HG3 GLU A 98 8.136 9.385 4.123 1.00 4.11 H new ATOM 1690 N SER A 99 7.759 13.648 1.960 1.00 53.22 N ATOM 1691 CA SER A 99 7.825 15.024 1.452 1.00 71.40 C ATOM 1692 C SER A 99 6.449 15.468 0.916 1.00 11.22 C ATOM 1693 O SER A 99 6.065 16.628 1.093 1.00 44.34 O ATOM 1694 CB SER A 99 8.924 15.147 0.376 1.00 35.44 C ATOM 1695 OG SER A 99 8.968 16.442 -0.199 1.00 24.30 O ATOM 0 H SER A 99 8.291 12.978 1.404 1.00 53.22 H new ATOM 0 HA SER A 99 8.089 15.692 2.272 1.00 71.40 H new ATOM 0 HB2 SER A 99 9.892 14.915 0.820 1.00 35.44 H new ATOM 0 HB3 SER A 99 8.748 14.409 -0.407 1.00 35.44 H new ATOM 0 HG SER A 99 9.678 16.476 -0.873 1.00 24.30 H new ATOM 1701 N GLN A 100 5.700 14.538 0.279 1.00 70.44 N ATOM 1702 CA GLN A 100 4.282 14.779 -0.076 1.00 65.24 C ATOM 1703 C GLN A 100 3.400 14.759 1.201 1.00 21.45 C ATOM 1704 O GLN A 100 2.329 15.373 1.238 1.00 15.22 O ATOM 1705 CB GLN A 100 3.755 13.730 -1.097 1.00 54.22 C ATOM 1706 CG GLN A 100 4.259 13.873 -2.557 1.00 64.10 C ATOM 1707 CD GLN A 100 5.693 13.411 -2.777 1.00 43.40 C ATOM 1708 OE1 GLN A 100 6.639 14.197 -2.703 1.00 21.03 O ATOM 1709 NE2 GLN A 100 5.866 12.121 -3.055 1.00 51.24 N ATOM 0 H GLN A 100 6.050 13.621 0.002 1.00 70.44 H new ATOM 0 HA GLN A 100 4.224 15.761 -0.545 1.00 65.24 H new ATOM 0 HB2 GLN A 100 4.027 12.737 -0.738 1.00 54.22 H new ATOM 0 HB3 GLN A 100 2.666 13.779 -1.105 1.00 54.22 H new ATOM 0 HG2 GLN A 100 3.602 13.302 -3.213 1.00 64.10 H new ATOM 0 HG3 GLN A 100 4.177 14.918 -2.856 1.00 64.10 H new ATOM 0 HE21 GLN A 100 5.060 11.498 -3.108 1.00 51.24 H new ATOM 0 HE22 GLN A 100 6.805 11.755 -3.215 1.00 51.24 H new ATOM 1718 N GLY A 101 3.873 14.048 2.243 1.00 75.45 N ATOM 1719 CA GLY A 101 3.214 14.012 3.552 1.00 1.33 C ATOM 1720 C GLY A 101 2.281 12.830 3.711 1.00 21.34 C ATOM 1721 O GLY A 101 1.155 12.978 4.194 1.00 3.30 O ATOM 0 H GLY A 101 4.722 13.485 2.195 1.00 75.45 H new ATOM 0 HA2 GLY A 101 3.973 13.977 4.334 1.00 1.33 H new ATOM 0 HA3 GLY A 101 2.651 14.934 3.695 1.00 1.33 H new ATOM 1725 N TYR A 102 2.750 11.645 3.300 1.00 35.42 N ATOM 1726 CA TYR A 102 1.992 10.392 3.444 1.00 35.44 C ATOM 1727 C TYR A 102 2.579 9.568 4.600 1.00 52.22 C ATOM 1728 O TYR A 102 3.796 9.604 4.830 1.00 20.11 O ATOM 1729 CB TYR A 102 2.026 9.576 2.125 1.00 3.24 C ATOM 1730 CG TYR A 102 1.551 10.339 0.870 1.00 65.41 C ATOM 1731 CD1 TYR A 102 0.446 11.194 0.915 1.00 33.21 C ATOM 1732 CD2 TYR A 102 2.186 10.180 -0.364 1.00 73.44 C ATOM 1733 CE1 TYR A 102 0.004 11.852 -0.215 1.00 74.22 C ATOM 1734 CE2 TYR A 102 1.751 10.839 -1.491 1.00 44.15 C ATOM 1735 CZ TYR A 102 0.659 11.672 -1.415 1.00 45.42 C ATOM 1736 OH TYR A 102 0.228 12.334 -2.543 1.00 34.24 O ATOM 0 H TYR A 102 3.662 11.526 2.860 1.00 35.42 H new ATOM 0 HA TYR A 102 0.952 10.631 3.665 1.00 35.44 H new ATOM 0 HB2 TYR A 102 3.046 9.230 1.956 1.00 3.24 H new ATOM 0 HB3 TYR A 102 1.405 8.689 2.249 1.00 3.24 H new ATOM 0 HD1 TYR A 102 -0.071 11.342 1.851 1.00 33.21 H new ATOM 0 HD2 TYR A 102 3.040 9.523 -0.435 1.00 73.44 H new ATOM 0 HE1 TYR A 102 -0.853 12.507 -0.159 1.00 74.22 H new ATOM 0 HE2 TYR A 102 2.265 10.703 -2.431 1.00 44.15 H new ATOM 0 HH TYR A 102 0.991 12.502 -3.135 1.00 34.24 H new ATOM 1746 N GLU A 103 1.711 8.842 5.333 1.00 43.42 N ATOM 1747 CA GLU A 103 2.140 7.964 6.435 1.00 45.13 C ATOM 1748 C GLU A 103 2.702 6.657 5.846 1.00 64.32 C ATOM 1749 O GLU A 103 1.954 5.741 5.491 1.00 0.01 O ATOM 1750 CB GLU A 103 0.970 7.692 7.424 1.00 55.55 C ATOM 1751 CG GLU A 103 1.315 6.750 8.607 1.00 71.33 C ATOM 1752 CD GLU A 103 2.453 7.264 9.507 1.00 22.44 C ATOM 1753 OE1 GLU A 103 2.173 8.021 10.459 1.00 22.23 O ATOM 1754 OE2 GLU A 103 3.629 6.916 9.270 1.00 5.24 O ATOM 0 H GLU A 103 0.703 8.849 5.178 1.00 43.42 H new ATOM 0 HA GLU A 103 2.925 8.459 7.008 1.00 45.13 H new ATOM 0 HB2 GLU A 103 0.626 8.645 7.827 1.00 55.55 H new ATOM 0 HB3 GLU A 103 0.137 7.262 6.868 1.00 55.55 H new ATOM 0 HG2 GLU A 103 0.422 6.606 9.215 1.00 71.33 H new ATOM 0 HG3 GLU A 103 1.592 5.773 8.211 1.00 71.33 H new ATOM 1761 N VAL A 104 4.032 6.611 5.708 1.00 32.21 N ATOM 1762 CA VAL A 104 4.753 5.492 5.083 1.00 31.11 C ATOM 1763 C VAL A 104 5.729 4.850 6.075 1.00 45.32 C ATOM 1764 O VAL A 104 6.504 5.548 6.746 1.00 50.31 O ATOM 1765 CB VAL A 104 5.497 5.950 3.773 1.00 1.45 C ATOM 1766 CG1 VAL A 104 6.240 7.284 3.972 1.00 3.33 C ATOM 1767 CG2 VAL A 104 6.441 4.841 3.228 1.00 1.41 C ATOM 0 H VAL A 104 4.647 7.358 6.031 1.00 32.21 H new ATOM 0 HA VAL A 104 4.017 4.740 4.797 1.00 31.11 H new ATOM 0 HB VAL A 104 4.732 6.121 3.016 1.00 1.45 H new ATOM 0 HG11 VAL A 104 6.740 7.564 3.045 1.00 3.33 H new ATOM 0 HG12 VAL A 104 5.526 8.060 4.248 1.00 3.33 H new ATOM 0 HG13 VAL A 104 6.981 7.173 4.764 1.00 3.33 H new ATOM 0 HG21 VAL A 104 6.935 5.196 2.324 1.00 1.41 H new ATOM 0 HG22 VAL A 104 7.191 4.599 3.981 1.00 1.41 H new ATOM 0 HG23 VAL A 104 5.859 3.949 2.997 1.00 1.41 H new ATOM 1777 N ARG A 105 5.674 3.510 6.178 1.00 32.23 N ATOM 1778 CA ARG A 105 6.521 2.742 7.100 1.00 60.14 C ATOM 1779 C ARG A 105 7.553 1.917 6.321 1.00 40.43 C ATOM 1780 O ARG A 105 7.250 1.387 5.240 1.00 11.45 O ATOM 1781 CB ARG A 105 5.668 1.815 8.005 1.00 10.23 C ATOM 1782 CG ARG A 105 4.495 2.495 8.755 1.00 23.14 C ATOM 1783 CD ARG A 105 4.848 3.848 9.403 1.00 70.24 C ATOM 1784 NE ARG A 105 6.105 3.824 10.172 1.00 51.21 N ATOM 1785 CZ ARG A 105 6.623 4.870 10.837 1.00 32.43 C ATOM 1786 NH1 ARG A 105 6.006 6.051 10.854 1.00 63.55 N ATOM 1787 NH2 ARG A 105 7.792 4.742 11.443 1.00 11.33 N ATOM 0 H ARG A 105 5.041 2.933 5.624 1.00 32.23 H new ATOM 0 HA ARG A 105 7.046 3.451 7.739 1.00 60.14 H new ATOM 0 HB2 ARG A 105 5.263 1.011 7.390 1.00 10.23 H new ATOM 0 HB3 ARG A 105 6.326 1.353 8.741 1.00 10.23 H new ATOM 0 HG2 ARG A 105 3.672 2.645 8.056 1.00 23.14 H new ATOM 0 HG3 ARG A 105 4.135 1.818 9.530 1.00 23.14 H new ATOM 0 HD2 ARG A 105 4.923 4.606 8.623 1.00 70.24 H new ATOM 0 HD3 ARG A 105 4.034 4.149 10.063 1.00 70.24 H new ATOM 0 HE ARG A 105 6.622 2.945 10.202 1.00 51.21 H new ATOM 0 HH11 ARG A 105 5.124 6.173 10.356 1.00 63.55 H new ATOM 0 HH12 ARG A 105 6.416 6.833 11.365 1.00 63.55 H new ATOM 0 HH21 ARG A 105 8.293 3.854 11.403 1.00 11.33 H new ATOM 0 HH22 ARG A 105 8.193 5.531 11.950 1.00 11.33 H new ATOM 1801 N LYS A 106 8.759 1.795 6.899 1.00 62.42 N ATOM 1802 CA LYS A 106 9.903 1.095 6.299 1.00 4.23 C ATOM 1803 C LYS A 106 10.302 -0.087 7.180 1.00 40.20 C ATOM 1804 O LYS A 106 10.544 0.089 8.381 1.00 54.24 O ATOM 1805 CB LYS A 106 11.094 2.075 6.134 1.00 30.40 C ATOM 1806 CG LYS A 106 12.348 1.472 5.463 1.00 72.34 C ATOM 1807 CD LYS A 106 13.443 2.526 5.177 1.00 45.22 C ATOM 1808 CE LYS A 106 13.984 3.215 6.452 1.00 53.45 C ATOM 1809 NZ LYS A 106 14.621 2.256 7.403 1.00 3.12 N ATOM 0 H LYS A 106 8.969 2.189 7.816 1.00 62.42 H new ATOM 0 HA LYS A 106 9.622 0.721 5.315 1.00 4.23 H new ATOM 0 HB2 LYS A 106 10.762 2.931 5.546 1.00 30.40 H new ATOM 0 HB3 LYS A 106 11.373 2.453 7.118 1.00 30.40 H new ATOM 0 HG2 LYS A 106 12.759 0.694 6.106 1.00 72.34 H new ATOM 0 HG3 LYS A 106 12.059 0.993 4.528 1.00 72.34 H new ATOM 0 HD2 LYS A 106 14.270 2.046 4.654 1.00 45.22 H new ATOM 0 HD3 LYS A 106 13.039 3.285 4.507 1.00 45.22 H new ATOM 0 HE2 LYS A 106 14.712 3.975 6.168 1.00 53.45 H new ATOM 0 HE3 LYS A 106 13.166 3.730 6.956 1.00 53.45 H new ATOM 0 HZ1 LYS A 106 14.889 2.757 8.274 1.00 3.12 H new ATOM 0 HZ2 LYS A 106 13.948 1.497 7.633 1.00 3.12 H new ATOM 0 HZ3 LYS A 106 15.470 1.845 6.965 1.00 3.12 H new ATOM 1823 N VAL A 107 10.350 -1.285 6.582 1.00 3.31 N ATOM 1824 CA VAL A 107 10.747 -2.537 7.257 1.00 1.04 C ATOM 1825 C VAL A 107 11.557 -3.398 6.264 1.00 74.10 C ATOM 1826 O VAL A 107 11.295 -3.369 5.069 1.00 44.01 O ATOM 1827 CB VAL A 107 9.493 -3.359 7.790 1.00 51.51 C ATOM 1828 CG1 VAL A 107 8.758 -2.632 8.939 1.00 63.23 C ATOM 1829 CG2 VAL A 107 8.504 -3.678 6.653 1.00 5.45 C ATOM 0 H VAL A 107 10.111 -1.418 5.599 1.00 3.31 H new ATOM 0 HA VAL A 107 11.352 -2.280 8.127 1.00 1.04 H new ATOM 0 HB VAL A 107 9.888 -4.295 8.186 1.00 51.51 H new ATOM 0 HG11 VAL A 107 7.911 -3.234 9.267 1.00 63.23 H new ATOM 0 HG12 VAL A 107 9.443 -2.485 9.774 1.00 63.23 H new ATOM 0 HG13 VAL A 107 8.401 -1.664 8.588 1.00 63.23 H new ATOM 0 HG21 VAL A 107 7.660 -4.240 7.052 1.00 5.45 H new ATOM 0 HG22 VAL A 107 8.145 -2.748 6.212 1.00 5.45 H new ATOM 0 HG23 VAL A 107 9.007 -4.272 5.889 1.00 5.45 H new ATOM 1839 N THR A 108 12.578 -4.105 6.754 1.00 12.55 N ATOM 1840 CA THR A 108 13.291 -5.132 5.956 1.00 64.23 C ATOM 1841 C THR A 108 12.582 -6.500 6.091 1.00 2.13 C ATOM 1842 O THR A 108 12.623 -7.339 5.183 1.00 1.24 O ATOM 1843 CB THR A 108 14.792 -5.252 6.400 1.00 32.34 C ATOM 1844 OG1 THR A 108 15.422 -3.966 6.314 1.00 2.43 O ATOM 1845 CG2 THR A 108 15.597 -6.258 5.545 1.00 41.13 C ATOM 0 H THR A 108 12.938 -3.992 7.702 1.00 12.55 H new ATOM 0 HA THR A 108 13.271 -4.823 4.911 1.00 64.23 H new ATOM 0 HB THR A 108 14.788 -5.621 7.426 1.00 32.34 H new ATOM 0 HG1 THR A 108 14.758 -3.265 6.481 1.00 2.43 H new ATOM 0 HG21 THR A 108 16.627 -6.296 5.901 1.00 41.13 H new ATOM 0 HG22 THR A 108 15.148 -7.248 5.628 1.00 41.13 H new ATOM 0 HG23 THR A 108 15.585 -5.941 4.502 1.00 41.13 H new ATOM 1853 N ASP A 109 11.885 -6.678 7.223 1.00 51.22 N ATOM 1854 CA ASP A 109 11.368 -7.986 7.670 1.00 4.03 C ATOM 1855 C ASP A 109 9.982 -8.300 7.088 1.00 52.15 C ATOM 1856 O ASP A 109 9.147 -7.403 6.918 1.00 15.31 O ATOM 1857 CB ASP A 109 11.283 -8.023 9.215 1.00 70.12 C ATOM 1858 CG ASP A 109 12.577 -7.568 9.908 1.00 25.10 C ATOM 1859 OD1 ASP A 109 12.771 -6.344 10.066 1.00 22.23 O ATOM 1860 OD2 ASP A 109 13.405 -8.420 10.289 1.00 43.10 O ATOM 0 H ASP A 109 11.661 -5.914 7.861 1.00 51.22 H new ATOM 0 HA ASP A 109 12.065 -8.741 7.307 1.00 4.03 H new ATOM 0 HB2 ASP A 109 10.461 -7.386 9.542 1.00 70.12 H new ATOM 0 HB3 ASP A 109 11.046 -9.038 9.534 1.00 70.12 H new ATOM 1865 N ASP A 110 9.779 -9.595 6.805 1.00 12.35 N ATOM 1866 CA ASP A 110 8.469 -10.190 6.470 1.00 33.33 C ATOM 1867 C ASP A 110 7.465 -9.952 7.623 1.00 31.31 C ATOM 1868 O ASP A 110 6.398 -9.360 7.430 1.00 41.02 O ATOM 1869 CB ASP A 110 8.670 -11.720 6.230 1.00 22.01 C ATOM 1870 CG ASP A 110 7.389 -12.510 5.898 1.00 43.32 C ATOM 1871 OD1 ASP A 110 6.576 -12.769 6.809 1.00 23.02 O ATOM 1872 OD2 ASP A 110 7.200 -12.890 4.730 1.00 71.21 O ATOM 0 H ASP A 110 10.537 -10.277 6.802 1.00 12.35 H new ATOM 0 HA ASP A 110 8.066 -9.725 5.570 1.00 33.33 H new ATOM 0 HB2 ASP A 110 9.380 -11.852 5.414 1.00 22.01 H new ATOM 0 HB3 ASP A 110 9.124 -12.154 7.121 1.00 22.01 H new ATOM 1877 N GLU A 111 7.866 -10.408 8.823 1.00 4.24 N ATOM 1878 CA GLU A 111 7.013 -10.421 10.029 1.00 51.34 C ATOM 1879 C GLU A 111 6.629 -9.002 10.492 1.00 5.23 C ATOM 1880 O GLU A 111 5.524 -8.788 11.014 1.00 0.54 O ATOM 1881 CB GLU A 111 7.735 -11.186 11.166 1.00 4.23 C ATOM 1882 CG GLU A 111 9.119 -10.620 11.551 1.00 21.21 C ATOM 1883 CD GLU A 111 9.778 -11.367 12.723 1.00 2.43 C ATOM 1884 OE1 GLU A 111 10.102 -12.565 12.568 1.00 31.05 O ATOM 1885 OE2 GLU A 111 9.976 -10.762 13.800 1.00 13.32 O ATOM 0 H GLU A 111 8.801 -10.782 8.986 1.00 4.24 H new ATOM 0 HA GLU A 111 6.084 -10.931 9.774 1.00 51.34 H new ATOM 0 HB2 GLU A 111 7.097 -11.181 12.050 1.00 4.23 H new ATOM 0 HB3 GLU A 111 7.855 -12.227 10.865 1.00 4.23 H new ATOM 0 HG2 GLU A 111 9.777 -10.667 10.683 1.00 21.21 H new ATOM 0 HG3 GLU A 111 9.013 -9.568 11.814 1.00 21.21 H new ATOM 1892 N GLU A 112 7.545 -8.038 10.300 1.00 12.11 N ATOM 1893 CA GLU A 112 7.302 -6.638 10.668 1.00 53.04 C ATOM 1894 C GLU A 112 6.384 -5.956 9.648 1.00 64.01 C ATOM 1895 O GLU A 112 5.636 -5.057 10.009 1.00 5.51 O ATOM 1896 CB GLU A 112 8.629 -5.862 10.834 1.00 11.31 C ATOM 1897 CG GLU A 112 9.517 -6.379 11.982 1.00 50.14 C ATOM 1898 CD GLU A 112 8.786 -6.444 13.339 1.00 14.34 C ATOM 1899 OE1 GLU A 112 8.497 -5.378 13.926 1.00 21.42 O ATOM 1900 OE2 GLU A 112 8.472 -7.558 13.812 1.00 55.41 O ATOM 0 H GLU A 112 8.464 -8.207 9.890 1.00 12.11 H new ATOM 0 HA GLU A 112 6.795 -6.630 11.633 1.00 53.04 H new ATOM 0 HB2 GLU A 112 9.190 -5.918 9.901 1.00 11.31 H new ATOM 0 HB3 GLU A 112 8.404 -4.810 11.008 1.00 11.31 H new ATOM 0 HG2 GLU A 112 9.885 -7.373 11.728 1.00 50.14 H new ATOM 0 HG3 GLU A 112 10.388 -5.731 12.078 1.00 50.14 H new ATOM 1907 N ALA A 113 6.436 -6.405 8.378 1.00 22.14 N ATOM 1908 CA ALA A 113 5.516 -5.929 7.328 1.00 63.34 C ATOM 1909 C ALA A 113 4.077 -6.382 7.633 1.00 61.14 C ATOM 1910 O ALA A 113 3.137 -5.604 7.476 1.00 13.43 O ATOM 1911 CB ALA A 113 5.973 -6.406 5.943 1.00 1.35 C ATOM 0 H ALA A 113 7.109 -7.100 8.055 1.00 22.14 H new ATOM 0 HA ALA A 113 5.532 -4.839 7.319 1.00 63.34 H new ATOM 0 HB1 ALA A 113 5.279 -6.042 5.186 1.00 1.35 H new ATOM 0 HB2 ALA A 113 6.971 -6.019 5.736 1.00 1.35 H new ATOM 0 HB3 ALA A 113 5.995 -7.496 5.922 1.00 1.35 H new ATOM 1917 N LEU A 114 3.938 -7.638 8.116 1.00 64.52 N ATOM 1918 CA LEU A 114 2.651 -8.195 8.588 1.00 55.32 C ATOM 1919 C LEU A 114 2.110 -7.364 9.755 1.00 71.32 C ATOM 1920 O LEU A 114 0.906 -7.081 9.821 1.00 73.01 O ATOM 1921 CB LEU A 114 2.834 -9.667 9.047 1.00 41.31 C ATOM 1922 CG LEU A 114 3.142 -10.698 7.929 1.00 23.42 C ATOM 1923 CD1 LEU A 114 3.512 -12.069 8.526 1.00 31.35 C ATOM 1924 CD2 LEU A 114 1.953 -10.812 6.950 1.00 60.24 C ATOM 0 H LEU A 114 4.716 -8.294 8.189 1.00 64.52 H new ATOM 0 HA LEU A 114 1.941 -8.163 7.761 1.00 55.32 H new ATOM 0 HB2 LEU A 114 3.643 -9.701 9.777 1.00 41.31 H new ATOM 0 HB3 LEU A 114 1.926 -9.981 9.562 1.00 41.31 H new ATOM 0 HG LEU A 114 4.006 -10.343 7.367 1.00 23.42 H new ATOM 0 HD11 LEU A 114 3.723 -12.772 7.720 1.00 31.35 H new ATOM 0 HD12 LEU A 114 4.395 -11.965 9.157 1.00 31.35 H new ATOM 0 HD13 LEU A 114 2.681 -12.442 9.124 1.00 31.35 H new ATOM 0 HD21 LEU A 114 2.189 -11.540 6.174 1.00 60.24 H new ATOM 0 HD22 LEU A 114 1.065 -11.135 7.493 1.00 60.24 H new ATOM 0 HD23 LEU A 114 1.765 -9.841 6.492 1.00 60.24 H new ATOM 1936 N LYS A 115 3.032 -6.980 10.666 1.00 31.51 N ATOM 1937 CA LYS A 115 2.708 -6.159 11.835 1.00 3.12 C ATOM 1938 C LYS A 115 2.139 -4.803 11.391 1.00 45.20 C ATOM 1939 O LYS A 115 1.074 -4.427 11.845 1.00 73.42 O ATOM 1940 CB LYS A 115 3.947 -5.960 12.754 1.00 53.54 C ATOM 1941 CG LYS A 115 3.667 -5.097 14.014 1.00 54.01 C ATOM 1942 CD LYS A 115 4.874 -4.942 14.975 1.00 32.20 C ATOM 1943 CE LYS A 115 5.193 -6.212 15.796 1.00 71.51 C ATOM 1944 NZ LYS A 115 5.787 -7.311 14.980 1.00 74.35 N ATOM 0 H LYS A 115 4.018 -7.234 10.604 1.00 31.51 H new ATOM 0 HA LYS A 115 1.951 -6.686 12.416 1.00 3.12 H new ATOM 0 HB2 LYS A 115 4.313 -6.937 13.069 1.00 53.54 H new ATOM 0 HB3 LYS A 115 4.744 -5.492 12.176 1.00 53.54 H new ATOM 0 HG2 LYS A 115 3.345 -4.106 13.695 1.00 54.01 H new ATOM 0 HG3 LYS A 115 2.837 -5.540 14.564 1.00 54.01 H new ATOM 0 HD2 LYS A 115 5.754 -4.667 14.394 1.00 32.20 H new ATOM 0 HD3 LYS A 115 4.675 -4.119 15.661 1.00 32.20 H new ATOM 0 HE2 LYS A 115 5.882 -5.953 16.600 1.00 71.51 H new ATOM 0 HE3 LYS A 115 4.277 -6.572 16.265 1.00 71.51 H new ATOM 0 HZ1 LYS A 115 6.553 -7.766 15.516 1.00 74.35 H new ATOM 0 HZ2 LYS A 115 5.054 -8.015 14.759 1.00 74.35 H new ATOM 0 HZ3 LYS A 115 6.169 -6.919 14.095 1.00 74.35 H new ATOM 1958 N ILE A 116 2.836 -4.120 10.450 1.00 41.31 N ATOM 1959 CA ILE A 116 2.461 -2.762 9.989 1.00 2.22 C ATOM 1960 C ILE A 116 1.040 -2.737 9.379 1.00 31.24 C ATOM 1961 O ILE A 116 0.290 -1.782 9.600 1.00 20.31 O ATOM 1962 CB ILE A 116 3.492 -2.187 8.945 1.00 65.32 C ATOM 1963 CG1 ILE A 116 4.926 -2.040 9.553 1.00 33.03 C ATOM 1964 CG2 ILE A 116 3.013 -0.836 8.355 1.00 53.24 C ATOM 1965 CD1 ILE A 116 5.062 -1.050 10.696 1.00 45.13 C ATOM 0 H ILE A 116 3.668 -4.492 9.993 1.00 41.31 H new ATOM 0 HA ILE A 116 2.475 -2.127 10.875 1.00 2.22 H new ATOM 0 HB ILE A 116 3.548 -2.913 8.134 1.00 65.32 H new ATOM 0 HG12 ILE A 116 5.253 -3.019 9.904 1.00 33.03 H new ATOM 0 HG13 ILE A 116 5.609 -1.743 8.757 1.00 33.03 H new ATOM 0 HG21 ILE A 116 3.749 -0.470 7.639 1.00 53.24 H new ATOM 0 HG22 ILE A 116 2.057 -0.977 7.852 1.00 53.24 H new ATOM 0 HG23 ILE A 116 2.896 -0.109 9.159 1.00 53.24 H new ATOM 0 HD11 ILE A 116 6.096 -1.030 11.039 1.00 45.13 H new ATOM 0 HD12 ILE A 116 4.774 -0.056 10.353 1.00 45.13 H new ATOM 0 HD13 ILE A 116 4.413 -1.352 11.518 1.00 45.13 H new ATOM 1977 N VAL A 117 0.690 -3.793 8.616 1.00 61.21 N ATOM 1978 CA VAL A 117 -0.651 -3.941 8.013 1.00 4.11 C ATOM 1979 C VAL A 117 -1.746 -3.912 9.115 1.00 24.12 C ATOM 1980 O VAL A 117 -2.779 -3.254 8.963 1.00 2.43 O ATOM 1981 CB VAL A 117 -0.761 -5.268 7.167 1.00 62.51 C ATOM 1982 CG1 VAL A 117 -2.171 -5.446 6.576 1.00 2.43 C ATOM 1983 CG2 VAL A 117 0.296 -5.316 6.039 1.00 4.45 C ATOM 0 H VAL A 117 1.324 -4.562 8.401 1.00 61.21 H new ATOM 0 HA VAL A 117 -0.806 -3.100 7.337 1.00 4.11 H new ATOM 0 HB VAL A 117 -0.567 -6.093 7.853 1.00 62.51 H new ATOM 0 HG11 VAL A 117 -2.210 -6.370 6.000 1.00 2.43 H new ATOM 0 HG12 VAL A 117 -2.901 -5.491 7.384 1.00 2.43 H new ATOM 0 HG13 VAL A 117 -2.402 -4.603 5.925 1.00 2.43 H new ATOM 0 HG21 VAL A 117 0.188 -6.245 5.479 1.00 4.45 H new ATOM 0 HG22 VAL A 117 0.151 -4.469 5.369 1.00 4.45 H new ATOM 0 HG23 VAL A 117 1.294 -5.268 6.474 1.00 4.45 H new ATOM 1993 N ARG A 118 -1.463 -4.605 10.233 1.00 24.13 N ATOM 1994 CA ARG A 118 -2.361 -4.690 11.405 1.00 11.34 C ATOM 1995 C ARG A 118 -2.396 -3.346 12.171 1.00 24.51 C ATOM 1996 O ARG A 118 -3.477 -2.839 12.493 1.00 42.43 O ATOM 1997 CB ARG A 118 -1.881 -5.846 12.328 1.00 24.35 C ATOM 1998 CG ARG A 118 -1.864 -7.238 11.643 1.00 30.32 C ATOM 1999 CD ARG A 118 -1.045 -8.294 12.414 1.00 41.02 C ATOM 2000 NE ARG A 118 -1.523 -8.488 13.798 1.00 21.34 N ATOM 2001 CZ ARG A 118 -2.175 -9.570 14.257 1.00 60.11 C ATOM 2002 NH1 ARG A 118 -2.469 -10.591 13.454 1.00 73.11 N ATOM 2003 NH2 ARG A 118 -2.548 -9.616 15.529 1.00 14.01 N ATOM 0 H ARG A 118 -0.596 -5.128 10.352 1.00 24.13 H new ATOM 0 HA ARG A 118 -3.377 -4.898 11.068 1.00 11.34 H new ATOM 0 HB2 ARG A 118 -0.877 -5.617 12.687 1.00 24.35 H new ATOM 0 HB3 ARG A 118 -2.530 -5.891 13.203 1.00 24.35 H new ATOM 0 HG2 ARG A 118 -2.889 -7.593 11.534 1.00 30.32 H new ATOM 0 HG3 ARG A 118 -1.454 -7.135 10.638 1.00 30.32 H new ATOM 0 HD2 ARG A 118 -1.092 -9.244 11.881 1.00 41.02 H new ATOM 0 HD3 ARG A 118 0.002 -7.992 12.435 1.00 41.02 H new ATOM 0 HE ARG A 118 -1.343 -7.736 14.463 1.00 21.34 H new ATOM 0 HH11 ARG A 118 -2.199 -10.561 12.471 1.00 73.11 H new ATOM 0 HH12 ARG A 118 -2.964 -11.403 13.822 1.00 73.11 H new ATOM 0 HH21 ARG A 118 -2.340 -8.834 16.150 1.00 14.01 H new ATOM 0 HH22 ARG A 118 -3.043 -10.433 15.886 1.00 14.01 H new ATOM 2017 N GLU A 119 -1.195 -2.780 12.433 1.00 32.20 N ATOM 2018 CA GLU A 119 -1.020 -1.483 13.126 1.00 1.45 C ATOM 2019 C GLU A 119 -1.808 -0.371 12.433 1.00 71.13 C ATOM 2020 O GLU A 119 -2.417 0.460 13.100 1.00 42.34 O ATOM 2021 CB GLU A 119 0.484 -1.089 13.201 1.00 0.25 C ATOM 2022 CG GLU A 119 1.381 -2.081 13.963 1.00 63.14 C ATOM 2023 CD GLU A 119 0.907 -2.358 15.401 1.00 32.52 C ATOM 2024 OE1 GLU A 119 1.258 -1.581 16.310 1.00 14.12 O ATOM 2025 OE2 GLU A 119 0.188 -3.356 15.629 1.00 3.53 O ATOM 0 H GLU A 119 -0.312 -3.215 12.167 1.00 32.20 H new ATOM 0 HA GLU A 119 -1.406 -1.604 14.138 1.00 1.45 H new ATOM 0 HB2 GLU A 119 0.867 -0.983 12.186 1.00 0.25 H new ATOM 0 HB3 GLU A 119 0.564 -0.111 13.676 1.00 0.25 H new ATOM 0 HG2 GLU A 119 1.417 -3.022 13.413 1.00 63.14 H new ATOM 0 HG3 GLU A 119 2.398 -1.690 13.993 1.00 63.14 H new ATOM 2032 N PHE A 120 -1.787 -0.395 11.088 1.00 75.20 N ATOM 2033 CA PHE A 120 -2.529 0.547 10.240 1.00 2.11 C ATOM 2034 C PHE A 120 -4.019 0.573 10.606 1.00 72.21 C ATOM 2035 O PHE A 120 -4.562 1.631 10.895 1.00 45.23 O ATOM 2036 CB PHE A 120 -2.345 0.182 8.738 1.00 4.55 C ATOM 2037 CG PHE A 120 -3.388 0.794 7.799 1.00 54.15 C ATOM 2038 CD1 PHE A 120 -3.395 2.156 7.527 1.00 33.13 C ATOM 2039 CD2 PHE A 120 -4.373 0.004 7.207 1.00 64.53 C ATOM 2040 CE1 PHE A 120 -4.338 2.708 6.688 1.00 61.34 C ATOM 2041 CE2 PHE A 120 -5.311 0.561 6.376 1.00 44.23 C ATOM 2042 CZ PHE A 120 -5.290 1.906 6.113 1.00 2.44 C ATOM 0 H PHE A 120 -1.247 -1.078 10.556 1.00 75.20 H new ATOM 0 HA PHE A 120 -2.125 1.545 10.413 1.00 2.11 H new ATOM 0 HB2 PHE A 120 -1.354 0.505 8.418 1.00 4.55 H new ATOM 0 HB3 PHE A 120 -2.375 -0.903 8.635 1.00 4.55 H new ATOM 0 HD1 PHE A 120 -2.649 2.792 7.980 1.00 33.13 H new ATOM 0 HD2 PHE A 120 -4.397 -1.057 7.405 1.00 64.53 H new ATOM 0 HE1 PHE A 120 -4.327 3.768 6.484 1.00 61.34 H new ATOM 0 HE2 PHE A 120 -6.070 -0.063 5.927 1.00 44.23 H new ATOM 0 HZ PHE A 120 -6.026 2.336 5.450 1.00 2.44 H new ATOM 2052 N MET A 121 -4.640 -0.610 10.606 1.00 25.00 N ATOM 2053 CA MET A 121 -6.108 -0.757 10.695 1.00 62.40 C ATOM 2054 C MET A 121 -6.684 -0.182 12.011 1.00 54.14 C ATOM 2055 O MET A 121 -7.856 0.195 12.059 1.00 32.21 O ATOM 2056 CB MET A 121 -6.478 -2.251 10.534 1.00 5.21 C ATOM 2057 CG MET A 121 -5.961 -2.890 9.239 1.00 5.33 C ATOM 2058 SD MET A 121 -6.506 -4.593 9.027 1.00 22.42 S ATOM 2059 CE MET A 121 -5.799 -4.985 7.426 1.00 70.31 C ATOM 0 H MET A 121 -4.144 -1.499 10.544 1.00 25.00 H new ATOM 0 HA MET A 121 -6.557 -0.176 9.889 1.00 62.40 H new ATOM 0 HB2 MET A 121 -6.080 -2.806 11.384 1.00 5.21 H new ATOM 0 HB3 MET A 121 -7.563 -2.351 10.567 1.00 5.21 H new ATOM 0 HG2 MET A 121 -6.299 -2.298 8.388 1.00 5.33 H new ATOM 0 HG3 MET A 121 -4.871 -2.860 9.236 1.00 5.33 H new ATOM 0 HE1 MET A 121 -6.600 -5.164 6.709 1.00 70.31 H new ATOM 0 HE2 MET A 121 -5.186 -4.151 7.085 1.00 70.31 H new ATOM 0 HE3 MET A 121 -5.181 -5.879 7.510 1.00 70.31 H new ATOM 2069 N GLN A 122 -5.856 -0.121 13.073 1.00 1.21 N ATOM 2070 CA GLN A 122 -6.253 0.466 14.374 1.00 25.44 C ATOM 2071 C GLN A 122 -5.821 1.942 14.477 1.00 60.20 C ATOM 2072 O GLN A 122 -6.586 2.780 14.970 1.00 71.45 O ATOM 2073 CB GLN A 122 -5.687 -0.378 15.551 1.00 40.23 C ATOM 2074 CG GLN A 122 -4.155 -0.561 15.563 1.00 11.12 C ATOM 2075 CD GLN A 122 -3.685 -1.546 16.633 1.00 13.24 C ATOM 2076 OE1 GLN A 122 -3.585 -2.753 16.386 1.00 73.42 O ATOM 2077 NE2 GLN A 122 -3.410 -1.048 17.831 1.00 42.24 N ATOM 0 H GLN A 122 -4.899 -0.474 13.057 1.00 1.21 H new ATOM 0 HA GLN A 122 -7.341 0.444 14.439 1.00 25.44 H new ATOM 0 HB2 GLN A 122 -5.986 0.091 16.488 1.00 40.23 H new ATOM 0 HB3 GLN A 122 -6.153 -1.363 15.525 1.00 40.23 H new ATOM 0 HG2 GLN A 122 -3.828 -0.911 14.584 1.00 11.12 H new ATOM 0 HG3 GLN A 122 -3.679 0.405 15.731 1.00 11.12 H new ATOM 0 HE21 GLN A 122 -3.503 -0.047 18.001 1.00 42.24 H new ATOM 0 HE22 GLN A 122 -3.105 -1.666 18.583 1.00 42.24 H new