USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1031 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 62 GLN : amide:sc= 0.0115 K(o=-0.83,f=-6.3!) USER MOD Set 1.2: A 65 LYS NZ :NH3+ -140:sc= -0.838 (180deg=-3.8!) USER MOD Set 2.1: A 9 THR OG1 : rot 114:sc= 1.15 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.806 K(o=2,f=-1.2) USER MOD Set 3.1: A 2 LYS NZ :NH3+ 151:sc= 2.21 (180deg=-0.772) USER MOD Set 3.2: A 76 TYR OH : rot 90:sc= 0.157 USER MOD Single : A 8 ASN : amide:sc= 0.283 K(o=0.28,f=-0.75) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 16 LYS NZ :NH3+ 173:sc= 0.685 (180deg=0.616) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 0.34 (180deg=0.196) USER MOD Single : A 20 LYS NZ :NH3+ 141:sc= 1.06 (180deg=0.242) USER MOD Single : A 24 ASN : amide:sc= 0.0887 X(o=0.089,f=-0.052) USER MOD Single : A 25 GLN : amide:sc= -0.0465 X(o=-0.046,f=-0.027) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.9!) USER MOD Single : A 33 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-1.5) 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+ 153:sc= -0.594 (180deg=-2.51!) USER MOD Single : A 42 MET CE :methyl -132:sc= -3.62 (180deg=-6.39!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0.877 (180deg=0.514) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= -0.0214 (180deg=-0.972) USER MOD Single : A 58 SER OG : rot -95:sc= 0.484 USER MOD Single : A 59 ASN : amide:sc= -0.152 K(o=-0.15,f=-2.8!) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.502 (180deg=0.139) USER MOD Single : A 67 MET CE :methyl 172:sc= -2.29 (180deg=-2.43) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 173:sc=-0.000308 (180deg=-0.0796) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.406 K(o=0.41,f=-0.16) USER MOD Single : A 88 ASN : amide:sc= -0.0791 K(o=-0.079,f=-1.9!) USER MOD Single : A 94 LYS NZ :NH3+ -155:sc= 0.914 (180deg=0.549) 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 100 GLN : amide:sc= -0.348 K(o=-0.35,f=-3.9!) USER MOD Single : A 102 TYR OH : rot -151:sc= 0.851 USER MOD Single : A 106 LYS NZ :NH3+ -151:sc= 0.689 (180deg=0.238) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 MET CE :methyl -164:sc= -1.58 (180deg=-2.56) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 123 LYS NZ :NH3+ -120:sc= -0.122 (180deg=-0.191) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.449 6.411 12.938 1.00 20.04 N ATOM 21 CA LYS A 2 1.766 5.185 12.182 1.00 54.22 C ATOM 22 C LYS A 2 2.178 5.537 10.757 1.00 1.25 C ATOM 23 O LYS A 2 1.687 6.512 10.178 1.00 70.42 O ATOM 24 CB LYS A 2 0.559 4.212 12.111 1.00 13.12 C ATOM 25 CG LYS A 2 0.006 3.757 13.471 1.00 2.14 C ATOM 26 CD LYS A 2 -1.122 2.720 13.314 1.00 74.40 C ATOM 27 CE LYS A 2 -1.835 2.462 14.637 1.00 54.00 C ATOM 28 NZ LYS A 2 -2.504 3.675 15.158 1.00 35.53 N ATOM 0 HA LYS A 2 2.582 4.693 12.711 1.00 54.22 H new ATOM 0 HB2 LYS A 2 -0.244 4.694 11.553 1.00 13.12 H new ATOM 0 HB3 LYS A 2 0.856 3.330 11.544 1.00 13.12 H new ATOM 0 HG2 LYS A 2 0.813 3.329 14.066 1.00 2.14 H new ATOM 0 HG3 LYS A 2 -0.369 4.622 14.018 1.00 2.14 H new ATOM 0 HD2 LYS A 2 -1.841 3.073 12.575 1.00 74.40 H new ATOM 0 HD3 LYS A 2 -0.708 1.786 12.935 1.00 74.40 H new ATOM 0 HE2 LYS A 2 -2.573 1.672 14.502 1.00 54.00 H new ATOM 0 HE3 LYS A 2 -1.115 2.103 15.372 1.00 54.00 H new ATOM 0 HZ1 LYS A 2 -3.331 3.399 15.724 1.00 35.53 H new ATOM 0 HZ2 LYS A 2 -1.839 4.209 15.753 1.00 35.53 H new ATOM 0 HZ3 LYS A 2 -2.812 4.270 14.363 1.00 35.53 H new ATOM 42 N ILE A 3 3.078 4.721 10.204 1.00 24.23 N ATOM 43 CA ILE A 3 3.393 4.720 8.780 1.00 23.33 C ATOM 44 C ILE A 3 2.950 3.370 8.208 1.00 4.24 C ATOM 45 O ILE A 3 3.531 2.324 8.535 1.00 62.31 O ATOM 46 CB ILE A 3 4.917 4.972 8.486 1.00 72.25 C ATOM 47 CG1 ILE A 3 5.380 6.334 9.102 1.00 25.34 C ATOM 48 CG2 ILE A 3 5.184 4.929 6.961 1.00 15.44 C ATOM 49 CD1 ILE A 3 6.811 6.740 8.786 1.00 23.12 C ATOM 0 H ILE A 3 3.612 4.037 10.740 1.00 24.23 H new ATOM 0 HA ILE A 3 2.862 5.544 8.304 1.00 23.33 H new ATOM 0 HB ILE A 3 5.499 4.179 8.956 1.00 72.25 H new ATOM 0 HG12 ILE A 3 4.711 7.119 8.749 1.00 25.34 H new ATOM 0 HG13 ILE A 3 5.266 6.281 10.185 1.00 25.34 H new ATOM 0 HG21 ILE A 3 6.243 5.105 6.772 1.00 15.44 H new ATOM 0 HG22 ILE A 3 4.903 3.951 6.570 1.00 15.44 H new ATOM 0 HG23 ILE A 3 4.594 5.701 6.466 1.00 15.44 H new ATOM 0 HD11 ILE A 3 7.031 7.697 9.260 1.00 23.12 H new ATOM 0 HD12 ILE A 3 7.496 5.982 9.165 1.00 23.12 H new ATOM 0 HD13 ILE A 3 6.933 6.833 7.707 1.00 23.12 H new ATOM 61 N LEU A 4 1.888 3.403 7.395 1.00 30.11 N ATOM 62 CA LEU A 4 1.302 2.216 6.772 1.00 20.03 C ATOM 63 C LEU A 4 1.705 2.195 5.290 1.00 61.52 C ATOM 64 O LEU A 4 1.465 3.163 4.576 1.00 60.32 O ATOM 65 CB LEU A 4 -0.250 2.249 6.932 1.00 13.05 C ATOM 66 CG LEU A 4 -0.793 2.494 8.385 1.00 34.20 C ATOM 67 CD1 LEU A 4 -2.335 2.596 8.404 1.00 23.10 C ATOM 68 CD2 LEU A 4 -0.289 1.416 9.374 1.00 2.51 C ATOM 0 H LEU A 4 1.407 4.268 7.149 1.00 30.11 H new ATOM 0 HA LEU A 4 1.669 1.310 7.255 1.00 20.03 H new ATOM 0 HB2 LEU A 4 -0.645 3.030 6.283 1.00 13.05 H new ATOM 0 HB3 LEU A 4 -0.652 1.302 6.571 1.00 13.05 H new ATOM 0 HG LEU A 4 -0.395 3.453 8.719 1.00 34.20 H new ATOM 0 HD11 LEU A 4 -2.676 2.766 9.425 1.00 23.10 H new ATOM 0 HD12 LEU A 4 -2.653 3.426 7.773 1.00 23.10 H new ATOM 0 HD13 LEU A 4 -2.766 1.668 8.027 1.00 23.10 H new ATOM 0 HD21 LEU A 4 -0.686 1.620 10.368 1.00 2.51 H new ATOM 0 HD22 LEU A 4 -0.626 0.433 9.044 1.00 2.51 H new ATOM 0 HD23 LEU A 4 0.800 1.434 9.408 1.00 2.51 H new ATOM 80 N ILE A 5 2.355 1.120 4.842 1.00 12.25 N ATOM 81 CA ILE A 5 2.748 0.972 3.433 1.00 12.43 C ATOM 82 C ILE A 5 1.593 0.277 2.686 1.00 42.20 C ATOM 83 O ILE A 5 1.292 -0.880 2.968 1.00 43.45 O ATOM 84 CB ILE A 5 4.087 0.145 3.287 1.00 64.31 C ATOM 85 CG1 ILE A 5 5.225 0.717 4.207 1.00 33.24 C ATOM 86 CG2 ILE A 5 4.546 0.082 1.805 1.00 1.10 C ATOM 87 CD1 ILE A 5 5.676 2.138 3.893 1.00 5.44 C ATOM 0 H ILE A 5 2.623 0.334 5.434 1.00 12.25 H new ATOM 0 HA ILE A 5 2.939 1.956 3.004 1.00 12.43 H new ATOM 0 HB ILE A 5 3.879 -0.872 3.619 1.00 64.31 H new ATOM 0 HG12 ILE A 5 4.882 0.684 5.241 1.00 33.24 H new ATOM 0 HG13 ILE A 5 6.090 0.057 4.137 1.00 33.24 H new ATOM 0 HG21 ILE A 5 5.469 -0.493 1.734 1.00 1.10 H new ATOM 0 HG22 ILE A 5 3.773 -0.398 1.205 1.00 1.10 H new ATOM 0 HG23 ILE A 5 4.718 1.092 1.434 1.00 1.10 H new ATOM 0 HD11 ILE A 5 6.463 2.432 4.587 1.00 5.44 H new ATOM 0 HD12 ILE A 5 6.057 2.182 2.873 1.00 5.44 H new ATOM 0 HD13 ILE A 5 4.831 2.819 3.994 1.00 5.44 H new ATOM 99 N LEU A 6 0.920 0.995 1.777 1.00 4.41 N ATOM 100 CA LEU A 6 -0.207 0.439 1.001 1.00 33.22 C ATOM 101 C LEU A 6 0.366 -0.089 -0.326 1.00 14.05 C ATOM 102 O LEU A 6 1.191 0.584 -0.942 1.00 34.35 O ATOM 103 CB LEU A 6 -1.296 1.539 0.746 1.00 64.03 C ATOM 104 CG LEU A 6 -2.802 1.080 0.650 1.00 32.32 C ATOM 105 CD1 LEU A 6 -3.038 -0.114 -0.304 1.00 33.31 C ATOM 106 CD2 LEU A 6 -3.369 0.804 2.049 1.00 73.02 C ATOM 0 H LEU A 6 1.135 1.968 1.557 1.00 4.41 H new ATOM 0 HA LEU A 6 -0.692 -0.368 1.550 1.00 33.22 H new ATOM 0 HB2 LEU A 6 -1.221 2.275 1.547 1.00 64.03 H new ATOM 0 HB3 LEU A 6 -1.043 2.051 -0.182 1.00 64.03 H new ATOM 0 HG LEU A 6 -3.346 1.912 0.203 1.00 32.32 H new ATOM 0 HD11 LEU A 6 -4.098 -0.368 -0.314 1.00 33.31 H new ATOM 0 HD12 LEU A 6 -2.720 0.157 -1.311 1.00 33.31 H new ATOM 0 HD13 LEU A 6 -2.462 -0.973 0.039 1.00 33.31 H new ATOM 0 HD21 LEU A 6 -4.409 0.488 1.964 1.00 73.02 H new ATOM 0 HD22 LEU A 6 -2.788 0.016 2.528 1.00 73.02 H new ATOM 0 HD23 LEU A 6 -3.313 1.712 2.650 1.00 73.02 H new ATOM 118 N ILE A 7 -0.041 -1.295 -0.744 1.00 13.31 N ATOM 119 CA ILE A 7 0.364 -1.885 -2.034 1.00 4.51 C ATOM 120 C ILE A 7 -0.845 -2.593 -2.673 1.00 15.21 C ATOM 121 O ILE A 7 -1.519 -3.393 -2.016 1.00 23.23 O ATOM 122 CB ILE A 7 1.571 -2.902 -1.853 1.00 21.11 C ATOM 123 CG1 ILE A 7 2.806 -2.179 -1.209 1.00 13.42 C ATOM 124 CG2 ILE A 7 1.959 -3.581 -3.199 1.00 62.21 C ATOM 125 CD1 ILE A 7 3.957 -3.072 -0.823 1.00 54.31 C ATOM 0 H ILE A 7 -0.662 -1.893 -0.198 1.00 13.31 H new ATOM 0 HA ILE A 7 0.707 -1.085 -2.690 1.00 4.51 H new ATOM 0 HB ILE A 7 1.242 -3.692 -1.178 1.00 21.11 H new ATOM 0 HG12 ILE A 7 3.171 -1.429 -1.911 1.00 13.42 H new ATOM 0 HG13 ILE A 7 2.469 -1.646 -0.320 1.00 13.42 H new ATOM 0 HG21 ILE A 7 2.788 -4.269 -3.034 1.00 62.21 H new ATOM 0 HG22 ILE A 7 1.103 -4.131 -3.589 1.00 62.21 H new ATOM 0 HG23 ILE A 7 2.258 -2.819 -3.918 1.00 62.21 H new ATOM 0 HD11 ILE A 7 4.755 -2.470 -0.388 1.00 54.31 H new ATOM 0 HD12 ILE A 7 3.618 -3.807 -0.093 1.00 54.31 H new ATOM 0 HD13 ILE A 7 4.331 -3.586 -1.708 1.00 54.31 H new ATOM 137 N ASN A 8 -1.133 -2.259 -3.942 1.00 60.21 N ATOM 138 CA ASN A 8 -2.107 -2.986 -4.772 1.00 13.25 C ATOM 139 C ASN A 8 -1.380 -3.532 -6.000 1.00 70.34 C ATOM 140 O ASN A 8 -0.875 -2.765 -6.836 1.00 13.21 O ATOM 141 CB ASN A 8 -3.276 -2.070 -5.216 1.00 51.42 C ATOM 142 CG ASN A 8 -4.295 -2.770 -6.136 1.00 14.12 C ATOM 143 OD1 ASN A 8 -4.117 -2.834 -7.351 1.00 70.21 O ATOM 144 ND2 ASN A 8 -5.387 -3.267 -5.573 1.00 44.15 N ATOM 0 H ASN A 8 -0.695 -1.473 -4.423 1.00 60.21 H new ATOM 0 HA ASN A 8 -2.535 -3.798 -4.185 1.00 13.25 H new ATOM 0 HB2 ASN A 8 -3.793 -1.700 -4.330 1.00 51.42 H new ATOM 0 HB3 ASN A 8 -2.869 -1.201 -5.733 1.00 51.42 H new ATOM 0 HD21 ASN A 8 -6.100 -3.713 -6.150 1.00 44.15 H new ATOM 0 HD22 ASN A 8 -5.514 -3.203 -4.563 1.00 44.15 H new ATOM 151 N THR A 9 -1.278 -4.851 -6.058 1.00 71.45 N ATOM 152 CA THR A 9 -0.873 -5.595 -7.245 1.00 24.12 C ATOM 153 C THR A 9 -1.928 -6.683 -7.517 1.00 31.33 C ATOM 154 O THR A 9 -2.449 -7.298 -6.574 1.00 24.32 O ATOM 155 CB THR A 9 0.564 -6.207 -7.082 1.00 13.24 C ATOM 156 OG1 THR A 9 0.863 -7.096 -8.168 1.00 34.43 O ATOM 157 CG2 THR A 9 0.753 -6.937 -5.740 1.00 42.02 C ATOM 0 H THR A 9 -1.480 -5.452 -5.259 1.00 71.45 H new ATOM 0 HA THR A 9 -0.818 -4.920 -8.099 1.00 24.12 H new ATOM 0 HB THR A 9 1.260 -5.368 -7.095 1.00 13.24 H new ATOM 0 HG1 THR A 9 1.587 -6.719 -8.710 1.00 34.43 H new ATOM 0 HG21 THR A 9 1.765 -7.339 -5.684 1.00 42.02 H new ATOM 0 HG22 THR A 9 0.595 -6.237 -4.920 1.00 42.02 H new ATOM 0 HG23 THR A 9 0.034 -7.753 -5.665 1.00 42.02 H new ATOM 165 N ASN A 10 -2.246 -6.906 -8.801 1.00 61.15 N ATOM 166 CA ASN A 10 -3.174 -7.976 -9.233 1.00 23.55 C ATOM 167 C ASN A 10 -2.406 -9.302 -9.435 1.00 11.04 C ATOM 168 O ASN A 10 -3.004 -10.344 -9.717 1.00 25.32 O ATOM 169 CB ASN A 10 -3.895 -7.549 -10.533 1.00 34.45 C ATOM 170 CG ASN A 10 -4.723 -6.265 -10.364 1.00 64.45 C ATOM 171 OD1 ASN A 10 -4.217 -5.153 -10.537 1.00 12.32 O ATOM 172 ND2 ASN A 10 -5.994 -6.392 -10.023 1.00 25.43 N ATOM 0 H ASN A 10 -1.871 -6.354 -9.572 1.00 61.15 H new ATOM 0 HA ASN A 10 -3.924 -8.137 -8.458 1.00 23.55 H new ATOM 0 HB2 ASN A 10 -3.156 -7.398 -11.320 1.00 34.45 H new ATOM 0 HB3 ASN A 10 -4.549 -8.357 -10.862 1.00 34.45 H new ATOM 0 HD21 ASN A 10 -6.574 -5.562 -9.899 1.00 25.43 H new ATOM 0 HD22 ASN A 10 -6.395 -7.320 -9.884 1.00 25.43 H new ATOM 179 N ASN A 11 -1.066 -9.225 -9.291 1.00 21.45 N ATOM 180 CA ASN A 11 -0.168 -10.387 -9.326 1.00 32.51 C ATOM 181 C ASN A 11 0.076 -10.862 -7.885 1.00 33.02 C ATOM 182 O ASN A 11 0.748 -10.176 -7.097 1.00 71.04 O ATOM 183 CB ASN A 11 1.190 -10.034 -10.007 1.00 71.54 C ATOM 184 CG ASN A 11 1.094 -9.803 -11.521 1.00 72.40 C ATOM 185 OD1 ASN A 11 0.064 -9.386 -12.038 1.00 65.31 O ATOM 186 ND2 ASN A 11 2.190 -10.027 -12.237 1.00 22.32 N ATOM 0 H ASN A 11 -0.577 -8.342 -9.146 1.00 21.45 H new ATOM 0 HA ASN A 11 -0.635 -11.178 -9.912 1.00 32.51 H new ATOM 0 HB2 ASN A 11 1.596 -9.137 -9.539 1.00 71.54 H new ATOM 0 HB3 ASN A 11 1.899 -10.840 -9.818 1.00 71.54 H new ATOM 0 HD21 ASN A 11 2.187 -9.852 -13.242 1.00 22.32 H new ATOM 0 HD22 ASN A 11 3.034 -10.374 -11.782 1.00 22.32 H new ATOM 193 N ASP A 12 -0.487 -12.030 -7.554 1.00 32.51 N ATOM 194 CA ASP A 12 -0.291 -12.701 -6.254 1.00 71.52 C ATOM 195 C ASP A 12 1.171 -13.125 -6.042 1.00 73.32 C ATOM 196 O ASP A 12 1.592 -13.386 -4.903 1.00 11.22 O ATOM 197 CB ASP A 12 -1.223 -13.921 -6.145 1.00 42.43 C ATOM 198 CG ASP A 12 -2.702 -13.541 -6.290 1.00 71.03 C ATOM 199 OD1 ASP A 12 -3.184 -13.428 -7.436 1.00 41.43 O ATOM 200 OD2 ASP A 12 -3.387 -13.336 -5.262 1.00 33.14 O ATOM 0 H ASP A 12 -1.100 -12.546 -8.186 1.00 32.51 H new ATOM 0 HA ASP A 12 -0.539 -11.985 -5.470 1.00 71.52 H new ATOM 0 HB2 ASP A 12 -0.960 -14.646 -6.915 1.00 42.43 H new ATOM 0 HB3 ASP A 12 -1.068 -14.408 -5.182 1.00 42.43 H new ATOM 205 N GLU A 13 1.919 -13.190 -7.160 1.00 21.43 N ATOM 206 CA GLU A 13 3.372 -13.371 -7.164 1.00 42.02 C ATOM 207 C GLU A 13 4.019 -12.255 -6.321 1.00 1.31 C ATOM 208 O GLU A 13 4.662 -12.535 -5.309 1.00 22.25 O ATOM 209 CB GLU A 13 3.903 -13.360 -8.627 1.00 54.54 C ATOM 210 CG GLU A 13 3.296 -14.464 -9.520 1.00 14.30 C ATOM 211 CD GLU A 13 3.881 -14.492 -10.943 1.00 42.00 C ATOM 212 OE1 GLU A 13 4.952 -15.116 -11.150 1.00 51.02 O ATOM 213 OE2 GLU A 13 3.279 -13.891 -11.864 1.00 75.11 O ATOM 0 H GLU A 13 1.519 -13.117 -8.096 1.00 21.43 H new ATOM 0 HA GLU A 13 3.633 -14.334 -6.725 1.00 42.02 H new ATOM 0 HB2 GLU A 13 3.691 -12.388 -9.073 1.00 54.54 H new ATOM 0 HB3 GLU A 13 4.987 -13.474 -8.611 1.00 54.54 H new ATOM 0 HG2 GLU A 13 3.461 -15.433 -9.049 1.00 14.30 H new ATOM 0 HG3 GLU A 13 2.218 -14.319 -9.582 1.00 14.30 H new ATOM 220 N LEU A 14 3.727 -10.989 -6.688 1.00 31.31 N ATOM 221 CA LEU A 14 4.274 -9.809 -5.988 1.00 54.55 C ATOM 222 C LEU A 14 3.762 -9.726 -4.547 1.00 72.02 C ATOM 223 O LEU A 14 4.516 -9.326 -3.669 1.00 72.31 O ATOM 224 CB LEU A 14 3.967 -8.474 -6.739 1.00 15.44 C ATOM 225 CG LEU A 14 4.860 -8.156 -7.972 1.00 41.31 C ATOM 226 CD1 LEU A 14 6.353 -8.123 -7.584 1.00 32.13 C ATOM 227 CD2 LEU A 14 4.586 -9.131 -9.132 1.00 63.22 C ATOM 0 H LEU A 14 3.113 -10.758 -7.469 1.00 31.31 H new ATOM 0 HA LEU A 14 5.356 -9.941 -5.971 1.00 54.55 H new ATOM 0 HB2 LEU A 14 2.928 -8.497 -7.066 1.00 15.44 H new ATOM 0 HB3 LEU A 14 4.060 -7.653 -6.028 1.00 15.44 H new ATOM 0 HG LEU A 14 4.597 -7.160 -8.327 1.00 41.31 H new ATOM 0 HD11 LEU A 14 6.953 -7.899 -8.466 1.00 32.13 H new ATOM 0 HD12 LEU A 14 6.516 -7.354 -6.829 1.00 32.13 H new ATOM 0 HD13 LEU A 14 6.646 -9.093 -7.183 1.00 32.13 H new ATOM 0 HD21 LEU A 14 5.227 -8.880 -9.977 1.00 63.22 H new ATOM 0 HD22 LEU A 14 4.796 -10.150 -8.808 1.00 63.22 H new ATOM 0 HD23 LEU A 14 3.541 -9.054 -9.433 1.00 63.22 H new ATOM 239 N ILE A 15 2.489 -10.116 -4.320 1.00 20.01 N ATOM 240 CA ILE A 15 1.879 -10.105 -2.973 1.00 54.41 C ATOM 241 C ILE A 15 2.758 -10.901 -1.973 1.00 14.25 C ATOM 242 O ILE A 15 3.243 -10.335 -0.986 1.00 63.32 O ATOM 243 CB ILE A 15 0.395 -10.663 -3.002 1.00 74.23 C ATOM 244 CG1 ILE A 15 -0.522 -9.730 -3.863 1.00 55.55 C ATOM 245 CG2 ILE A 15 -0.182 -10.849 -1.576 1.00 65.03 C ATOM 246 CD1 ILE A 15 -1.987 -10.143 -3.957 1.00 24.32 C ATOM 0 H ILE A 15 1.862 -10.443 -5.055 1.00 20.01 H new ATOM 0 HA ILE A 15 1.828 -9.070 -2.635 1.00 54.41 H new ATOM 0 HB ILE A 15 0.421 -11.649 -3.465 1.00 74.23 H new ATOM 0 HG12 ILE A 15 -0.474 -8.723 -3.449 1.00 55.55 H new ATOM 0 HG13 ILE A 15 -0.113 -9.680 -4.872 1.00 55.55 H new ATOM 0 HG21 ILE A 15 -1.200 -11.233 -1.643 1.00 65.03 H new ATOM 0 HG22 ILE A 15 0.437 -11.555 -1.022 1.00 65.03 H new ATOM 0 HG23 ILE A 15 -0.189 -9.890 -1.058 1.00 65.03 H new ATOM 0 HD11 ILE A 15 -2.528 -9.427 -4.576 1.00 24.32 H new ATOM 0 HD12 ILE A 15 -2.057 -11.135 -4.403 1.00 24.32 H new ATOM 0 HD13 ILE A 15 -2.424 -10.162 -2.959 1.00 24.32 H new ATOM 258 N LYS A 16 3.029 -12.183 -2.289 1.00 12.51 N ATOM 259 CA LYS A 16 3.785 -13.079 -1.383 1.00 62.34 C ATOM 260 C LYS A 16 5.282 -12.686 -1.290 1.00 33.54 C ATOM 261 O LYS A 16 5.872 -12.758 -0.202 1.00 54.41 O ATOM 262 CB LYS A 16 3.636 -14.565 -1.811 1.00 31.43 C ATOM 263 CG LYS A 16 4.303 -14.923 -3.164 1.00 71.22 C ATOM 264 CD LYS A 16 4.242 -16.431 -3.501 1.00 43.33 C ATOM 265 CE LYS A 16 2.809 -16.948 -3.681 1.00 12.43 C ATOM 266 NZ LYS A 16 2.101 -16.246 -4.780 1.00 2.42 N ATOM 0 H LYS A 16 2.738 -12.623 -3.162 1.00 12.51 H new ATOM 0 HA LYS A 16 3.353 -12.961 -0.389 1.00 62.34 H new ATOM 0 HB2 LYS A 16 4.064 -15.197 -1.033 1.00 31.43 H new ATOM 0 HB3 LYS A 16 2.575 -14.807 -1.870 1.00 31.43 H new ATOM 0 HG2 LYS A 16 3.816 -14.361 -3.960 1.00 71.22 H new ATOM 0 HG3 LYS A 16 5.346 -14.606 -3.142 1.00 71.22 H new ATOM 0 HD2 LYS A 16 4.807 -16.616 -4.415 1.00 43.33 H new ATOM 0 HD3 LYS A 16 4.729 -16.995 -2.705 1.00 43.33 H new ATOM 0 HE2 LYS A 16 2.833 -18.018 -3.889 1.00 12.43 H new ATOM 0 HE3 LYS A 16 2.256 -16.817 -2.751 1.00 12.43 H new ATOM 0 HZ1 LYS A 16 1.182 -16.702 -4.948 1.00 2.42 H new ATOM 0 HZ2 LYS A 16 1.951 -15.251 -4.517 1.00 2.42 H new ATOM 0 HZ3 LYS A 16 2.674 -16.292 -5.647 1.00 2.42 H new ATOM 280 N LYS A 17 5.874 -12.247 -2.423 1.00 43.44 N ATOM 281 CA LYS A 17 7.311 -11.890 -2.500 1.00 33.03 C ATOM 282 C LYS A 17 7.620 -10.644 -1.652 1.00 64.22 C ATOM 283 O LYS A 17 8.609 -10.622 -0.908 1.00 43.02 O ATOM 284 CB LYS A 17 7.732 -11.667 -3.975 1.00 32.03 C ATOM 285 CG LYS A 17 7.665 -12.941 -4.849 1.00 21.52 C ATOM 286 CD LYS A 17 7.934 -12.667 -6.349 1.00 53.03 C ATOM 287 CE LYS A 17 9.352 -12.147 -6.621 1.00 53.11 C ATOM 288 NZ LYS A 17 9.588 -11.934 -8.071 1.00 45.40 N ATOM 0 H LYS A 17 5.375 -12.130 -3.305 1.00 43.44 H new ATOM 0 HA LYS A 17 7.889 -12.720 -2.094 1.00 33.03 H new ATOM 0 HB2 LYS A 17 7.089 -10.904 -4.414 1.00 32.03 H new ATOM 0 HB3 LYS A 17 8.750 -11.277 -3.996 1.00 32.03 H new ATOM 0 HG2 LYS A 17 8.393 -13.664 -4.482 1.00 21.52 H new ATOM 0 HG3 LYS A 17 6.681 -13.397 -4.740 1.00 21.52 H new ATOM 0 HD2 LYS A 17 7.776 -13.586 -6.914 1.00 53.03 H new ATOM 0 HD3 LYS A 17 7.210 -11.939 -6.715 1.00 53.03 H new ATOM 0 HE2 LYS A 17 9.505 -11.210 -6.086 1.00 53.11 H new ATOM 0 HE3 LYS A 17 10.081 -12.858 -6.234 1.00 53.11 H new ATOM 0 HZ1 LYS A 17 10.556 -11.583 -8.217 1.00 45.40 H new ATOM 0 HZ2 LYS A 17 9.466 -12.834 -8.578 1.00 45.40 H new ATOM 0 HZ3 LYS A 17 8.908 -11.236 -8.435 1.00 45.40 H new ATOM 302 N ILE A 18 6.744 -9.626 -1.768 1.00 12.33 N ATOM 303 CA ILE A 18 6.817 -8.395 -0.964 1.00 22.12 C ATOM 304 C ILE A 18 6.630 -8.737 0.527 1.00 23.43 C ATOM 305 O ILE A 18 7.384 -8.247 1.366 1.00 61.24 O ATOM 306 CB ILE A 18 5.741 -7.334 -1.437 1.00 71.31 C ATOM 307 CG1 ILE A 18 6.096 -6.775 -2.860 1.00 63.25 C ATOM 308 CG2 ILE A 18 5.578 -6.187 -0.415 1.00 55.35 C ATOM 309 CD1 ILE A 18 5.035 -5.878 -3.495 1.00 64.22 C ATOM 0 H ILE A 18 5.964 -9.637 -2.425 1.00 12.33 H new ATOM 0 HA ILE A 18 7.800 -7.946 -1.106 1.00 22.12 H new ATOM 0 HB ILE A 18 4.782 -7.848 -1.501 1.00 71.31 H new ATOM 0 HG12 ILE A 18 7.027 -6.213 -2.789 1.00 63.25 H new ATOM 0 HG13 ILE A 18 6.282 -7.617 -3.527 1.00 63.25 H new ATOM 0 HG21 ILE A 18 4.831 -5.481 -0.777 1.00 55.35 H new ATOM 0 HG22 ILE A 18 5.257 -6.596 0.543 1.00 55.35 H new ATOM 0 HG23 ILE A 18 6.531 -5.674 -0.289 1.00 55.35 H new ATOM 0 HD11 ILE A 18 5.378 -5.546 -4.475 1.00 64.22 H new ATOM 0 HD12 ILE A 18 4.106 -6.437 -3.606 1.00 64.22 H new ATOM 0 HD13 ILE A 18 4.863 -5.011 -2.858 1.00 64.22 H new ATOM 321 N LYS A 19 5.664 -9.637 0.834 1.00 52.21 N ATOM 322 CA LYS A 19 5.396 -10.053 2.226 1.00 31.32 C ATOM 323 C LYS A 19 6.623 -10.720 2.867 1.00 30.23 C ATOM 324 O LYS A 19 6.820 -10.577 4.068 1.00 22.33 O ATOM 325 CB LYS A 19 4.149 -10.973 2.339 1.00 70.13 C ATOM 326 CG LYS A 19 2.822 -10.227 2.104 1.00 72.30 C ATOM 327 CD LYS A 19 1.562 -11.068 2.400 1.00 12.25 C ATOM 328 CE LYS A 19 1.423 -12.300 1.501 1.00 73.22 C ATOM 329 NZ LYS A 19 0.120 -12.980 1.716 1.00 4.21 N ATOM 0 H LYS A 19 5.064 -10.084 0.140 1.00 52.21 H new ATOM 0 HA LYS A 19 5.179 -9.140 2.781 1.00 31.32 H new ATOM 0 HB2 LYS A 19 4.236 -11.783 1.615 1.00 70.13 H new ATOM 0 HB3 LYS A 19 4.131 -11.430 3.328 1.00 70.13 H new ATOM 0 HG2 LYS A 19 2.804 -9.334 2.729 1.00 72.30 H new ATOM 0 HG3 LYS A 19 2.786 -9.891 1.068 1.00 72.30 H new ATOM 0 HD2 LYS A 19 1.586 -11.389 3.441 1.00 12.25 H new ATOM 0 HD3 LYS A 19 0.679 -10.440 2.280 1.00 12.25 H new ATOM 0 HE2 LYS A 19 1.512 -12.003 0.456 1.00 73.22 H new ATOM 0 HE3 LYS A 19 2.237 -12.996 1.705 1.00 73.22 H new ATOM 0 HZ1 LYS A 19 0.286 -13.950 2.051 1.00 4.21 H new ATOM 0 HZ2 LYS A 19 -0.431 -12.458 2.427 1.00 4.21 H new ATOM 0 HZ3 LYS A 19 -0.408 -13.009 0.821 1.00 4.21 H new ATOM 343 N LYS A 20 7.453 -11.416 2.060 1.00 15.32 N ATOM 344 CA LYS A 20 8.719 -12.003 2.543 1.00 75.54 C ATOM 345 C LYS A 20 9.767 -10.897 2.801 1.00 71.41 C ATOM 346 O LYS A 20 10.342 -10.839 3.891 1.00 13.44 O ATOM 347 CB LYS A 20 9.261 -13.065 1.540 1.00 35.11 C ATOM 348 CG LYS A 20 8.360 -14.314 1.351 1.00 31.35 C ATOM 349 CD LYS A 20 8.002 -15.047 2.671 1.00 11.53 C ATOM 350 CE LYS A 20 9.233 -15.580 3.429 1.00 52.41 C ATOM 351 NZ LYS A 20 8.846 -16.246 4.703 1.00 73.43 N ATOM 0 H LYS A 20 7.268 -11.584 1.071 1.00 15.32 H new ATOM 0 HA LYS A 20 8.521 -12.510 3.487 1.00 75.54 H new ATOM 0 HB2 LYS A 20 9.401 -12.588 0.570 1.00 35.11 H new ATOM 0 HB3 LYS A 20 10.244 -13.393 1.879 1.00 35.11 H new ATOM 0 HG2 LYS A 20 7.438 -14.011 0.855 1.00 31.35 H new ATOM 0 HG3 LYS A 20 8.864 -15.014 0.685 1.00 31.35 H new ATOM 0 HD2 LYS A 20 7.453 -14.364 3.319 1.00 11.53 H new ATOM 0 HD3 LYS A 20 7.335 -15.879 2.446 1.00 11.53 H new ATOM 0 HE2 LYS A 20 9.772 -16.286 2.798 1.00 52.41 H new ATOM 0 HE3 LYS A 20 9.915 -14.757 3.641 1.00 52.41 H new ATOM 0 HZ1 LYS A 20 9.438 -17.088 4.848 1.00 73.43 H new ATOM 0 HZ2 LYS A 20 8.982 -15.586 5.495 1.00 73.43 H new ATOM 0 HZ3 LYS A 20 7.846 -16.530 4.657 1.00 73.43 H new ATOM 365 N GLU A 21 9.987 -10.033 1.781 1.00 3.22 N ATOM 366 CA GLU A 21 10.882 -8.844 1.870 1.00 42.21 C ATOM 367 C GLU A 21 10.683 -8.065 3.191 1.00 52.40 C ATOM 368 O GLU A 21 11.619 -7.898 3.981 1.00 13.14 O ATOM 369 CB GLU A 21 10.624 -7.881 0.672 1.00 63.53 C ATOM 370 CG GLU A 21 11.031 -8.418 -0.714 1.00 70.03 C ATOM 371 CD GLU A 21 12.538 -8.679 -0.838 1.00 2.51 C ATOM 372 OE1 GLU A 21 13.315 -7.700 -0.868 1.00 44.23 O ATOM 373 OE2 GLU A 21 12.958 -9.857 -0.877 1.00 4.40 O ATOM 0 H GLU A 21 9.548 -10.138 0.866 1.00 3.22 H new ATOM 0 HA GLU A 21 11.906 -9.215 1.840 1.00 42.21 H new ATOM 0 HB2 GLU A 21 9.562 -7.635 0.649 1.00 63.53 H new ATOM 0 HB3 GLU A 21 11.163 -6.951 0.854 1.00 63.53 H new ATOM 0 HG2 GLU A 21 10.490 -9.343 -0.912 1.00 70.03 H new ATOM 0 HG3 GLU A 21 10.728 -7.702 -1.478 1.00 70.03 H new ATOM 380 N VAL A 22 9.419 -7.701 3.439 1.00 72.11 N ATOM 381 CA VAL A 22 9.029 -6.776 4.516 1.00 54.45 C ATOM 382 C VAL A 22 8.889 -7.496 5.867 1.00 73.02 C ATOM 383 O VAL A 22 8.961 -6.856 6.913 1.00 73.12 O ATOM 384 CB VAL A 22 7.706 -6.028 4.140 1.00 42.03 C ATOM 385 CG1 VAL A 22 7.821 -5.420 2.723 1.00 61.31 C ATOM 386 CG2 VAL A 22 6.474 -6.946 4.252 1.00 11.11 C ATOM 0 H VAL A 22 8.628 -8.043 2.893 1.00 72.11 H new ATOM 0 HA VAL A 22 9.826 -6.041 4.626 1.00 54.45 H new ATOM 0 HB VAL A 22 7.564 -5.220 4.857 1.00 42.03 H new ATOM 0 HG11 VAL A 22 6.895 -4.902 2.473 1.00 61.31 H new ATOM 0 HG12 VAL A 22 8.650 -4.713 2.697 1.00 61.31 H new ATOM 0 HG13 VAL A 22 7.999 -6.215 1.999 1.00 61.31 H new ATOM 0 HG21 VAL A 22 5.578 -6.387 3.982 1.00 11.11 H new ATOM 0 HG22 VAL A 22 6.590 -7.794 3.577 1.00 11.11 H new ATOM 0 HG23 VAL A 22 6.382 -7.308 5.276 1.00 11.11 H new ATOM 396 N GLU A 23 8.692 -8.827 5.821 1.00 52.02 N ATOM 397 CA GLU A 23 8.679 -9.700 7.013 1.00 33.03 C ATOM 398 C GLU A 23 10.012 -9.587 7.760 1.00 2.01 C ATOM 399 O GLU A 23 10.038 -9.394 8.980 1.00 12.44 O ATOM 400 CB GLU A 23 8.423 -11.162 6.574 1.00 61.21 C ATOM 401 CG GLU A 23 8.460 -12.217 7.691 1.00 23.55 C ATOM 402 CD GLU A 23 8.253 -13.639 7.147 1.00 52.14 C ATOM 403 OE1 GLU A 23 9.244 -14.279 6.742 1.00 44.23 O ATOM 404 OE2 GLU A 23 7.099 -14.118 7.103 1.00 72.01 O ATOM 0 H GLU A 23 8.536 -9.332 4.949 1.00 52.02 H new ATOM 0 HA GLU A 23 7.882 -9.387 7.687 1.00 33.03 H new ATOM 0 HB2 GLU A 23 7.448 -11.209 6.089 1.00 61.21 H new ATOM 0 HB3 GLU A 23 9.166 -11.430 5.823 1.00 61.21 H new ATOM 0 HG2 GLU A 23 9.417 -12.163 8.209 1.00 23.55 H new ATOM 0 HG3 GLU A 23 7.687 -11.994 8.426 1.00 23.55 H new ATOM 411 N ASN A 24 11.114 -9.664 6.986 1.00 1.31 N ATOM 412 CA ASN A 24 12.485 -9.517 7.515 1.00 63.42 C ATOM 413 C ASN A 24 12.708 -8.090 8.061 1.00 70.12 C ATOM 414 O ASN A 24 13.482 -7.895 8.996 1.00 24.13 O ATOM 415 CB ASN A 24 13.548 -9.843 6.422 1.00 11.05 C ATOM 416 CG ASN A 24 13.490 -11.298 5.926 1.00 4.42 C ATOM 417 OD1 ASN A 24 14.091 -12.200 6.514 1.00 51.52 O ATOM 418 ND2 ASN A 24 12.818 -11.528 4.812 1.00 5.02 N ATOM 0 H ASN A 24 11.079 -9.829 5.980 1.00 1.31 H new ATOM 0 HA ASN A 24 12.603 -10.229 8.332 1.00 63.42 H new ATOM 0 HB2 ASN A 24 13.404 -9.172 5.575 1.00 11.05 H new ATOM 0 HB3 ASN A 24 14.542 -9.643 6.822 1.00 11.05 H new ATOM 0 HD21 ASN A 24 12.788 -12.469 4.419 1.00 5.02 H new ATOM 0 HD22 ASN A 24 12.329 -10.765 4.345 1.00 5.02 H new ATOM 425 N GLN A 25 11.996 -7.103 7.474 1.00 31.54 N ATOM 426 CA GLN A 25 12.096 -5.679 7.873 1.00 43.12 C ATOM 427 C GLN A 25 11.195 -5.358 9.097 1.00 55.42 C ATOM 428 O GLN A 25 11.165 -4.206 9.558 1.00 61.22 O ATOM 429 CB GLN A 25 11.714 -4.756 6.679 1.00 12.22 C ATOM 430 CG GLN A 25 12.381 -5.094 5.325 1.00 74.22 C ATOM 431 CD GLN A 25 13.906 -5.142 5.361 1.00 23.40 C ATOM 432 OE1 GLN A 25 14.579 -4.131 5.161 1.00 72.41 O ATOM 433 NE2 GLN A 25 14.461 -6.325 5.569 1.00 43.02 N ATOM 0 H GLN A 25 11.338 -7.269 6.713 1.00 31.54 H new ATOM 0 HA GLN A 25 13.131 -5.492 8.161 1.00 43.12 H new ATOM 0 HB2 GLN A 25 10.632 -4.792 6.548 1.00 12.22 H new ATOM 0 HB3 GLN A 25 11.969 -3.729 6.942 1.00 12.22 H new ATOM 0 HG2 GLN A 25 12.008 -6.059 4.983 1.00 74.22 H new ATOM 0 HG3 GLN A 25 12.071 -4.353 4.588 1.00 74.22 H new ATOM 0 HE21 GLN A 25 13.873 -7.143 5.732 1.00 43.02 H new ATOM 0 HE22 GLN A 25 15.477 -6.419 5.567 1.00 43.02 H new ATOM 442 N GLY A 26 10.471 -6.380 9.611 1.00 11.11 N ATOM 443 CA GLY A 26 9.605 -6.229 10.790 1.00 0.34 C ATOM 444 C GLY A 26 8.274 -5.523 10.524 1.00 72.22 C ATOM 445 O GLY A 26 7.723 -4.875 11.419 1.00 54.22 O ATOM 0 H GLY A 26 10.474 -7.322 9.220 1.00 11.11 H new ATOM 0 HA2 GLY A 26 9.400 -7.217 11.201 1.00 0.34 H new ATOM 0 HA3 GLY A 26 10.149 -5.673 11.554 1.00 0.34 H new ATOM 449 N TYR A 27 7.744 -5.648 9.299 1.00 22.12 N ATOM 450 CA TYR A 27 6.414 -5.104 8.936 1.00 52.42 C ATOM 451 C TYR A 27 5.378 -6.243 8.905 1.00 73.22 C ATOM 452 O TYR A 27 5.557 -7.233 8.182 1.00 60.43 O ATOM 453 CB TYR A 27 6.447 -4.373 7.559 1.00 52.14 C ATOM 454 CG TYR A 27 7.177 -3.020 7.565 1.00 75.23 C ATOM 455 CD1 TYR A 27 8.569 -2.951 7.556 1.00 64.24 C ATOM 456 CD2 TYR A 27 6.471 -1.805 7.590 1.00 53.43 C ATOM 457 CE1 TYR A 27 9.233 -1.736 7.562 1.00 12.34 C ATOM 458 CE2 TYR A 27 7.133 -0.588 7.596 1.00 40.43 C ATOM 459 CZ TYR A 27 8.512 -0.556 7.586 1.00 42.44 C ATOM 460 OH TYR A 27 9.178 0.658 7.598 1.00 2.04 O ATOM 0 H TYR A 27 8.217 -6.125 8.531 1.00 22.12 H new ATOM 0 HA TYR A 27 6.132 -4.371 9.692 1.00 52.42 H new ATOM 0 HB2 TYR A 27 6.926 -5.025 6.829 1.00 52.14 H new ATOM 0 HB3 TYR A 27 5.422 -4.216 7.222 1.00 52.14 H new ATOM 0 HD1 TYR A 27 9.143 -3.866 7.544 1.00 64.24 H new ATOM 0 HD2 TYR A 27 5.391 -1.820 7.605 1.00 53.43 H new ATOM 0 HE1 TYR A 27 10.313 -1.710 7.548 1.00 12.34 H new ATOM 0 HE2 TYR A 27 6.570 0.334 7.608 1.00 40.43 H new ATOM 0 HH TYR A 27 8.525 1.389 7.614 1.00 2.04 H new ATOM 470 N GLN A 28 4.307 -6.099 9.710 1.00 32.11 N ATOM 471 CA GLN A 28 3.177 -7.049 9.735 1.00 41.44 C ATOM 472 C GLN A 28 2.179 -6.689 8.623 1.00 1.44 C ATOM 473 O GLN A 28 1.647 -5.577 8.607 1.00 61.13 O ATOM 474 CB GLN A 28 2.483 -7.037 11.130 1.00 4.23 C ATOM 475 CG GLN A 28 3.292 -7.682 12.284 1.00 53.13 C ATOM 476 CD GLN A 28 3.394 -9.222 12.204 1.00 74.25 C ATOM 477 OE1 GLN A 28 3.398 -9.820 11.127 1.00 75.13 O ATOM 478 NE2 GLN A 28 3.461 -9.878 13.354 1.00 14.31 N ATOM 0 H GLN A 28 4.201 -5.321 10.361 1.00 32.11 H new ATOM 0 HA GLN A 28 3.552 -8.057 9.559 1.00 41.44 H new ATOM 0 HB2 GLN A 28 2.263 -6.004 11.398 1.00 4.23 H new ATOM 0 HB3 GLN A 28 1.528 -7.555 11.046 1.00 4.23 H new ATOM 0 HG2 GLN A 28 4.298 -7.262 12.286 1.00 53.13 H new ATOM 0 HG3 GLN A 28 2.831 -7.409 13.233 1.00 53.13 H new ATOM 0 HE21 GLN A 28 3.456 -9.364 14.235 1.00 14.31 H new ATOM 0 HE22 GLN A 28 3.517 -10.896 13.358 1.00 14.31 H new ATOM 487 N VAL A 29 1.941 -7.623 7.693 1.00 53.34 N ATOM 488 CA VAL A 29 1.095 -7.391 6.513 1.00 24.11 C ATOM 489 C VAL A 29 -0.344 -7.883 6.752 1.00 64.52 C ATOM 490 O VAL A 29 -0.558 -8.897 7.425 1.00 11.34 O ATOM 491 CB VAL A 29 1.672 -8.080 5.227 1.00 61.13 C ATOM 492 CG1 VAL A 29 0.870 -7.678 3.959 1.00 33.31 C ATOM 493 CG2 VAL A 29 3.171 -7.761 5.063 1.00 70.53 C ATOM 0 H VAL A 29 2.331 -8.565 7.737 1.00 53.34 H new ATOM 0 HA VAL A 29 1.085 -6.313 6.351 1.00 24.11 H new ATOM 0 HB VAL A 29 1.567 -9.158 5.350 1.00 61.13 H new ATOM 0 HG11 VAL A 29 1.297 -8.173 3.087 1.00 33.31 H new ATOM 0 HG12 VAL A 29 -0.171 -7.981 4.075 1.00 33.31 H new ATOM 0 HG13 VAL A 29 0.921 -6.598 3.824 1.00 33.31 H new ATOM 0 HG21 VAL A 29 3.551 -8.249 4.165 1.00 70.53 H new ATOM 0 HG22 VAL A 29 3.306 -6.683 4.975 1.00 70.53 H new ATOM 0 HG23 VAL A 29 3.718 -8.125 5.933 1.00 70.53 H new ATOM 503 N ARG A 30 -1.314 -7.138 6.204 1.00 64.12 N ATOM 504 CA ARG A 30 -2.727 -7.530 6.166 1.00 53.03 C ATOM 505 C ARG A 30 -3.156 -7.641 4.696 1.00 43.44 C ATOM 506 O ARG A 30 -3.079 -6.653 3.955 1.00 4.33 O ATOM 507 CB ARG A 30 -3.619 -6.481 6.885 1.00 15.04 C ATOM 508 CG ARG A 30 -3.310 -6.239 8.376 1.00 21.13 C ATOM 509 CD ARG A 30 -3.372 -7.511 9.234 1.00 35.24 C ATOM 510 NE ARG A 30 -3.349 -7.187 10.669 1.00 54.41 N ATOM 511 CZ ARG A 30 -2.607 -7.795 11.608 1.00 54.30 C ATOM 512 NH1 ARG A 30 -1.780 -8.792 11.304 1.00 51.32 N ATOM 513 NH2 ARG A 30 -2.723 -7.420 12.871 1.00 44.33 N ATOM 0 H ARG A 30 -1.135 -6.233 5.769 1.00 64.12 H new ATOM 0 HA ARG A 30 -2.847 -8.484 6.680 1.00 53.03 H new ATOM 0 HB2 ARG A 30 -3.527 -5.532 6.357 1.00 15.04 H new ATOM 0 HB3 ARG A 30 -4.659 -6.796 6.796 1.00 15.04 H new ATOM 0 HG2 ARG A 30 -2.317 -5.799 8.465 1.00 21.13 H new ATOM 0 HG3 ARG A 30 -4.018 -5.510 8.771 1.00 21.13 H new ATOM 0 HD2 ARG A 30 -4.279 -8.068 8.999 1.00 35.24 H new ATOM 0 HD3 ARG A 30 -2.529 -8.158 8.991 1.00 35.24 H new ATOM 0 HE ARG A 30 -3.955 -6.428 10.980 1.00 54.41 H new ATOM 0 HH11 ARG A 30 -1.699 -9.111 10.339 1.00 51.32 H new ATOM 0 HH12 ARG A 30 -1.227 -9.237 12.036 1.00 51.32 H new ATOM 0 HH21 ARG A 30 -3.372 -6.675 13.124 1.00 44.33 H new ATOM 0 HH22 ARG A 30 -2.164 -7.876 13.592 1.00 44.33 H new ATOM 527 N ASP A 31 -3.560 -8.844 4.279 1.00 14.25 N ATOM 528 CA ASP A 31 -4.178 -9.072 2.964 1.00 30.12 C ATOM 529 C ASP A 31 -5.681 -8.758 3.081 1.00 13.42 C ATOM 530 O ASP A 31 -6.405 -9.414 3.847 1.00 75.21 O ATOM 531 CB ASP A 31 -3.953 -10.538 2.512 1.00 54.22 C ATOM 532 CG ASP A 31 -2.460 -10.912 2.412 1.00 55.24 C ATOM 533 OD1 ASP A 31 -1.857 -10.731 1.333 1.00 3.44 O ATOM 534 OD2 ASP A 31 -1.884 -11.395 3.414 1.00 65.21 O ATOM 0 H ASP A 31 -3.469 -9.690 4.842 1.00 14.25 H new ATOM 0 HA ASP A 31 -3.724 -8.424 2.214 1.00 30.12 H new ATOM 0 HB2 ASP A 31 -4.444 -11.210 3.216 1.00 54.22 H new ATOM 0 HB3 ASP A 31 -4.427 -10.691 1.542 1.00 54.22 H new ATOM 539 N VAL A 32 -6.139 -7.746 2.338 1.00 62.12 N ATOM 540 CA VAL A 32 -7.523 -7.271 2.380 1.00 70.20 C ATOM 541 C VAL A 32 -8.148 -7.489 0.997 1.00 74.23 C ATOM 542 O VAL A 32 -7.695 -6.933 -0.002 1.00 12.23 O ATOM 543 CB VAL A 32 -7.609 -5.750 2.798 1.00 21.02 C ATOM 544 CG1 VAL A 32 -9.076 -5.255 2.805 1.00 10.24 C ATOM 545 CG2 VAL A 32 -6.926 -5.515 4.174 1.00 41.44 C ATOM 0 H VAL A 32 -5.552 -7.229 1.684 1.00 62.12 H new ATOM 0 HA VAL A 32 -8.071 -7.834 3.136 1.00 70.20 H new ATOM 0 HB VAL A 32 -7.069 -5.165 2.054 1.00 21.02 H new ATOM 0 HG11 VAL A 32 -9.104 -4.205 3.096 1.00 10.24 H new ATOM 0 HG12 VAL A 32 -9.502 -5.367 1.808 1.00 10.24 H new ATOM 0 HG13 VAL A 32 -9.656 -5.844 3.516 1.00 10.24 H new ATOM 0 HG21 VAL A 32 -6.998 -4.461 4.441 1.00 41.44 H new ATOM 0 HG22 VAL A 32 -7.424 -6.116 4.935 1.00 41.44 H new ATOM 0 HG23 VAL A 32 -5.877 -5.803 4.113 1.00 41.44 H new ATOM 555 N ASN A 33 -9.158 -8.352 0.962 1.00 44.31 N ATOM 556 CA ASN A 33 -9.991 -8.615 -0.217 1.00 20.43 C ATOM 557 C ASN A 33 -11.460 -8.716 0.238 1.00 55.32 C ATOM 558 O ASN A 33 -12.327 -9.204 -0.491 1.00 52.01 O ATOM 559 CB ASN A 33 -9.490 -9.904 -0.949 1.00 21.14 C ATOM 560 CG ASN A 33 -9.275 -11.120 -0.027 1.00 3.14 C ATOM 561 OD1 ASN A 33 -9.947 -11.288 0.993 1.00 12.23 O ATOM 562 ND2 ASN A 33 -8.326 -11.975 -0.384 1.00 1.15 N ATOM 0 H ASN A 33 -9.431 -8.906 1.774 1.00 44.31 H new ATOM 0 HA ASN A 33 -9.916 -7.802 -0.939 1.00 20.43 H new ATOM 0 HB2 ASN A 33 -10.212 -10.172 -1.720 1.00 21.14 H new ATOM 0 HB3 ASN A 33 -8.552 -9.678 -1.455 1.00 21.14 H new ATOM 0 HD21 ASN A 33 -8.137 -12.796 0.191 1.00 1.15 H new ATOM 0 HD22 ASN A 33 -7.785 -11.811 -1.233 1.00 1.15 H new ATOM 569 N ASP A 34 -11.716 -8.196 1.464 1.00 42.03 N ATOM 570 CA ASP A 34 -13.021 -8.249 2.136 1.00 63.25 C ATOM 571 C ASP A 34 -13.267 -6.944 2.937 1.00 12.54 C ATOM 572 O ASP A 34 -12.347 -6.428 3.595 1.00 72.23 O ATOM 573 CB ASP A 34 -13.054 -9.495 3.063 1.00 44.20 C ATOM 574 CG ASP A 34 -14.351 -9.624 3.869 1.00 42.22 C ATOM 575 OD1 ASP A 34 -15.348 -10.164 3.337 1.00 41.34 O ATOM 576 OD2 ASP A 34 -14.384 -9.179 5.028 1.00 72.22 O ATOM 0 H ASP A 34 -11.002 -7.721 2.016 1.00 42.03 H new ATOM 0 HA ASP A 34 -13.819 -8.334 1.398 1.00 63.25 H new ATOM 0 HB2 ASP A 34 -12.921 -10.392 2.458 1.00 44.20 H new ATOM 0 HB3 ASP A 34 -12.211 -9.448 3.752 1.00 44.20 H new ATOM 581 N SER A 35 -14.509 -6.421 2.868 1.00 42.50 N ATOM 582 CA SER A 35 -14.923 -5.173 3.544 1.00 53.22 C ATOM 583 C SER A 35 -14.854 -5.265 5.085 1.00 62.42 C ATOM 584 O SER A 35 -14.394 -4.318 5.727 1.00 1.44 O ATOM 585 CB SER A 35 -16.347 -4.798 3.094 1.00 54.41 C ATOM 586 OG SER A 35 -16.786 -3.578 3.673 1.00 25.22 O ATOM 0 H SER A 35 -15.261 -6.858 2.335 1.00 42.50 H new ATOM 0 HA SER A 35 -14.216 -4.396 3.252 1.00 53.22 H new ATOM 0 HB2 SER A 35 -16.373 -4.713 2.008 1.00 54.41 H new ATOM 0 HB3 SER A 35 -17.036 -5.597 3.368 1.00 54.41 H new ATOM 0 HG SER A 35 -17.693 -3.375 3.361 1.00 25.22 H new ATOM 592 N ASP A 36 -15.309 -6.395 5.665 1.00 25.42 N ATOM 593 CA ASP A 36 -15.297 -6.589 7.139 1.00 32.12 C ATOM 594 C ASP A 36 -13.849 -6.630 7.670 1.00 4.10 C ATOM 595 O ASP A 36 -13.581 -6.159 8.774 1.00 34.33 O ATOM 596 CB ASP A 36 -16.068 -7.870 7.568 1.00 32.54 C ATOM 597 CG ASP A 36 -17.580 -7.817 7.271 1.00 25.41 C ATOM 598 OD1 ASP A 36 -18.305 -7.057 7.949 1.00 35.34 O ATOM 599 OD2 ASP A 36 -18.056 -8.521 6.351 1.00 21.54 O ATOM 0 H ASP A 36 -15.688 -7.185 5.143 1.00 25.42 H new ATOM 0 HA ASP A 36 -15.813 -5.736 7.579 1.00 32.12 H new ATOM 0 HB2 ASP A 36 -15.637 -8.730 7.056 1.00 32.54 H new ATOM 0 HB3 ASP A 36 -15.923 -8.029 8.636 1.00 32.54 H new ATOM 604 N GLU A 37 -12.919 -7.161 6.855 1.00 51.32 N ATOM 605 CA GLU A 37 -11.480 -7.156 7.174 1.00 70.21 C ATOM 606 C GLU A 37 -10.946 -5.716 7.213 1.00 53.34 C ATOM 607 O GLU A 37 -10.266 -5.343 8.162 1.00 11.25 O ATOM 608 CB GLU A 37 -10.692 -8.008 6.144 1.00 22.14 C ATOM 609 CG GLU A 37 -10.873 -9.526 6.314 1.00 30.30 C ATOM 610 CD GLU A 37 -10.260 -10.052 7.628 1.00 72.20 C ATOM 611 OE1 GLU A 37 -9.036 -10.302 7.661 1.00 43.34 O ATOM 612 OE2 GLU A 37 -10.989 -10.195 8.636 1.00 63.22 O ATOM 0 H GLU A 37 -13.142 -7.603 5.963 1.00 51.32 H new ATOM 0 HA GLU A 37 -11.341 -7.600 8.160 1.00 70.21 H new ATOM 0 HB2 GLU A 37 -11.006 -7.726 5.139 1.00 22.14 H new ATOM 0 HB3 GLU A 37 -9.632 -7.768 6.226 1.00 22.14 H new ATOM 0 HG2 GLU A 37 -11.936 -9.766 6.291 1.00 30.30 H new ATOM 0 HG3 GLU A 37 -10.412 -10.040 5.471 1.00 30.30 H new ATOM 619 N LEU A 38 -11.315 -4.918 6.189 1.00 64.54 N ATOM 620 CA LEU A 38 -10.918 -3.493 6.061 1.00 62.24 C ATOM 621 C LEU A 38 -11.324 -2.686 7.308 1.00 31.45 C ATOM 622 O LEU A 38 -10.496 -1.992 7.916 1.00 34.10 O ATOM 623 CB LEU A 38 -11.565 -2.900 4.761 1.00 24.15 C ATOM 624 CG LEU A 38 -11.411 -1.345 4.487 1.00 61.51 C ATOM 625 CD1 LEU A 38 -11.330 -1.053 2.982 1.00 70.00 C ATOM 626 CD2 LEU A 38 -12.569 -0.512 5.092 1.00 53.41 C ATOM 0 H LEU A 38 -11.901 -5.243 5.420 1.00 64.54 H new ATOM 0 HA LEU A 38 -9.833 -3.427 5.984 1.00 62.24 H new ATOM 0 HB2 LEU A 38 -11.144 -3.431 3.908 1.00 24.15 H new ATOM 0 HB3 LEU A 38 -12.630 -3.130 4.785 1.00 24.15 H new ATOM 0 HG LEU A 38 -10.483 -1.049 4.976 1.00 61.51 H new ATOM 0 HD11 LEU A 38 -11.225 0.020 2.825 1.00 70.00 H new ATOM 0 HD12 LEU A 38 -10.468 -1.568 2.557 1.00 70.00 H new ATOM 0 HD13 LEU A 38 -12.239 -1.404 2.494 1.00 70.00 H new ATOM 0 HD21 LEU A 38 -12.410 0.544 4.873 1.00 53.41 H new ATOM 0 HD22 LEU A 38 -13.515 -0.835 4.657 1.00 53.41 H new ATOM 0 HD23 LEU A 38 -12.597 -0.659 6.172 1.00 53.41 H new ATOM 638 N LYS A 39 -12.601 -2.820 7.684 1.00 21.42 N ATOM 639 CA LYS A 39 -13.215 -2.047 8.771 1.00 31.35 C ATOM 640 C LYS A 39 -12.656 -2.465 10.147 1.00 64.22 C ATOM 641 O LYS A 39 -12.380 -1.611 10.998 1.00 1.03 O ATOM 642 CB LYS A 39 -14.752 -2.228 8.713 1.00 74.12 C ATOM 643 CG LYS A 39 -15.408 -1.680 7.416 1.00 22.23 C ATOM 644 CD LYS A 39 -16.906 -2.055 7.289 1.00 21.21 C ATOM 645 CE LYS A 39 -17.776 -1.473 8.413 1.00 65.03 C ATOM 646 NZ LYS A 39 -19.195 -1.906 8.290 1.00 72.02 N ATOM 0 H LYS A 39 -13.244 -3.474 7.238 1.00 21.42 H new ATOM 0 HA LYS A 39 -12.971 -0.993 8.639 1.00 31.35 H new ATOM 0 HB2 LYS A 39 -14.986 -3.289 8.805 1.00 74.12 H new ATOM 0 HB3 LYS A 39 -15.198 -1.728 9.572 1.00 74.12 H new ATOM 0 HG2 LYS A 39 -15.308 -0.595 7.396 1.00 22.23 H new ATOM 0 HG3 LYS A 39 -14.868 -2.066 6.551 1.00 22.23 H new ATOM 0 HD2 LYS A 39 -17.282 -1.702 6.329 1.00 21.21 H new ATOM 0 HD3 LYS A 39 -17.003 -3.141 7.289 1.00 21.21 H new ATOM 0 HE2 LYS A 39 -17.382 -1.788 9.379 1.00 65.03 H new ATOM 0 HE3 LYS A 39 -17.724 -0.385 8.387 1.00 65.03 H new ATOM 0 HZ1 LYS A 39 -19.752 -1.494 9.065 1.00 72.02 H new ATOM 0 HZ2 LYS A 39 -19.579 -1.584 7.379 1.00 72.02 H new ATOM 0 HZ3 LYS A 39 -19.247 -2.944 8.340 1.00 72.02 H new ATOM 660 N LYS A 40 -12.467 -3.785 10.342 1.00 60.33 N ATOM 661 CA LYS A 40 -11.946 -4.345 11.605 1.00 1.43 C ATOM 662 C LYS A 40 -10.440 -4.050 11.781 1.00 1.53 C ATOM 663 O LYS A 40 -9.944 -4.027 12.918 1.00 54.12 O ATOM 664 CB LYS A 40 -12.262 -5.865 11.710 1.00 15.10 C ATOM 665 CG LYS A 40 -13.750 -6.170 12.047 1.00 24.23 C ATOM 666 CD LYS A 40 -14.060 -7.675 12.287 1.00 1.33 C ATOM 667 CE LYS A 40 -14.097 -8.538 11.005 1.00 14.44 C ATOM 668 NZ LYS A 40 -12.783 -8.612 10.299 1.00 12.53 N ATOM 0 H LYS A 40 -12.670 -4.490 9.633 1.00 60.33 H new ATOM 0 HA LYS A 40 -12.458 -3.848 12.429 1.00 1.43 H new ATOM 0 HB2 LYS A 40 -12.006 -6.347 10.766 1.00 15.10 H new ATOM 0 HB3 LYS A 40 -11.626 -6.308 12.477 1.00 15.10 H new ATOM 0 HG2 LYS A 40 -14.031 -5.607 12.937 1.00 24.23 H new ATOM 0 HG3 LYS A 40 -14.376 -5.808 11.231 1.00 24.23 H new ATOM 0 HD2 LYS A 40 -13.309 -8.084 12.963 1.00 1.33 H new ATOM 0 HD3 LYS A 40 -15.022 -7.758 12.793 1.00 1.33 H new ATOM 0 HE2 LYS A 40 -14.418 -9.547 11.265 1.00 14.44 H new ATOM 0 HE3 LYS A 40 -14.844 -8.131 10.324 1.00 14.44 H new ATOM 0 HZ1 LYS A 40 -12.726 -9.502 9.763 1.00 12.53 H new ATOM 0 HZ2 LYS A 40 -12.694 -7.808 9.645 1.00 12.53 H new ATOM 0 HZ3 LYS A 40 -12.012 -8.578 10.996 1.00 12.53 H new ATOM 682 N GLU A 41 -9.708 -3.818 10.666 1.00 41.04 N ATOM 683 CA GLU A 41 -8.325 -3.300 10.736 1.00 42.41 C ATOM 684 C GLU A 41 -8.331 -1.854 11.247 1.00 41.11 C ATOM 685 O GLU A 41 -7.559 -1.512 12.143 1.00 51.14 O ATOM 686 CB GLU A 41 -7.573 -3.387 9.371 1.00 72.53 C ATOM 687 CG GLU A 41 -7.250 -4.825 8.895 1.00 61.44 C ATOM 688 CD GLU A 41 -6.725 -5.746 10.013 1.00 2.41 C ATOM 689 OE1 GLU A 41 -5.732 -5.394 10.685 1.00 35.33 O ATOM 690 OE2 GLU A 41 -7.319 -6.823 10.249 1.00 2.30 O ATOM 0 H GLU A 41 -10.049 -3.980 9.718 1.00 41.04 H new ATOM 0 HA GLU A 41 -7.782 -3.937 11.434 1.00 42.41 H new ATOM 0 HB2 GLU A 41 -8.176 -2.894 8.608 1.00 72.53 H new ATOM 0 HB3 GLU A 41 -6.641 -2.828 9.450 1.00 72.53 H new ATOM 0 HG2 GLU A 41 -8.149 -5.266 8.466 1.00 61.44 H new ATOM 0 HG3 GLU A 41 -6.507 -4.776 8.099 1.00 61.44 H new ATOM 697 N MET A 42 -9.264 -1.040 10.715 1.00 33.13 N ATOM 698 CA MET A 42 -9.409 0.385 11.089 1.00 3.01 C ATOM 699 C MET A 42 -9.815 0.554 12.549 1.00 22.12 C ATOM 700 O MET A 42 -9.541 1.593 13.150 1.00 40.20 O ATOM 701 CB MET A 42 -10.427 1.091 10.161 1.00 13.34 C ATOM 702 CG MET A 42 -9.897 1.274 8.752 1.00 62.30 C ATOM 703 SD MET A 42 -8.370 2.229 8.771 1.00 34.05 S ATOM 704 CE MET A 42 -7.827 2.006 7.096 1.00 22.44 C ATOM 0 H MET A 42 -9.938 -1.349 10.015 1.00 33.13 H new ATOM 0 HA MET A 42 -8.432 0.853 10.964 1.00 3.01 H new ATOM 0 HB2 MET A 42 -11.348 0.509 10.127 1.00 13.34 H new ATOM 0 HB3 MET A 42 -10.681 2.065 10.580 1.00 13.34 H new ATOM 0 HG2 MET A 42 -9.718 0.301 8.295 1.00 62.30 H new ATOM 0 HG3 MET A 42 -10.643 1.781 8.140 1.00 62.30 H new ATOM 0 HE1 MET A 42 -6.774 1.723 7.089 1.00 22.44 H new ATOM 0 HE2 MET A 42 -8.417 1.220 6.624 1.00 22.44 H new ATOM 0 HE3 MET A 42 -7.956 2.937 6.545 1.00 22.44 H new ATOM 714 N LYS A 43 -10.478 -0.472 13.105 1.00 33.22 N ATOM 715 CA LYS A 43 -10.769 -0.542 14.541 1.00 14.32 C ATOM 716 C LYS A 43 -9.455 -0.582 15.340 1.00 5.32 C ATOM 717 O LYS A 43 -9.170 0.325 16.112 1.00 24.42 O ATOM 718 CB LYS A 43 -11.664 -1.773 14.857 1.00 33.34 C ATOM 719 CG LYS A 43 -13.107 -1.672 14.310 1.00 64.00 C ATOM 720 CD LYS A 43 -13.922 -0.519 14.948 1.00 73.55 C ATOM 721 CE LYS A 43 -14.076 -0.671 16.473 1.00 30.12 C ATOM 722 NZ LYS A 43 -14.831 0.463 17.071 1.00 22.02 N ATOM 0 H LYS A 43 -10.825 -1.271 12.574 1.00 33.22 H new ATOM 0 HA LYS A 43 -11.321 0.350 14.838 1.00 14.32 H new ATOM 0 HB2 LYS A 43 -11.193 -2.665 14.443 1.00 33.34 H new ATOM 0 HB3 LYS A 43 -11.707 -1.908 15.938 1.00 33.34 H new ATOM 0 HG2 LYS A 43 -13.070 -1.528 13.230 1.00 64.00 H new ATOM 0 HG3 LYS A 43 -13.623 -2.615 14.488 1.00 64.00 H new ATOM 0 HD2 LYS A 43 -13.433 0.430 14.729 1.00 73.55 H new ATOM 0 HD3 LYS A 43 -14.910 -0.481 14.489 1.00 73.55 H new ATOM 0 HE2 LYS A 43 -14.590 -1.606 16.694 1.00 30.12 H new ATOM 0 HE3 LYS A 43 -13.090 -0.733 16.933 1.00 30.12 H new ATOM 0 HZ1 LYS A 43 -14.913 0.322 18.098 1.00 22.02 H new ATOM 0 HZ2 LYS A 43 -14.328 1.353 16.882 1.00 22.02 H new ATOM 0 HZ3 LYS A 43 -15.781 0.507 16.651 1.00 22.02 H new ATOM 736 N LYS A 44 -8.622 -1.591 15.042 1.00 1.52 N ATOM 737 CA LYS A 44 -7.375 -1.872 15.790 1.00 62.12 C ATOM 738 C LYS A 44 -6.332 -0.741 15.635 1.00 75.30 C ATOM 739 O LYS A 44 -5.579 -0.445 16.578 1.00 53.01 O ATOM 740 CB LYS A 44 -6.795 -3.223 15.328 1.00 34.32 C ATOM 741 CG LYS A 44 -7.739 -4.407 15.625 1.00 11.22 C ATOM 742 CD LYS A 44 -7.074 -5.774 15.413 1.00 24.43 C ATOM 743 CE LYS A 44 -6.726 -6.057 13.944 1.00 53.10 C ATOM 744 NZ LYS A 44 -7.936 -6.142 13.084 1.00 65.33 N ATOM 0 H LYS A 44 -8.790 -2.240 14.274 1.00 1.52 H new ATOM 0 HA LYS A 44 -7.620 -1.924 16.851 1.00 62.12 H new ATOM 0 HB2 LYS A 44 -6.596 -3.182 14.257 1.00 34.32 H new ATOM 0 HB3 LYS A 44 -5.839 -3.392 15.823 1.00 34.32 H new ATOM 0 HG2 LYS A 44 -8.089 -4.336 16.655 1.00 11.22 H new ATOM 0 HG3 LYS A 44 -8.617 -4.333 14.984 1.00 11.22 H new ATOM 0 HD2 LYS A 44 -6.164 -5.825 16.011 1.00 24.43 H new ATOM 0 HD3 LYS A 44 -7.740 -6.555 15.779 1.00 24.43 H new ATOM 0 HE2 LYS A 44 -6.072 -5.270 13.570 1.00 53.10 H new ATOM 0 HE3 LYS A 44 -6.170 -6.992 13.878 1.00 53.10 H new ATOM 0 HZ1 LYS A 44 -7.667 -6.483 12.139 1.00 65.33 H new ATOM 0 HZ2 LYS A 44 -8.618 -6.802 13.509 1.00 65.33 H new ATOM 0 HZ3 LYS A 44 -8.370 -5.201 13.002 1.00 65.33 H new ATOM 758 N LEU A 45 -6.315 -0.114 14.442 1.00 14.30 N ATOM 759 CA LEU A 45 -5.395 0.984 14.111 1.00 2.13 C ATOM 760 C LEU A 45 -5.813 2.270 14.852 1.00 63.21 C ATOM 761 O LEU A 45 -5.003 2.859 15.574 1.00 13.22 O ATOM 762 CB LEU A 45 -5.347 1.211 12.569 1.00 45.10 C ATOM 763 CG LEU A 45 -4.798 0.017 11.714 1.00 25.34 C ATOM 764 CD1 LEU A 45 -4.896 0.319 10.197 1.00 21.34 C ATOM 765 CD2 LEU A 45 -3.357 -0.373 12.134 1.00 62.22 C ATOM 0 H LEU A 45 -6.945 -0.360 13.678 1.00 14.30 H new ATOM 0 HA LEU A 45 -4.391 0.714 14.439 1.00 2.13 H new ATOM 0 HB2 LEU A 45 -6.354 1.445 12.225 1.00 45.10 H new ATOM 0 HB3 LEU A 45 -4.731 2.088 12.370 1.00 45.10 H new ATOM 0 HG LEU A 45 -5.431 -0.848 11.914 1.00 25.34 H new ATOM 0 HD11 LEU A 45 -4.507 -0.528 9.632 1.00 21.34 H new ATOM 0 HD12 LEU A 45 -5.938 0.489 9.926 1.00 21.34 H new ATOM 0 HD13 LEU A 45 -4.311 1.209 9.965 1.00 21.34 H new ATOM 0 HD21 LEU A 45 -3.011 -1.204 11.519 1.00 62.22 H new ATOM 0 HD22 LEU A 45 -2.694 0.481 11.996 1.00 62.22 H new ATOM 0 HD23 LEU A 45 -3.352 -0.671 13.183 1.00 62.22 H new ATOM 777 N ALA A 46 -7.097 2.664 14.709 1.00 0.24 N ATOM 778 CA ALA A 46 -7.627 3.904 15.321 1.00 11.42 C ATOM 779 C ALA A 46 -7.617 3.842 16.860 1.00 70.03 C ATOM 780 O ALA A 46 -7.408 4.857 17.529 1.00 15.54 O ATOM 781 CB ALA A 46 -9.038 4.200 14.805 1.00 15.14 C ATOM 0 H ALA A 46 -7.789 2.140 14.173 1.00 0.24 H new ATOM 0 HA ALA A 46 -6.965 4.718 15.025 1.00 11.42 H new ATOM 0 HB1 ALA A 46 -9.410 5.115 15.267 1.00 15.14 H new ATOM 0 HB2 ALA A 46 -9.011 4.325 13.723 1.00 15.14 H new ATOM 0 HB3 ALA A 46 -9.699 3.371 15.058 1.00 15.14 H new ATOM 888 N LYS A 53 3.953 -1.227 12.795 1.00 53.54 N ATOM 889 CA LYS A 53 4.055 -0.730 11.423 1.00 23.53 C ATOM 890 C LYS A 53 3.426 -1.751 10.464 1.00 3.34 C ATOM 891 O LYS A 53 4.034 -2.785 10.145 1.00 23.15 O ATOM 892 CB LYS A 53 5.543 -0.442 11.066 1.00 55.30 C ATOM 893 CG LYS A 53 6.334 0.320 12.165 1.00 72.31 C ATOM 894 CD LYS A 53 5.656 1.634 12.637 1.00 3.55 C ATOM 895 CE LYS A 53 5.535 2.679 11.522 1.00 50.52 C ATOM 896 NZ LYS A 53 6.863 3.070 10.990 1.00 70.43 N ATOM 0 HA LYS A 53 3.510 0.209 11.327 1.00 23.53 H new ATOM 0 HB2 LYS A 53 6.045 -1.389 10.865 1.00 55.30 H new ATOM 0 HB3 LYS A 53 5.576 0.138 10.144 1.00 55.30 H new ATOM 0 HG2 LYS A 53 6.466 -0.337 13.024 1.00 72.31 H new ATOM 0 HG3 LYS A 53 7.329 0.553 11.786 1.00 72.31 H new ATOM 0 HD2 LYS A 53 4.662 1.406 13.023 1.00 3.55 H new ATOM 0 HD3 LYS A 53 6.229 2.056 13.462 1.00 3.55 H new ATOM 0 HE2 LYS A 53 4.922 2.279 10.714 1.00 50.52 H new ATOM 0 HE3 LYS A 53 5.022 3.561 11.904 1.00 50.52 H new ATOM 0 HZ1 LYS A 53 6.827 4.054 10.655 1.00 70.43 H new ATOM 0 HZ2 LYS A 53 7.577 2.986 11.742 1.00 70.43 H new ATOM 0 HZ3 LYS A 53 7.118 2.444 10.199 1.00 70.43 H new ATOM 910 N ILE A 54 2.188 -1.466 10.035 1.00 31.41 N ATOM 911 CA ILE A 54 1.367 -2.413 9.280 1.00 64.42 C ATOM 912 C ILE A 54 1.415 -2.072 7.791 1.00 32.45 C ATOM 913 O ILE A 54 1.100 -0.951 7.390 1.00 42.12 O ATOM 914 CB ILE A 54 -0.132 -2.426 9.782 1.00 53.12 C ATOM 915 CG1 ILE A 54 -0.219 -2.782 11.301 1.00 34.10 C ATOM 916 CG2 ILE A 54 -1.004 -3.396 8.949 1.00 53.15 C ATOM 917 CD1 ILE A 54 0.332 -4.150 11.686 1.00 73.34 C ATOM 0 H ILE A 54 1.731 -0.570 10.204 1.00 31.41 H new ATOM 0 HA ILE A 54 1.778 -3.409 9.443 1.00 64.42 H new ATOM 0 HB ILE A 54 -0.524 -1.418 9.644 1.00 53.12 H new ATOM 0 HG12 ILE A 54 0.319 -2.021 11.866 1.00 34.10 H new ATOM 0 HG13 ILE A 54 -1.263 -2.730 11.609 1.00 34.10 H new ATOM 0 HG21 ILE A 54 -2.028 -3.378 9.323 1.00 53.15 H new ATOM 0 HG22 ILE A 54 -0.994 -3.087 7.904 1.00 53.15 H new ATOM 0 HG23 ILE A 54 -0.605 -4.407 9.032 1.00 53.15 H new ATOM 0 HD11 ILE A 54 0.223 -4.297 12.761 1.00 73.34 H new ATOM 0 HD12 ILE A 54 -0.219 -4.927 11.156 1.00 73.34 H new ATOM 0 HD13 ILE A 54 1.387 -4.206 11.417 1.00 73.34 H new ATOM 929 N LEU A 55 1.847 -3.038 6.988 1.00 50.15 N ATOM 930 CA LEU A 55 1.747 -2.967 5.534 1.00 61.12 C ATOM 931 C LEU A 55 0.371 -3.535 5.143 1.00 24.23 C ATOM 932 O LEU A 55 0.005 -4.620 5.586 1.00 1.35 O ATOM 933 CB LEU A 55 2.931 -3.750 4.882 1.00 21.15 C ATOM 934 CG LEU A 55 3.198 -3.497 3.351 1.00 65.43 C ATOM 935 CD1 LEU A 55 4.630 -3.880 2.965 1.00 22.31 C ATOM 936 CD2 LEU A 55 2.200 -4.222 2.431 1.00 24.42 C ATOM 0 H LEU A 55 2.279 -3.897 7.329 1.00 50.15 H new ATOM 0 HA LEU A 55 1.822 -1.942 5.171 1.00 61.12 H new ATOM 0 HB2 LEU A 55 3.841 -3.505 5.430 1.00 21.15 H new ATOM 0 HB3 LEU A 55 2.751 -4.816 5.023 1.00 21.15 H new ATOM 0 HG LEU A 55 3.056 -2.427 3.202 1.00 65.43 H new ATOM 0 HD11 LEU A 55 4.782 -3.694 1.902 1.00 22.31 H new ATOM 0 HD12 LEU A 55 5.335 -3.282 3.543 1.00 22.31 H new ATOM 0 HD13 LEU A 55 4.793 -4.937 3.175 1.00 22.31 H new ATOM 0 HD21 LEU A 55 2.441 -4.005 1.390 1.00 24.42 H new ATOM 0 HD22 LEU A 55 2.263 -5.297 2.602 1.00 24.42 H new ATOM 0 HD23 LEU A 55 1.189 -3.878 2.649 1.00 24.42 H new ATOM 948 N ILE A 56 -0.404 -2.789 4.357 1.00 11.34 N ATOM 949 CA ILE A 56 -1.707 -3.248 3.861 1.00 51.23 C ATOM 950 C ILE A 56 -1.583 -3.575 2.367 1.00 42.14 C ATOM 951 O ILE A 56 -1.341 -2.674 1.554 1.00 23.51 O ATOM 952 CB ILE A 56 -2.832 -2.161 4.060 1.00 11.25 C ATOM 953 CG1 ILE A 56 -2.994 -1.728 5.560 1.00 72.23 C ATOM 954 CG2 ILE A 56 -4.188 -2.645 3.478 1.00 4.20 C ATOM 955 CD1 ILE A 56 -3.616 -2.767 6.485 1.00 63.50 C ATOM 0 H ILE A 56 -0.150 -1.852 4.045 1.00 11.34 H new ATOM 0 HA ILE A 56 -1.993 -4.132 4.432 1.00 51.23 H new ATOM 0 HB ILE A 56 -2.512 -1.278 3.506 1.00 11.25 H new ATOM 0 HG12 ILE A 56 -2.011 -1.463 5.950 1.00 72.23 H new ATOM 0 HG13 ILE A 56 -3.605 -0.826 5.594 1.00 72.23 H new ATOM 0 HG21 ILE A 56 -4.945 -1.875 3.630 1.00 4.20 H new ATOM 0 HG22 ILE A 56 -4.077 -2.840 2.411 1.00 4.20 H new ATOM 0 HG23 ILE A 56 -4.495 -3.560 3.984 1.00 4.20 H new ATOM 0 HD11 ILE A 56 -3.680 -2.363 7.495 1.00 63.50 H new ATOM 0 HD12 ILE A 56 -4.616 -3.018 6.130 1.00 63.50 H new ATOM 0 HD13 ILE A 56 -2.998 -3.665 6.492 1.00 63.50 H new ATOM 967 N ILE A 57 -1.699 -4.858 2.016 1.00 61.21 N ATOM 968 CA ILE A 57 -1.902 -5.283 0.624 1.00 33.15 C ATOM 969 C ILE A 57 -3.404 -5.459 0.425 1.00 41.22 C ATOM 970 O ILE A 57 -4.011 -6.318 1.062 1.00 13.31 O ATOM 971 CB ILE A 57 -1.136 -6.619 0.271 1.00 33.20 C ATOM 972 CG1 ILE A 57 0.402 -6.390 0.341 1.00 43.10 C ATOM 973 CG2 ILE A 57 -1.557 -7.174 -1.122 1.00 43.10 C ATOM 974 CD1 ILE A 57 1.249 -7.631 0.160 1.00 52.00 C ATOM 0 H ILE A 57 -1.656 -5.629 2.682 1.00 61.21 H new ATOM 0 HA ILE A 57 -1.494 -4.525 -0.045 1.00 33.15 H new ATOM 0 HB ILE A 57 -1.411 -7.371 1.011 1.00 33.20 H new ATOM 0 HG12 ILE A 57 0.680 -5.665 -0.424 1.00 43.10 H new ATOM 0 HG13 ILE A 57 0.643 -5.943 1.306 1.00 43.10 H new ATOM 0 HG21 ILE A 57 -1.008 -8.093 -1.328 1.00 43.10 H new ATOM 0 HG22 ILE A 57 -2.627 -7.382 -1.123 1.00 43.10 H new ATOM 0 HG23 ILE A 57 -1.331 -6.436 -1.891 1.00 43.10 H new ATOM 0 HD11 ILE A 57 2.304 -7.364 0.226 1.00 52.00 H new ATOM 0 HD12 ILE A 57 1.008 -8.353 0.940 1.00 52.00 H new ATOM 0 HD13 ILE A 57 1.046 -8.071 -0.816 1.00 52.00 H new ATOM 986 N SER A 58 -4.001 -4.627 -0.426 1.00 23.53 N ATOM 987 CA SER A 58 -5.420 -4.724 -0.759 1.00 32.51 C ATOM 988 C SER A 58 -5.503 -5.156 -2.221 1.00 13.14 C ATOM 989 O SER A 58 -4.976 -4.460 -3.093 1.00 1.33 O ATOM 990 CB SER A 58 -6.138 -3.373 -0.510 1.00 33.33 C ATOM 991 OG SER A 58 -7.533 -3.482 -0.734 1.00 22.25 O ATOM 0 H SER A 58 -3.515 -3.868 -0.903 1.00 23.53 H new ATOM 0 HA SER A 58 -5.925 -5.453 -0.126 1.00 32.51 H new ATOM 0 HB2 SER A 58 -5.956 -3.046 0.514 1.00 33.33 H new ATOM 0 HB3 SER A 58 -5.721 -2.610 -1.167 1.00 33.33 H new ATOM 0 HG SER A 58 -7.741 -3.194 -1.647 1.00 22.25 H new ATOM 997 N ASN A 59 -6.111 -6.332 -2.470 1.00 20.32 N ATOM 998 CA ASN A 59 -6.233 -6.907 -3.825 1.00 54.43 C ATOM 999 C ASN A 59 -7.180 -6.056 -4.684 1.00 22.24 C ATOM 1000 O ASN A 59 -6.992 -5.938 -5.899 1.00 11.14 O ATOM 1001 CB ASN A 59 -6.761 -8.373 -3.767 1.00 15.15 C ATOM 1002 CG ASN A 59 -5.882 -9.342 -2.957 1.00 43.41 C ATOM 1003 OD1 ASN A 59 -5.239 -8.960 -1.979 1.00 42.10 O ATOM 1004 ND2 ASN A 59 -5.855 -10.614 -3.348 1.00 75.23 N ATOM 0 H ASN A 59 -6.530 -6.909 -1.741 1.00 20.32 H new ATOM 0 HA ASN A 59 -5.240 -6.911 -4.275 1.00 54.43 H new ATOM 0 HB2 ASN A 59 -7.763 -8.367 -3.337 1.00 15.15 H new ATOM 0 HB3 ASN A 59 -6.853 -8.752 -4.785 1.00 15.15 H new ATOM 0 HD21 ASN A 59 -5.294 -11.294 -2.834 1.00 75.23 H new ATOM 0 HD22 ASN A 59 -6.395 -10.909 -4.161 1.00 75.23 H new ATOM 1011 N ASP A 60 -8.184 -5.453 -4.022 1.00 63.15 N ATOM 1012 CA ASP A 60 -9.232 -4.646 -4.672 1.00 34.50 C ATOM 1013 C ASP A 60 -8.909 -3.146 -4.516 1.00 11.22 C ATOM 1014 O ASP A 60 -8.552 -2.692 -3.423 1.00 3.22 O ATOM 1015 CB ASP A 60 -10.614 -4.987 -4.061 1.00 24.33 C ATOM 1016 CG ASP A 60 -11.775 -4.233 -4.720 1.00 61.35 C ATOM 1017 OD1 ASP A 60 -12.187 -4.605 -5.840 1.00 24.31 O ATOM 1018 OD2 ASP A 60 -12.263 -3.252 -4.138 1.00 74.13 O ATOM 0 H ASP A 60 -8.291 -5.513 -3.009 1.00 63.15 H new ATOM 0 HA ASP A 60 -9.264 -4.879 -5.736 1.00 34.50 H new ATOM 0 HB2 ASP A 60 -10.789 -6.059 -4.152 1.00 24.33 H new ATOM 0 HB3 ASP A 60 -10.599 -4.756 -2.996 1.00 24.33 H new ATOM 1023 N LYS A 61 -9.051 -2.389 -5.616 1.00 0.04 N ATOM 1024 CA LYS A 61 -8.687 -0.958 -5.675 1.00 12.03 C ATOM 1025 C LYS A 61 -9.746 -0.039 -5.021 1.00 1.14 C ATOM 1026 O LYS A 61 -9.419 1.082 -4.606 1.00 41.43 O ATOM 1027 CB LYS A 61 -8.430 -0.546 -7.141 1.00 1.53 C ATOM 1028 CG LYS A 61 -7.238 -1.273 -7.803 1.00 4.14 C ATOM 1029 CD LYS A 61 -6.897 -0.709 -9.203 1.00 4.24 C ATOM 1030 CE LYS A 61 -5.671 -1.396 -9.824 1.00 54.42 C ATOM 1031 NZ LYS A 61 -5.321 -0.828 -11.150 1.00 64.33 N ATOM 0 H LYS A 61 -9.423 -2.751 -6.494 1.00 0.04 H new ATOM 0 HA LYS A 61 -7.774 -0.829 -5.094 1.00 12.03 H new ATOM 0 HB2 LYS A 61 -9.330 -0.741 -7.725 1.00 1.53 H new ATOM 0 HB3 LYS A 61 -8.252 0.529 -7.179 1.00 1.53 H new ATOM 0 HG2 LYS A 61 -6.363 -1.188 -7.159 1.00 4.14 H new ATOM 0 HG3 LYS A 61 -7.468 -2.335 -7.890 1.00 4.14 H new ATOM 0 HD2 LYS A 61 -7.755 -0.836 -9.863 1.00 4.24 H new ATOM 0 HD3 LYS A 61 -6.710 0.362 -9.126 1.00 4.24 H new ATOM 0 HE2 LYS A 61 -4.820 -1.294 -9.151 1.00 54.42 H new ATOM 0 HE3 LYS A 61 -5.869 -2.463 -9.928 1.00 54.42 H new ATOM 0 HZ1 LYS A 61 -5.438 -1.558 -11.882 1.00 64.33 H new ATOM 0 HZ2 LYS A 61 -5.947 -0.024 -11.360 1.00 64.33 H new ATOM 0 HZ3 LYS A 61 -4.333 -0.504 -11.139 1.00 64.33 H new ATOM 1045 N GLN A 62 -11.005 -0.511 -4.923 1.00 62.33 N ATOM 1046 CA GLN A 62 -12.062 0.234 -4.200 1.00 75.14 C ATOM 1047 C GLN A 62 -11.792 0.144 -2.685 1.00 61.22 C ATOM 1048 O GLN A 62 -11.879 1.149 -1.986 1.00 52.21 O ATOM 1049 CB GLN A 62 -13.483 -0.286 -4.553 1.00 42.25 C ATOM 1050 CG GLN A 62 -14.656 0.326 -3.734 1.00 3.44 C ATOM 1051 CD GLN A 62 -14.957 1.822 -3.976 1.00 51.31 C ATOM 1052 OE1 GLN A 62 -14.088 2.628 -4.313 1.00 4.12 O ATOM 1053 NE2 GLN A 62 -16.210 2.207 -3.789 1.00 40.53 N ATOM 0 H GLN A 62 -11.315 -1.394 -5.329 1.00 62.33 H new ATOM 0 HA GLN A 62 -12.032 1.278 -4.512 1.00 75.14 H new ATOM 0 HB2 GLN A 62 -13.666 -0.095 -5.610 1.00 42.25 H new ATOM 0 HB3 GLN A 62 -13.497 -1.367 -4.417 1.00 42.25 H new ATOM 0 HG2 GLN A 62 -15.559 -0.244 -3.953 1.00 3.44 H new ATOM 0 HG3 GLN A 62 -14.441 0.188 -2.674 1.00 3.44 H new ATOM 0 HE21 GLN A 62 -16.916 1.526 -3.510 1.00 40.53 H new ATOM 0 HE22 GLN A 62 -16.469 3.184 -3.924 1.00 40.53 H new ATOM 1062 N LEU A 63 -11.401 -1.060 -2.207 1.00 61.02 N ATOM 1063 CA LEU A 63 -10.997 -1.283 -0.802 1.00 62.41 C ATOM 1064 C LEU A 63 -9.722 -0.490 -0.471 1.00 24.42 C ATOM 1065 O LEU A 63 -9.525 -0.073 0.668 1.00 75.31 O ATOM 1066 CB LEU A 63 -10.765 -2.796 -0.531 1.00 10.11 C ATOM 1067 CG LEU A 63 -12.025 -3.710 -0.581 1.00 43.30 C ATOM 1068 CD1 LEU A 63 -11.650 -5.189 -0.344 1.00 5.14 C ATOM 1069 CD2 LEU A 63 -13.102 -3.235 0.419 1.00 22.05 C ATOM 0 H LEU A 63 -11.357 -1.901 -2.783 1.00 61.02 H new ATOM 0 HA LEU A 63 -11.805 -0.932 -0.160 1.00 62.41 H new ATOM 0 HB2 LEU A 63 -10.045 -3.167 -1.260 1.00 10.11 H new ATOM 0 HB3 LEU A 63 -10.306 -2.900 0.452 1.00 10.11 H new ATOM 0 HG LEU A 63 -12.451 -3.634 -1.581 1.00 43.30 H new ATOM 0 HD11 LEU A 63 -12.549 -5.803 -0.384 1.00 5.14 H new ATOM 0 HD12 LEU A 63 -10.952 -5.516 -1.115 1.00 5.14 H new ATOM 0 HD13 LEU A 63 -11.183 -5.294 0.635 1.00 5.14 H new ATOM 0 HD21 LEU A 63 -13.969 -3.893 0.360 1.00 22.05 H new ATOM 0 HD22 LEU A 63 -12.696 -3.260 1.430 1.00 22.05 H new ATOM 0 HD23 LEU A 63 -13.403 -2.216 0.173 1.00 22.05 H new ATOM 1081 N LEU A 64 -8.858 -0.310 -1.480 1.00 63.40 N ATOM 1082 CA LEU A 64 -7.667 0.543 -1.367 1.00 41.32 C ATOM 1083 C LEU A 64 -8.080 1.994 -1.066 1.00 43.23 C ATOM 1084 O LEU A 64 -7.509 2.634 -0.172 1.00 12.21 O ATOM 1085 CB LEU A 64 -6.818 0.432 -2.666 1.00 24.35 C ATOM 1086 CG LEU A 64 -5.578 1.391 -2.814 1.00 34.24 C ATOM 1087 CD1 LEU A 64 -4.515 0.760 -3.707 1.00 64.31 C ATOM 1088 CD2 LEU A 64 -5.959 2.777 -3.386 1.00 44.02 C ATOM 0 H LEU A 64 -8.965 -0.750 -2.394 1.00 63.40 H new ATOM 0 HA LEU A 64 -7.048 0.205 -0.536 1.00 41.32 H new ATOM 0 HB2 LEU A 64 -6.460 -0.594 -2.746 1.00 24.35 H new ATOM 0 HB3 LEU A 64 -7.479 0.606 -3.515 1.00 24.35 H new ATOM 0 HG LEU A 64 -5.185 1.539 -1.808 1.00 34.24 H new ATOM 0 HD11 LEU A 64 -3.666 1.438 -3.797 1.00 64.31 H new ATOM 0 HD12 LEU A 64 -4.183 -0.181 -3.268 1.00 64.31 H new ATOM 0 HD13 LEU A 64 -4.935 0.571 -4.695 1.00 64.31 H new ATOM 0 HD21 LEU A 64 -5.065 3.396 -3.466 1.00 44.02 H new ATOM 0 HD22 LEU A 64 -6.404 2.653 -4.373 1.00 44.02 H new ATOM 0 HD23 LEU A 64 -6.676 3.260 -2.722 1.00 44.02 H new ATOM 1100 N LYS A 65 -9.071 2.497 -1.836 1.00 31.21 N ATOM 1101 CA LYS A 65 -9.626 3.850 -1.661 1.00 60.14 C ATOM 1102 C LYS A 65 -10.179 4.038 -0.241 1.00 43.40 C ATOM 1103 O LYS A 65 -9.729 4.931 0.487 1.00 44.30 O ATOM 1104 CB LYS A 65 -10.747 4.118 -2.690 1.00 55.23 C ATOM 1105 CG LYS A 65 -10.290 4.388 -4.137 1.00 22.41 C ATOM 1106 CD LYS A 65 -11.476 4.679 -5.105 1.00 42.13 C ATOM 1107 CE LYS A 65 -12.389 5.858 -4.667 1.00 23.34 C ATOM 1108 NZ LYS A 65 -13.305 5.516 -3.527 1.00 44.34 N ATOM 0 H LYS A 65 -9.506 1.973 -2.595 1.00 31.21 H new ATOM 0 HA LYS A 65 -8.816 4.562 -1.821 1.00 60.14 H new ATOM 0 HB2 LYS A 65 -11.418 3.259 -2.697 1.00 55.23 H new ATOM 0 HB3 LYS A 65 -11.328 4.974 -2.349 1.00 55.23 H new ATOM 0 HG2 LYS A 65 -9.606 5.237 -4.144 1.00 22.41 H new ATOM 0 HG3 LYS A 65 -9.732 3.526 -4.503 1.00 22.41 H new ATOM 0 HD2 LYS A 65 -11.076 4.894 -6.096 1.00 42.13 H new ATOM 0 HD3 LYS A 65 -12.084 3.779 -5.196 1.00 42.13 H new ATOM 0 HE2 LYS A 65 -11.764 6.703 -4.379 1.00 23.34 H new ATOM 0 HE3 LYS A 65 -12.987 6.180 -5.519 1.00 23.34 H new ATOM 0 HZ1 LYS A 65 -14.238 5.944 -3.691 1.00 44.34 H new ATOM 0 HZ2 LYS A 65 -13.405 4.483 -3.460 1.00 44.34 H new ATOM 0 HZ3 LYS A 65 -12.907 5.883 -2.639 1.00 44.34 H new ATOM 1122 N GLU A 66 -11.121 3.149 0.148 1.00 4.52 N ATOM 1123 CA GLU A 66 -11.818 3.225 1.444 1.00 20.43 C ATOM 1124 C GLU A 66 -10.811 3.193 2.602 1.00 10.13 C ATOM 1125 O GLU A 66 -10.964 3.923 3.580 1.00 52.21 O ATOM 1126 CB GLU A 66 -12.835 2.063 1.602 1.00 31.23 C ATOM 1127 CG GLU A 66 -13.794 1.844 0.415 1.00 43.14 C ATOM 1128 CD GLU A 66 -14.477 3.127 -0.096 1.00 54.23 C ATOM 1129 OE1 GLU A 66 -15.481 3.556 0.512 1.00 21.24 O ATOM 1130 OE2 GLU A 66 -14.019 3.715 -1.113 1.00 70.31 O ATOM 0 H GLU A 66 -11.416 2.362 -0.429 1.00 4.52 H new ATOM 0 HA GLU A 66 -12.363 4.169 1.471 1.00 20.43 H new ATOM 0 HB2 GLU A 66 -12.280 1.140 1.771 1.00 31.23 H new ATOM 0 HB3 GLU A 66 -13.430 2.246 2.497 1.00 31.23 H new ATOM 0 HG2 GLU A 66 -13.239 1.391 -0.406 1.00 43.14 H new ATOM 0 HG3 GLU A 66 -14.563 1.131 0.712 1.00 43.14 H new ATOM 1137 N MET A 67 -9.769 2.355 2.433 1.00 23.12 N ATOM 1138 CA MET A 67 -8.640 2.241 3.371 1.00 73.00 C ATOM 1139 C MET A 67 -7.973 3.620 3.575 1.00 15.44 C ATOM 1140 O MET A 67 -7.942 4.142 4.683 1.00 45.54 O ATOM 1141 CB MET A 67 -7.601 1.218 2.816 1.00 2.15 C ATOM 1142 CG MET A 67 -6.523 0.739 3.811 1.00 71.10 C ATOM 1143 SD MET A 67 -7.138 -0.424 5.051 1.00 41.31 S ATOM 1144 CE MET A 67 -7.723 -1.771 4.025 1.00 72.45 C ATOM 0 H MET A 67 -9.689 1.731 1.630 1.00 23.12 H new ATOM 0 HA MET A 67 -9.010 1.890 4.334 1.00 73.00 H new ATOM 0 HB2 MET A 67 -8.141 0.345 2.449 1.00 2.15 H new ATOM 0 HB3 MET A 67 -7.101 1.668 1.958 1.00 2.15 H new ATOM 0 HG2 MET A 67 -5.713 0.268 3.255 1.00 71.10 H new ATOM 0 HG3 MET A 67 -6.099 1.606 4.318 1.00 71.10 H new ATOM 0 HE1 MET A 67 -7.998 -2.616 4.656 1.00 72.45 H new ATOM 0 HE2 MET A 67 -8.594 -1.444 3.457 1.00 72.45 H new ATOM 0 HE3 MET A 67 -6.934 -2.073 3.337 1.00 72.45 H new ATOM 1154 N LEU A 68 -7.533 4.234 2.463 1.00 11.21 N ATOM 1155 CA LEU A 68 -6.730 5.475 2.476 1.00 43.01 C ATOM 1156 C LEU A 68 -7.552 6.717 2.862 1.00 4.42 C ATOM 1157 O LEU A 68 -7.002 7.674 3.410 1.00 32.15 O ATOM 1158 CB LEU A 68 -6.049 5.663 1.096 1.00 45.23 C ATOM 1159 CG LEU A 68 -4.996 4.571 0.732 1.00 1.11 C ATOM 1160 CD1 LEU A 68 -4.426 4.773 -0.679 1.00 45.43 C ATOM 1161 CD2 LEU A 68 -3.873 4.527 1.780 1.00 0.30 C ATOM 0 H LEU A 68 -7.724 3.884 1.524 1.00 11.21 H new ATOM 0 HA LEU A 68 -5.969 5.369 3.249 1.00 43.01 H new ATOM 0 HB2 LEU A 68 -6.819 5.676 0.325 1.00 45.23 H new ATOM 0 HB3 LEU A 68 -5.562 6.638 1.077 1.00 45.23 H new ATOM 0 HG LEU A 68 -5.508 3.609 0.737 1.00 1.11 H new ATOM 0 HD11 LEU A 68 -3.697 3.991 -0.892 1.00 45.43 H new ATOM 0 HD12 LEU A 68 -5.234 4.724 -1.408 1.00 45.43 H new ATOM 0 HD13 LEU A 68 -3.941 5.748 -0.740 1.00 45.43 H new ATOM 0 HD21 LEU A 68 -3.150 3.759 1.506 1.00 0.30 H new ATOM 0 HD22 LEU A 68 -3.375 5.496 1.821 1.00 0.30 H new ATOM 0 HD23 LEU A 68 -4.296 4.295 2.757 1.00 0.30 H new ATOM 1173 N GLU A 69 -8.860 6.692 2.585 1.00 75.44 N ATOM 1174 CA GLU A 69 -9.774 7.797 2.931 1.00 42.42 C ATOM 1175 C GLU A 69 -10.078 7.779 4.445 1.00 5.42 C ATOM 1176 O GLU A 69 -10.182 8.837 5.075 1.00 11.31 O ATOM 1177 CB GLU A 69 -11.060 7.711 2.070 1.00 65.43 C ATOM 1178 CG GLU A 69 -10.809 7.947 0.557 1.00 12.02 C ATOM 1179 CD GLU A 69 -12.089 7.890 -0.296 1.00 62.20 C ATOM 1180 OE1 GLU A 69 -12.866 8.872 -0.279 1.00 62.31 O ATOM 1181 OE2 GLU A 69 -12.340 6.860 -0.972 1.00 12.31 O ATOM 0 H GLU A 69 -9.318 5.910 2.116 1.00 75.44 H new ATOM 0 HA GLU A 69 -9.298 8.752 2.708 1.00 42.42 H new ATOM 0 HB2 GLU A 69 -11.514 6.729 2.206 1.00 65.43 H new ATOM 0 HB3 GLU A 69 -11.779 8.447 2.430 1.00 65.43 H new ATOM 0 HG2 GLU A 69 -10.336 8.920 0.423 1.00 12.02 H new ATOM 0 HG3 GLU A 69 -10.106 7.198 0.193 1.00 12.02 H new ATOM 1188 N LEU A 70 -10.181 6.563 5.018 1.00 73.13 N ATOM 1189 CA LEU A 70 -10.257 6.357 6.482 1.00 52.11 C ATOM 1190 C LEU A 70 -8.922 6.745 7.157 1.00 0.25 C ATOM 1191 O LEU A 70 -8.922 7.377 8.215 1.00 74.11 O ATOM 1192 CB LEU A 70 -10.642 4.884 6.804 1.00 70.43 C ATOM 1193 CG LEU A 70 -12.120 4.486 6.472 1.00 74.43 C ATOM 1194 CD1 LEU A 70 -12.343 2.960 6.561 1.00 22.31 C ATOM 1195 CD2 LEU A 70 -13.107 5.249 7.378 1.00 2.34 C ATOM 0 H LEU A 70 -10.214 5.696 4.482 1.00 73.13 H new ATOM 0 HA LEU A 70 -11.035 7.005 6.884 1.00 52.11 H new ATOM 0 HB2 LEU A 70 -9.973 4.223 6.252 1.00 70.43 H new ATOM 0 HB3 LEU A 70 -10.465 4.704 7.864 1.00 70.43 H new ATOM 0 HG LEU A 70 -12.312 4.774 5.438 1.00 74.43 H new ATOM 0 HD11 LEU A 70 -13.381 2.730 6.323 1.00 22.31 H new ATOM 0 HD12 LEU A 70 -11.687 2.455 5.852 1.00 22.31 H new ATOM 0 HD13 LEU A 70 -12.118 2.618 7.571 1.00 22.31 H new ATOM 0 HD21 LEU A 70 -14.128 4.958 7.131 1.00 2.34 H new ATOM 0 HD22 LEU A 70 -12.904 5.008 8.421 1.00 2.34 H new ATOM 0 HD23 LEU A 70 -12.988 6.321 7.223 1.00 2.34 H new ATOM 1207 N ILE A 71 -7.793 6.417 6.490 1.00 44.22 N ATOM 1208 CA ILE A 71 -6.429 6.753 6.969 1.00 41.24 C ATOM 1209 C ILE A 71 -6.214 8.280 6.933 1.00 3.24 C ATOM 1210 O ILE A 71 -5.477 8.823 7.759 1.00 74.42 O ATOM 1211 CB ILE A 71 -5.313 6.019 6.114 1.00 34.03 C ATOM 1212 CG1 ILE A 71 -5.329 4.480 6.370 1.00 71.11 C ATOM 1213 CG2 ILE A 71 -3.904 6.595 6.382 1.00 70.30 C ATOM 1214 CD1 ILE A 71 -4.409 3.658 5.472 1.00 61.11 C ATOM 0 H ILE A 71 -7.799 5.912 5.604 1.00 44.22 H new ATOM 0 HA ILE A 71 -6.341 6.403 7.998 1.00 41.24 H new ATOM 0 HB ILE A 71 -5.549 6.200 5.065 1.00 34.03 H new ATOM 0 HG12 ILE A 71 -5.052 4.299 7.409 1.00 71.11 H new ATOM 0 HG13 ILE A 71 -6.350 4.118 6.244 1.00 71.11 H new ATOM 0 HG21 ILE A 71 -3.172 6.062 5.775 1.00 70.30 H new ATOM 0 HG22 ILE A 71 -3.888 7.654 6.123 1.00 70.30 H new ATOM 0 HG23 ILE A 71 -3.657 6.476 7.437 1.00 70.30 H new ATOM 0 HD11 ILE A 71 -4.495 2.603 5.731 1.00 61.11 H new ATOM 0 HD12 ILE A 71 -4.696 3.800 4.430 1.00 61.11 H new ATOM 0 HD13 ILE A 71 -3.378 3.983 5.612 1.00 61.11 H new ATOM 1226 N SER A 72 -6.884 8.959 5.984 1.00 71.33 N ATOM 1227 CA SER A 72 -6.798 10.420 5.834 1.00 11.31 C ATOM 1228 C SER A 72 -7.465 11.120 7.031 1.00 1.14 C ATOM 1229 O SER A 72 -6.985 12.158 7.504 1.00 24.10 O ATOM 1230 CB SER A 72 -7.436 10.853 4.492 1.00 65.13 C ATOM 1231 OG SER A 72 -7.282 12.245 4.260 1.00 42.24 O ATOM 0 H SER A 72 -7.497 8.511 5.303 1.00 71.33 H new ATOM 0 HA SER A 72 -5.750 10.719 5.819 1.00 11.31 H new ATOM 0 HB2 SER A 72 -6.978 10.295 3.675 1.00 65.13 H new ATOM 0 HB3 SER A 72 -8.496 10.600 4.495 1.00 65.13 H new ATOM 0 HG SER A 72 -7.695 12.482 3.404 1.00 42.24 H new ATOM 1237 N LYS A 73 -8.554 10.506 7.534 1.00 4.32 N ATOM 1238 CA LYS A 73 -9.273 10.964 8.741 1.00 62.52 C ATOM 1239 C LYS A 73 -8.418 10.733 10.005 1.00 61.12 C ATOM 1240 O LYS A 73 -8.399 11.562 10.921 1.00 12.03 O ATOM 1241 CB LYS A 73 -10.616 10.199 8.856 1.00 20.34 C ATOM 1242 CG LYS A 73 -11.544 10.359 7.629 1.00 1.44 C ATOM 1243 CD LYS A 73 -12.843 9.527 7.737 1.00 75.21 C ATOM 1244 CE LYS A 73 -13.706 9.911 8.952 1.00 71.23 C ATOM 1245 NZ LYS A 73 -14.041 11.363 8.961 1.00 30.50 N ATOM 0 H LYS A 73 -8.963 9.672 7.112 1.00 4.32 H new ATOM 0 HA LYS A 73 -9.468 12.033 8.655 1.00 62.52 H new ATOM 0 HB2 LYS A 73 -10.406 9.140 9.003 1.00 20.34 H new ATOM 0 HB3 LYS A 73 -11.144 10.546 9.744 1.00 20.34 H new ATOM 0 HG2 LYS A 73 -11.803 11.411 7.512 1.00 1.44 H new ATOM 0 HG3 LYS A 73 -11.003 10.062 6.731 1.00 1.44 H new ATOM 0 HD2 LYS A 73 -13.428 9.658 6.827 1.00 75.21 H new ATOM 0 HD3 LYS A 73 -12.586 8.470 7.801 1.00 75.21 H new ATOM 0 HE2 LYS A 73 -14.626 9.327 8.943 1.00 71.23 H new ATOM 0 HE3 LYS A 73 -13.175 9.655 9.869 1.00 71.23 H new ATOM 0 HZ1 LYS A 73 -14.718 11.558 9.726 1.00 30.50 H new ATOM 0 HZ2 LYS A 73 -13.175 11.918 9.115 1.00 30.50 H new ATOM 0 HZ3 LYS A 73 -14.464 11.627 8.048 1.00 30.50 H new ATOM 1259 N LEU A 74 -7.710 9.590 10.018 1.00 23.53 N ATOM 1260 CA LEU A 74 -6.829 9.178 11.128 1.00 31.31 C ATOM 1261 C LEU A 74 -5.458 9.899 11.063 1.00 32.25 C ATOM 1262 O LEU A 74 -4.734 9.952 12.061 1.00 4.20 O ATOM 1263 CB LEU A 74 -6.658 7.636 11.092 1.00 70.43 C ATOM 1264 CG LEU A 74 -7.975 6.798 11.220 1.00 33.11 C ATOM 1265 CD1 LEU A 74 -7.708 5.280 11.054 1.00 2.24 C ATOM 1266 CD2 LEU A 74 -8.702 7.112 12.546 1.00 15.11 C ATOM 0 H LEU A 74 -7.733 8.918 9.251 1.00 23.53 H new ATOM 0 HA LEU A 74 -7.289 9.466 12.073 1.00 31.31 H new ATOM 0 HB2 LEU A 74 -6.168 7.366 10.156 1.00 70.43 H new ATOM 0 HB3 LEU A 74 -5.986 7.346 11.899 1.00 70.43 H new ATOM 0 HG LEU A 74 -8.636 7.091 10.404 1.00 33.11 H new ATOM 0 HD11 LEU A 74 -8.646 4.733 11.149 1.00 2.24 H new ATOM 0 HD12 LEU A 74 -7.277 5.092 10.071 1.00 2.24 H new ATOM 0 HD13 LEU A 74 -7.013 4.946 11.825 1.00 2.24 H new ATOM 0 HD21 LEU A 74 -9.613 6.518 12.611 1.00 15.11 H new ATOM 0 HD22 LEU A 74 -8.050 6.869 13.385 1.00 15.11 H new ATOM 0 HD23 LEU A 74 -8.957 8.171 12.579 1.00 15.11 H new ATOM 1278 N GLY A 75 -5.128 10.441 9.872 1.00 4.15 N ATOM 1279 CA GLY A 75 -3.918 11.241 9.646 1.00 74.44 C ATOM 1280 C GLY A 75 -2.603 10.464 9.669 1.00 14.52 C ATOM 1281 O GLY A 75 -1.569 11.033 10.037 1.00 3.35 O ATOM 0 H GLY A 75 -5.703 10.331 9.036 1.00 4.15 H new ATOM 0 HA2 GLY A 75 -4.008 11.740 8.681 1.00 74.44 H new ATOM 0 HA3 GLY A 75 -3.872 12.021 10.406 1.00 74.44 H new ATOM 1285 N TYR A 76 -2.621 9.170 9.278 1.00 0.44 N ATOM 1286 CA TYR A 76 -1.380 8.347 9.227 1.00 12.32 C ATOM 1287 C TYR A 76 -0.619 8.571 7.907 1.00 44.23 C ATOM 1288 O TYR A 76 -1.238 8.788 6.855 1.00 14.43 O ATOM 1289 CB TYR A 76 -1.671 6.828 9.385 1.00 3.02 C ATOM 1290 CG TYR A 76 -2.444 6.427 10.646 1.00 4.52 C ATOM 1291 CD1 TYR A 76 -2.155 6.995 11.894 1.00 1.12 C ATOM 1292 CD2 TYR A 76 -3.456 5.463 10.593 1.00 33.31 C ATOM 1293 CE1 TYR A 76 -2.854 6.624 13.026 1.00 61.30 C ATOM 1294 CE2 TYR A 76 -4.150 5.091 11.722 1.00 12.32 C ATOM 1295 CZ TYR A 76 -3.849 5.674 12.932 1.00 64.03 C ATOM 1296 OH TYR A 76 -4.551 5.307 14.053 1.00 24.24 O ATOM 0 H TYR A 76 -3.466 8.674 8.996 1.00 0.44 H new ATOM 0 HA TYR A 76 -0.767 8.672 10.068 1.00 12.32 H new ATOM 0 HB2 TYR A 76 -2.234 6.492 8.514 1.00 3.02 H new ATOM 0 HB3 TYR A 76 -0.722 6.292 9.377 1.00 3.02 H new ATOM 0 HD1 TYR A 76 -1.373 7.735 11.972 1.00 1.12 H new ATOM 0 HD2 TYR A 76 -3.698 5.001 9.647 1.00 33.31 H new ATOM 0 HE1 TYR A 76 -2.623 7.075 13.979 1.00 61.30 H new ATOM 0 HE2 TYR A 76 -4.928 4.344 11.659 1.00 12.32 H new ATOM 0 HH TYR A 76 -5.336 5.885 14.151 1.00 24.24 H new ATOM 1306 N LYS A 77 0.722 8.509 7.982 1.00 50.15 N ATOM 1307 CA LYS A 77 1.606 8.595 6.808 1.00 64.40 C ATOM 1308 C LYS A 77 1.547 7.287 6.007 1.00 5.45 C ATOM 1309 O LYS A 77 1.760 6.213 6.562 1.00 51.20 O ATOM 1310 CB LYS A 77 3.067 8.909 7.266 1.00 20.32 C ATOM 1311 CG LYS A 77 4.164 8.843 6.163 1.00 4.32 C ATOM 1312 CD LYS A 77 3.891 9.767 4.953 1.00 71.31 C ATOM 1313 CE LYS A 77 3.776 11.251 5.338 1.00 15.33 C ATOM 1314 NZ LYS A 77 3.362 12.089 4.184 1.00 14.53 N ATOM 0 H LYS A 77 1.224 8.397 8.863 1.00 50.15 H new ATOM 0 HA LYS A 77 1.269 9.404 6.160 1.00 64.40 H new ATOM 0 HB2 LYS A 77 3.081 9.907 7.704 1.00 20.32 H new ATOM 0 HB3 LYS A 77 3.335 8.210 8.058 1.00 20.32 H new ATOM 0 HG2 LYS A 77 5.125 9.111 6.603 1.00 4.32 H new ATOM 0 HG3 LYS A 77 4.250 7.815 5.811 1.00 4.32 H new ATOM 0 HD2 LYS A 77 4.694 9.648 4.225 1.00 71.31 H new ATOM 0 HD3 LYS A 77 2.969 9.452 4.465 1.00 71.31 H new ATOM 0 HE2 LYS A 77 3.053 11.362 6.146 1.00 15.33 H new ATOM 0 HE3 LYS A 77 4.735 11.603 5.718 1.00 15.33 H new ATOM 0 HZ1 LYS A 77 3.295 13.083 4.483 1.00 14.53 H new ATOM 0 HZ2 LYS A 77 4.065 12.003 3.422 1.00 14.53 H new ATOM 0 HZ3 LYS A 77 2.435 11.769 3.837 1.00 14.53 H new ATOM 1328 N VAL A 78 1.230 7.383 4.707 1.00 42.52 N ATOM 1329 CA VAL A 78 1.210 6.218 3.803 1.00 42.13 C ATOM 1330 C VAL A 78 2.096 6.449 2.578 1.00 71.40 C ATOM 1331 O VAL A 78 2.135 7.552 2.006 1.00 72.52 O ATOM 1332 CB VAL A 78 -0.257 5.843 3.344 1.00 72.30 C ATOM 1333 CG1 VAL A 78 -0.278 4.725 2.271 1.00 13.02 C ATOM 1334 CG2 VAL A 78 -1.119 5.436 4.554 1.00 25.24 C ATOM 0 H VAL A 78 0.982 8.262 4.253 1.00 42.52 H new ATOM 0 HA VAL A 78 1.609 5.379 4.373 1.00 42.13 H new ATOM 0 HB VAL A 78 -0.680 6.737 2.886 1.00 72.30 H new ATOM 0 HG11 VAL A 78 -1.309 4.507 1.992 1.00 13.02 H new ATOM 0 HG12 VAL A 78 0.274 5.055 1.391 1.00 13.02 H new ATOM 0 HG13 VAL A 78 0.187 3.825 2.674 1.00 13.02 H new ATOM 0 HG21 VAL A 78 -2.124 5.182 4.216 1.00 25.24 H new ATOM 0 HG22 VAL A 78 -0.672 4.571 5.045 1.00 25.24 H new ATOM 0 HG23 VAL A 78 -1.172 6.266 5.259 1.00 25.24 H new ATOM 1344 N PHE A 79 2.810 5.381 2.207 1.00 12.12 N ATOM 1345 CA PHE A 79 3.504 5.259 0.932 1.00 71.40 C ATOM 1346 C PHE A 79 2.773 4.155 0.134 1.00 12.14 C ATOM 1347 O PHE A 79 2.774 2.991 0.553 1.00 5.24 O ATOM 1348 CB PHE A 79 4.984 4.861 1.172 1.00 12.24 C ATOM 1349 CG PHE A 79 5.829 5.852 1.987 1.00 21.44 C ATOM 1350 CD1 PHE A 79 5.809 5.839 3.383 1.00 53.44 C ATOM 1351 CD2 PHE A 79 6.651 6.788 1.357 1.00 24.13 C ATOM 1352 CE1 PHE A 79 6.578 6.729 4.114 1.00 33.14 C ATOM 1353 CE2 PHE A 79 7.418 7.677 2.089 1.00 51.54 C ATOM 1354 CZ PHE A 79 7.379 7.646 3.470 1.00 74.23 C ATOM 0 H PHE A 79 2.921 4.561 2.803 1.00 12.12 H new ATOM 0 HA PHE A 79 3.499 6.202 0.386 1.00 71.40 H new ATOM 0 HB2 PHE A 79 5.001 3.897 1.680 1.00 12.24 H new ATOM 0 HB3 PHE A 79 5.462 4.719 0.203 1.00 12.24 H new ATOM 0 HD1 PHE A 79 5.185 5.125 3.900 1.00 53.44 H new ATOM 0 HD2 PHE A 79 6.689 6.819 0.278 1.00 24.13 H new ATOM 0 HE1 PHE A 79 6.550 6.704 5.193 1.00 33.14 H new ATOM 0 HE2 PHE A 79 8.046 8.394 1.582 1.00 51.54 H new ATOM 0 HZ PHE A 79 7.976 8.340 4.044 1.00 74.23 H new ATOM 1364 N LEU A 80 2.129 4.530 -0.983 1.00 53.23 N ATOM 1365 CA LEU A 80 1.338 3.604 -1.822 1.00 2.33 C ATOM 1366 C LEU A 80 2.127 3.199 -3.079 1.00 42.32 C ATOM 1367 O LEU A 80 2.825 4.022 -3.675 1.00 13.03 O ATOM 1368 CB LEU A 80 -0.033 4.246 -2.205 1.00 43.21 C ATOM 1369 CG LEU A 80 -0.911 3.494 -3.279 1.00 52.33 C ATOM 1370 CD1 LEU A 80 -1.220 2.037 -2.888 1.00 52.23 C ATOM 1371 CD2 LEU A 80 -2.213 4.265 -3.576 1.00 25.32 C ATOM 0 H LEU A 80 2.140 5.488 -1.334 1.00 53.23 H new ATOM 0 HA LEU A 80 1.140 2.701 -1.244 1.00 2.33 H new ATOM 0 HB2 LEU A 80 -0.625 4.345 -1.295 1.00 43.21 H new ATOM 0 HB3 LEU A 80 0.158 5.254 -2.572 1.00 43.21 H new ATOM 0 HG LEU A 80 -0.312 3.457 -4.189 1.00 52.33 H new ATOM 0 HD11 LEU A 80 -1.827 1.572 -3.665 1.00 52.23 H new ATOM 0 HD12 LEU A 80 -0.287 1.484 -2.777 1.00 52.23 H new ATOM 0 HD13 LEU A 80 -1.765 2.021 -1.944 1.00 52.23 H new ATOM 0 HD21 LEU A 80 -2.796 3.722 -4.320 1.00 25.32 H new ATOM 0 HD22 LEU A 80 -2.795 4.363 -2.660 1.00 25.32 H new ATOM 0 HD23 LEU A 80 -1.970 5.256 -3.959 1.00 25.32 H new ATOM 1383 N LEU A 81 2.003 1.917 -3.460 1.00 42.32 N ATOM 1384 CA LEU A 81 2.585 1.365 -4.687 1.00 33.44 C ATOM 1385 C LEU A 81 1.483 0.670 -5.514 1.00 64.14 C ATOM 1386 O LEU A 81 0.821 -0.251 -5.025 1.00 0.11 O ATOM 1387 CB LEU A 81 3.715 0.363 -4.341 1.00 73.30 C ATOM 1388 CG LEU A 81 4.526 -0.171 -5.558 1.00 74.55 C ATOM 1389 CD1 LEU A 81 5.184 0.985 -6.341 1.00 40.03 C ATOM 1390 CD2 LEU A 81 5.561 -1.221 -5.120 1.00 75.21 C ATOM 0 H LEU A 81 1.487 1.227 -2.914 1.00 42.32 H new ATOM 0 HA LEU A 81 3.014 2.175 -5.277 1.00 33.44 H new ATOM 0 HB2 LEU A 81 4.405 0.844 -3.648 1.00 73.30 H new ATOM 0 HB3 LEU A 81 3.277 -0.486 -3.816 1.00 73.30 H new ATOM 0 HG LEU A 81 3.828 -0.665 -6.233 1.00 74.55 H new ATOM 0 HD11 LEU A 81 5.743 0.581 -7.185 1.00 40.03 H new ATOM 0 HD12 LEU A 81 4.412 1.662 -6.708 1.00 40.03 H new ATOM 0 HD13 LEU A 81 5.862 1.530 -5.684 1.00 40.03 H new ATOM 0 HD21 LEU A 81 6.111 -1.575 -5.992 1.00 75.21 H new ATOM 0 HD22 LEU A 81 6.256 -0.773 -4.410 1.00 75.21 H new ATOM 0 HD23 LEU A 81 5.050 -2.060 -4.648 1.00 75.21 H new ATOM 1402 N LEU A 82 1.282 1.144 -6.750 1.00 73.14 N ATOM 1403 CA LEU A 82 0.302 0.594 -7.705 1.00 41.30 C ATOM 1404 C LEU A 82 1.045 -0.054 -8.885 1.00 35.45 C ATOM 1405 O LEU A 82 1.794 0.645 -9.585 1.00 4.32 O ATOM 1406 CB LEU A 82 -0.611 1.745 -8.217 1.00 41.23 C ATOM 1407 CG LEU A 82 -1.496 2.460 -7.154 1.00 71.35 C ATOM 1408 CD1 LEU A 82 -2.169 3.725 -7.735 1.00 62.33 C ATOM 1409 CD2 LEU A 82 -2.543 1.490 -6.575 1.00 43.20 C ATOM 0 H LEU A 82 1.804 1.936 -7.125 1.00 73.14 H new ATOM 0 HA LEU A 82 -0.311 -0.162 -7.214 1.00 41.30 H new ATOM 0 HB2 LEU A 82 0.021 2.494 -8.694 1.00 41.23 H new ATOM 0 HB3 LEU A 82 -1.266 1.342 -8.990 1.00 41.23 H new ATOM 0 HG LEU A 82 -0.845 2.782 -6.341 1.00 71.35 H new ATOM 0 HD11 LEU A 82 -2.779 4.199 -6.966 1.00 62.33 H new ATOM 0 HD12 LEU A 82 -1.402 4.423 -8.071 1.00 62.33 H new ATOM 0 HD13 LEU A 82 -2.801 3.446 -8.578 1.00 62.33 H new ATOM 0 HD21 LEU A 82 -3.150 2.010 -5.834 1.00 43.20 H new ATOM 0 HD22 LEU A 82 -3.183 1.124 -7.378 1.00 43.20 H new ATOM 0 HD23 LEU A 82 -2.037 0.648 -6.103 1.00 43.20 H new ATOM 1421 N GLN A 83 0.867 -1.378 -9.096 1.00 4.54 N ATOM 1422 CA GLN A 83 1.467 -2.080 -10.249 1.00 14.14 C ATOM 1423 C GLN A 83 0.418 -2.317 -11.333 1.00 11.13 C ATOM 1424 O GLN A 83 -0.562 -3.039 -11.103 1.00 11.31 O ATOM 1425 CB GLN A 83 2.119 -3.437 -9.853 1.00 12.35 C ATOM 1426 CG GLN A 83 2.900 -4.098 -11.025 1.00 2.40 C ATOM 1427 CD GLN A 83 3.453 -5.492 -10.733 1.00 43.10 C ATOM 1428 OE1 GLN A 83 2.901 -6.251 -9.941 1.00 74.20 O ATOM 1429 NE2 GLN A 83 4.525 -5.853 -11.412 1.00 74.25 N ATOM 0 H GLN A 83 0.314 -1.978 -8.484 1.00 4.54 H new ATOM 0 HA GLN A 83 2.257 -1.433 -10.630 1.00 14.14 H new ATOM 0 HB2 GLN A 83 2.798 -3.277 -9.015 1.00 12.35 H new ATOM 0 HB3 GLN A 83 1.343 -4.121 -9.509 1.00 12.35 H new ATOM 0 HG2 GLN A 83 2.241 -4.160 -11.891 1.00 2.40 H new ATOM 0 HG3 GLN A 83 3.729 -3.446 -11.302 1.00 2.40 H new ATOM 0 HE21 GLN A 83 4.961 -5.199 -12.063 1.00 74.25 H new ATOM 0 HE22 GLN A 83 4.918 -6.786 -11.286 1.00 74.25 H new ATOM 1438 N ASP A 84 0.643 -1.714 -12.512 1.00 31.22 N ATOM 1439 CA ASP A 84 -0.162 -1.928 -13.726 1.00 50.42 C ATOM 1440 C ASP A 84 0.747 -1.793 -14.950 1.00 31.14 C ATOM 1441 O ASP A 84 1.694 -0.996 -14.947 1.00 22.33 O ATOM 1442 CB ASP A 84 -1.327 -0.900 -13.853 1.00 42.04 C ATOM 1443 CG ASP A 84 -2.436 -1.077 -12.805 1.00 3.31 C ATOM 1444 OD1 ASP A 84 -3.339 -1.914 -13.024 1.00 54.42 O ATOM 1445 OD2 ASP A 84 -2.430 -0.376 -11.773 1.00 34.21 O ATOM 0 H ASP A 84 1.405 -1.051 -12.651 1.00 31.22 H new ATOM 0 HA ASP A 84 -0.601 -2.924 -13.663 1.00 50.42 H new ATOM 0 HB2 ASP A 84 -0.919 0.107 -13.768 1.00 42.04 H new ATOM 0 HB3 ASP A 84 -1.765 -0.984 -14.848 1.00 42.04 H new ATOM 1450 N GLN A 85 0.447 -2.576 -15.989 1.00 31.25 N ATOM 1451 CA GLN A 85 1.083 -2.435 -17.313 1.00 3.24 C ATOM 1452 C GLN A 85 0.342 -1.361 -18.131 1.00 35.35 C ATOM 1453 O GLN A 85 0.873 -0.843 -19.114 1.00 62.25 O ATOM 1454 CB GLN A 85 1.073 -3.795 -18.064 1.00 61.35 C ATOM 1455 CG GLN A 85 1.672 -4.989 -17.277 1.00 13.52 C ATOM 1456 CD GLN A 85 3.143 -4.810 -16.872 1.00 54.21 C ATOM 1457 OE1 GLN A 85 3.929 -4.156 -17.560 1.00 40.44 O ATOM 1458 NE2 GLN A 85 3.531 -5.405 -15.761 1.00 73.53 N ATOM 0 H GLN A 85 -0.242 -3.327 -15.942 1.00 31.25 H new ATOM 0 HA GLN A 85 2.120 -2.126 -17.181 1.00 3.24 H new ATOM 0 HB2 GLN A 85 0.044 -4.036 -18.331 1.00 61.35 H new ATOM 0 HB3 GLN A 85 1.626 -3.681 -18.996 1.00 61.35 H new ATOM 0 HG2 GLN A 85 1.078 -5.150 -16.378 1.00 13.52 H new ATOM 0 HG3 GLN A 85 1.582 -5.890 -17.884 1.00 13.52 H new ATOM 0 HE21 GLN A 85 2.861 -5.941 -15.209 1.00 73.53 H new ATOM 0 HE22 GLN A 85 4.501 -5.329 -15.454 1.00 73.53 H new ATOM 1467 N ASP A 86 -0.884 -1.029 -17.692 1.00 62.13 N ATOM 1468 CA ASP A 86 -1.740 -0.035 -18.344 1.00 40.45 C ATOM 1469 C ASP A 86 -1.433 1.342 -17.756 1.00 20.50 C ATOM 1470 O ASP A 86 -2.083 1.767 -16.799 1.00 33.42 O ATOM 1471 CB ASP A 86 -3.235 -0.400 -18.148 1.00 5.53 C ATOM 1472 CG ASP A 86 -3.596 -1.751 -18.771 1.00 43.02 C ATOM 1473 OD1 ASP A 86 -3.874 -1.794 -19.989 1.00 31.10 O ATOM 1474 OD2 ASP A 86 -3.594 -2.774 -18.051 1.00 4.52 O ATOM 0 H ASP A 86 -1.309 -1.450 -16.866 1.00 62.13 H new ATOM 0 HA ASP A 86 -1.540 -0.021 -19.415 1.00 40.45 H new ATOM 0 HB2 ASP A 86 -3.463 -0.422 -17.082 1.00 5.53 H new ATOM 0 HB3 ASP A 86 -3.857 0.378 -18.591 1.00 5.53 H new ATOM 1479 N GLU A 87 -0.415 2.017 -18.317 1.00 64.15 N ATOM 1480 CA GLU A 87 0.098 3.297 -17.795 1.00 34.34 C ATOM 1481 C GLU A 87 -0.955 4.424 -17.827 1.00 34.52 C ATOM 1482 O GLU A 87 -0.875 5.348 -17.024 1.00 52.20 O ATOM 1483 CB GLU A 87 1.358 3.725 -18.579 1.00 32.33 C ATOM 1484 CG GLU A 87 2.545 2.745 -18.475 1.00 2.34 C ATOM 1485 CD GLU A 87 3.760 3.225 -19.281 1.00 72.22 C ATOM 1486 OE1 GLU A 87 3.836 2.928 -20.495 1.00 21.13 O ATOM 1487 OE2 GLU A 87 4.626 3.930 -18.719 1.00 34.33 O ATOM 0 H GLU A 87 0.077 1.690 -19.148 1.00 64.15 H new ATOM 0 HA GLU A 87 0.353 3.131 -16.748 1.00 34.34 H new ATOM 0 HB2 GLU A 87 1.093 3.843 -19.630 1.00 32.33 H new ATOM 0 HB3 GLU A 87 1.679 4.703 -18.219 1.00 32.33 H new ATOM 0 HG2 GLU A 87 2.828 2.628 -17.429 1.00 2.34 H new ATOM 0 HG3 GLU A 87 2.237 1.763 -18.834 1.00 2.34 H new ATOM 1494 N ASN A 88 -1.922 4.322 -18.758 1.00 34.21 N ATOM 1495 CA ASN A 88 -3.034 5.293 -18.902 1.00 14.24 C ATOM 1496 C ASN A 88 -3.924 5.280 -17.637 1.00 1.22 C ATOM 1497 O ASN A 88 -4.111 6.315 -16.984 1.00 42.34 O ATOM 1498 CB ASN A 88 -3.866 4.933 -20.172 1.00 11.42 C ATOM 1499 CG ASN A 88 -4.927 5.973 -20.585 1.00 0.04 C ATOM 1500 OD1 ASN A 88 -5.473 6.713 -19.767 1.00 73.25 O ATOM 1501 ND2 ASN A 88 -5.250 6.021 -21.873 1.00 63.03 N ATOM 0 H ASN A 88 -1.958 3.562 -19.437 1.00 34.21 H new ATOM 0 HA ASN A 88 -2.630 6.299 -19.016 1.00 14.24 H new ATOM 0 HB2 ASN A 88 -3.180 4.789 -21.006 1.00 11.42 H new ATOM 0 HB3 ASN A 88 -4.365 3.979 -20.001 1.00 11.42 H new ATOM 0 HD21 ASN A 88 -5.960 6.678 -22.197 1.00 63.03 H new ATOM 0 HD22 ASN A 88 -4.788 5.401 -22.538 1.00 63.03 H new ATOM 1508 N GLU A 89 -4.417 4.081 -17.284 1.00 12.13 N ATOM 1509 CA GLU A 89 -5.327 3.889 -16.137 1.00 60.43 C ATOM 1510 C GLU A 89 -4.557 4.080 -14.818 1.00 35.31 C ATOM 1511 O GLU A 89 -5.054 4.710 -13.872 1.00 35.33 O ATOM 1512 CB GLU A 89 -5.955 2.474 -16.185 1.00 15.45 C ATOM 1513 CG GLU A 89 -6.707 2.138 -17.489 1.00 63.23 C ATOM 1514 CD GLU A 89 -7.326 0.725 -17.477 1.00 14.32 C ATOM 1515 OE1 GLU A 89 -6.617 -0.253 -17.797 1.00 45.53 O ATOM 1516 OE2 GLU A 89 -8.520 0.581 -17.132 1.00 71.24 O ATOM 0 H GLU A 89 -4.198 3.219 -17.783 1.00 12.13 H new ATOM 0 HA GLU A 89 -6.125 4.629 -16.192 1.00 60.43 H new ATOM 0 HB2 GLU A 89 -5.165 1.737 -16.039 1.00 15.45 H new ATOM 0 HB3 GLU A 89 -6.646 2.371 -15.348 1.00 15.45 H new ATOM 0 HG2 GLU A 89 -7.496 2.873 -17.648 1.00 63.23 H new ATOM 0 HG3 GLU A 89 -6.020 2.221 -18.331 1.00 63.23 H new ATOM 1523 N LEU A 90 -3.329 3.531 -14.799 1.00 70.23 N ATOM 1524 CA LEU A 90 -2.390 3.621 -13.674 1.00 5.35 C ATOM 1525 C LEU A 90 -2.095 5.086 -13.319 1.00 21.04 C ATOM 1526 O LEU A 90 -2.045 5.440 -12.141 1.00 52.40 O ATOM 1527 CB LEU A 90 -1.081 2.867 -14.047 1.00 42.44 C ATOM 1528 CG LEU A 90 0.093 2.896 -13.018 1.00 62.32 C ATOM 1529 CD1 LEU A 90 -0.361 2.467 -11.617 1.00 54.41 C ATOM 1530 CD2 LEU A 90 1.294 2.045 -13.508 1.00 53.43 C ATOM 0 H LEU A 90 -2.956 3.000 -15.586 1.00 70.23 H new ATOM 0 HA LEU A 90 -2.837 3.158 -12.794 1.00 5.35 H new ATOM 0 HB2 LEU A 90 -1.337 1.824 -14.234 1.00 42.44 H new ATOM 0 HB3 LEU A 90 -0.713 3.279 -14.987 1.00 42.44 H new ATOM 0 HG LEU A 90 0.427 3.931 -12.943 1.00 62.32 H new ATOM 0 HD11 LEU A 90 0.487 2.502 -10.933 1.00 54.41 H new ATOM 0 HD12 LEU A 90 -1.140 3.143 -11.264 1.00 54.41 H new ATOM 0 HD13 LEU A 90 -0.753 1.451 -11.657 1.00 54.41 H new ATOM 0 HD21 LEU A 90 2.094 2.086 -12.769 1.00 53.43 H new ATOM 0 HD22 LEU A 90 0.977 1.011 -13.642 1.00 53.43 H new ATOM 0 HD23 LEU A 90 1.656 2.439 -14.457 1.00 53.43 H new ATOM 1542 N GLU A 91 -1.928 5.929 -14.361 1.00 65.51 N ATOM 1543 CA GLU A 91 -1.629 7.358 -14.194 1.00 73.13 C ATOM 1544 C GLU A 91 -2.770 8.078 -13.467 1.00 54.54 C ATOM 1545 O GLU A 91 -2.532 8.799 -12.490 1.00 64.40 O ATOM 1546 CB GLU A 91 -1.377 8.023 -15.569 1.00 11.32 C ATOM 1547 CG GLU A 91 -0.995 9.513 -15.506 1.00 32.13 C ATOM 1548 CD GLU A 91 0.281 9.790 -14.689 1.00 75.44 C ATOM 1549 OE1 GLU A 91 1.388 9.567 -15.211 1.00 14.20 O ATOM 1550 OE2 GLU A 91 0.183 10.245 -13.525 1.00 43.43 O ATOM 0 H GLU A 91 -1.997 5.635 -15.335 1.00 65.51 H new ATOM 0 HA GLU A 91 -0.727 7.442 -13.588 1.00 73.13 H new ATOM 0 HB2 GLU A 91 -0.581 7.480 -16.079 1.00 11.32 H new ATOM 0 HB3 GLU A 91 -2.275 7.918 -16.177 1.00 11.32 H new ATOM 0 HG2 GLU A 91 -0.855 9.886 -16.520 1.00 32.13 H new ATOM 0 HG3 GLU A 91 -1.823 10.073 -15.072 1.00 32.13 H new ATOM 1557 N GLU A 92 -4.005 7.848 -13.953 1.00 42.24 N ATOM 1558 CA GLU A 92 -5.215 8.467 -13.396 1.00 44.13 C ATOM 1559 C GLU A 92 -5.387 8.128 -11.910 1.00 62.24 C ATOM 1560 O GLU A 92 -5.450 9.029 -11.070 1.00 64.31 O ATOM 1561 CB GLU A 92 -6.460 8.028 -14.204 1.00 74.05 C ATOM 1562 CG GLU A 92 -6.470 8.519 -15.662 1.00 71.05 C ATOM 1563 CD GLU A 92 -6.350 10.052 -15.773 1.00 21.14 C ATOM 1564 OE1 GLU A 92 -7.319 10.756 -15.428 1.00 63.43 O ATOM 1565 OE2 GLU A 92 -5.286 10.559 -16.187 1.00 34.00 O ATOM 0 H GLU A 92 -4.188 7.228 -14.742 1.00 42.24 H new ATOM 0 HA GLU A 92 -5.107 9.549 -13.475 1.00 44.13 H new ATOM 0 HB2 GLU A 92 -6.518 6.940 -14.198 1.00 74.05 H new ATOM 0 HB3 GLU A 92 -7.354 8.397 -13.702 1.00 74.05 H new ATOM 0 HG2 GLU A 92 -5.646 8.054 -16.204 1.00 71.05 H new ATOM 0 HG3 GLU A 92 -7.392 8.195 -16.144 1.00 71.05 H new ATOM 1572 N PHE A 93 -5.391 6.824 -11.595 1.00 44.05 N ATOM 1573 CA PHE A 93 -5.641 6.333 -10.231 1.00 13.12 C ATOM 1574 C PHE A 93 -4.518 6.795 -9.267 1.00 73.04 C ATOM 1575 O PHE A 93 -4.787 7.106 -8.109 1.00 72.11 O ATOM 1576 CB PHE A 93 -5.792 4.784 -10.241 1.00 64.31 C ATOM 1577 CG PHE A 93 -6.408 4.187 -8.968 1.00 51.03 C ATOM 1578 CD1 PHE A 93 -7.655 4.627 -8.511 1.00 41.40 C ATOM 1579 CD2 PHE A 93 -5.761 3.184 -8.241 1.00 15.05 C ATOM 1580 CE1 PHE A 93 -8.225 4.086 -7.373 1.00 11.43 C ATOM 1581 CE2 PHE A 93 -6.333 2.648 -7.103 1.00 45.12 C ATOM 1582 CZ PHE A 93 -7.565 3.099 -6.671 1.00 63.34 C ATOM 0 H PHE A 93 -5.222 6.083 -12.275 1.00 44.05 H new ATOM 0 HA PHE A 93 -6.575 6.759 -9.865 1.00 13.12 H new ATOM 0 HB2 PHE A 93 -6.408 4.499 -11.094 1.00 64.31 H new ATOM 0 HB3 PHE A 93 -4.809 4.339 -10.395 1.00 64.31 H new ATOM 0 HD1 PHE A 93 -8.179 5.399 -9.054 1.00 41.40 H new ATOM 0 HD2 PHE A 93 -4.799 2.822 -8.574 1.00 15.05 H new ATOM 0 HE1 PHE A 93 -9.188 4.437 -7.033 1.00 11.43 H new ATOM 0 HE2 PHE A 93 -5.817 1.876 -6.551 1.00 45.12 H new ATOM 0 HZ PHE A 93 -8.012 2.678 -5.782 1.00 63.34 H new ATOM 1592 N LYS A 94 -3.268 6.887 -9.788 1.00 52.01 N ATOM 1593 CA LYS A 94 -2.086 7.329 -9.005 1.00 62.34 C ATOM 1594 C LYS A 94 -2.245 8.786 -8.533 1.00 45.43 C ATOM 1595 O LYS A 94 -2.229 9.056 -7.326 1.00 35.34 O ATOM 1596 CB LYS A 94 -0.775 7.153 -9.851 1.00 12.35 C ATOM 1597 CG LYS A 94 0.584 7.351 -9.099 1.00 10.05 C ATOM 1598 CD LYS A 94 1.075 8.819 -8.973 1.00 1.31 C ATOM 1599 CE LYS A 94 1.391 9.471 -10.332 1.00 41.30 C ATOM 1600 NZ LYS A 94 2.051 10.797 -10.171 1.00 63.42 N ATOM 0 H LYS A 94 -3.052 6.658 -10.758 1.00 52.01 H new ATOM 0 HA LYS A 94 -2.011 6.702 -8.117 1.00 62.34 H new ATOM 0 HB2 LYS A 94 -0.781 6.152 -10.283 1.00 12.35 H new ATOM 0 HB3 LYS A 94 -0.809 7.858 -10.681 1.00 12.35 H new ATOM 0 HG2 LYS A 94 0.489 6.932 -8.097 1.00 10.05 H new ATOM 0 HG3 LYS A 94 1.351 6.773 -9.615 1.00 10.05 H new ATOM 0 HD2 LYS A 94 0.313 9.408 -8.463 1.00 1.31 H new ATOM 0 HD3 LYS A 94 1.968 8.844 -8.349 1.00 1.31 H new ATOM 0 HE2 LYS A 94 2.038 8.811 -10.910 1.00 41.30 H new ATOM 0 HE3 LYS A 94 0.469 9.591 -10.901 1.00 41.30 H new ATOM 0 HZ1 LYS A 94 1.872 11.378 -11.015 1.00 63.42 H new ATOM 0 HZ2 LYS A 94 1.667 11.277 -9.332 1.00 63.42 H new ATOM 0 HZ3 LYS A 94 3.076 10.663 -10.054 1.00 63.42 H new ATOM 1614 N ARG A 95 -2.418 9.708 -9.506 1.00 40.50 N ATOM 1615 CA ARG A 95 -2.400 11.170 -9.254 1.00 52.13 C ATOM 1616 C ARG A 95 -3.584 11.630 -8.381 1.00 54.32 C ATOM 1617 O ARG A 95 -3.443 12.576 -7.599 1.00 70.01 O ATOM 1618 CB ARG A 95 -2.352 11.960 -10.592 1.00 32.34 C ATOM 1619 CG ARG A 95 -3.529 11.699 -11.556 1.00 1.21 C ATOM 1620 CD ARG A 95 -3.416 12.514 -12.859 1.00 34.51 C ATOM 1621 NE ARG A 95 -2.104 12.352 -13.514 1.00 51.23 N ATOM 1622 CZ ARG A 95 -1.486 13.289 -14.259 1.00 73.25 C ATOM 1623 NH1 ARG A 95 -2.050 14.482 -14.482 1.00 13.33 N ATOM 1624 NH2 ARG A 95 -0.282 13.032 -14.754 1.00 73.45 N ATOM 0 H ARG A 95 -2.573 9.463 -10.484 1.00 40.50 H new ATOM 0 HA ARG A 95 -1.492 11.387 -8.692 1.00 52.13 H new ATOM 0 HB2 ARG A 95 -2.320 13.026 -10.365 1.00 32.34 H new ATOM 0 HB3 ARG A 95 -1.422 11.716 -11.106 1.00 32.34 H new ATOM 0 HG2 ARG A 95 -3.568 10.637 -11.798 1.00 1.21 H new ATOM 0 HG3 ARG A 95 -4.466 11.947 -11.056 1.00 1.21 H new ATOM 0 HD2 ARG A 95 -4.203 12.204 -13.547 1.00 34.51 H new ATOM 0 HD3 ARG A 95 -3.581 13.569 -12.640 1.00 34.51 H new ATOM 0 HE ARG A 95 -1.626 11.459 -13.393 1.00 51.23 H new ATOM 0 HH11 ARG A 95 -2.965 14.696 -14.085 1.00 13.33 H new ATOM 0 HH12 ARG A 95 -1.565 15.177 -15.049 1.00 13.33 H new ATOM 0 HH21 ARG A 95 0.164 12.134 -14.569 1.00 73.45 H new ATOM 0 HH22 ARG A 95 0.197 13.733 -15.320 1.00 73.45 H new ATOM 1638 N LYS A 96 -4.731 10.937 -8.504 1.00 42.50 N ATOM 1639 CA LYS A 96 -5.940 11.221 -7.696 1.00 63.20 C ATOM 1640 C LYS A 96 -5.683 10.957 -6.193 1.00 23.33 C ATOM 1641 O LYS A 96 -6.110 11.735 -5.330 1.00 22.50 O ATOM 1642 CB LYS A 96 -7.137 10.369 -8.209 1.00 73.51 C ATOM 1643 CG LYS A 96 -7.606 10.739 -9.641 1.00 4.22 C ATOM 1644 CD LYS A 96 -8.656 9.755 -10.216 1.00 72.45 C ATOM 1645 CE LYS A 96 -9.081 10.116 -11.650 1.00 42.30 C ATOM 1646 NZ LYS A 96 -10.108 9.176 -12.179 1.00 32.21 N ATOM 0 H LYS A 96 -4.850 10.167 -9.162 1.00 42.50 H new ATOM 0 HA LYS A 96 -6.187 12.277 -7.808 1.00 63.20 H new ATOM 0 HB2 LYS A 96 -6.855 9.316 -8.191 1.00 73.51 H new ATOM 0 HB3 LYS A 96 -7.975 10.487 -7.521 1.00 73.51 H new ATOM 0 HG2 LYS A 96 -8.028 11.744 -9.629 1.00 4.22 H new ATOM 0 HG3 LYS A 96 -6.741 10.765 -10.304 1.00 4.22 H new ATOM 0 HD2 LYS A 96 -8.246 8.745 -10.206 1.00 72.45 H new ATOM 0 HD3 LYS A 96 -9.535 9.749 -9.571 1.00 72.45 H new ATOM 0 HE2 LYS A 96 -9.476 11.132 -11.667 1.00 42.30 H new ATOM 0 HE3 LYS A 96 -8.207 10.103 -12.302 1.00 42.30 H new ATOM 0 HZ1 LYS A 96 -10.367 9.454 -13.147 1.00 32.21 H new ATOM 0 HZ2 LYS A 96 -9.723 8.210 -12.187 1.00 32.21 H new ATOM 0 HZ3 LYS A 96 -10.952 9.207 -11.572 1.00 32.21 H new ATOM 1660 N ILE A 97 -4.960 9.864 -5.902 1.00 23.52 N ATOM 1661 CA ILE A 97 -4.619 9.449 -4.520 1.00 23.54 C ATOM 1662 C ILE A 97 -3.387 10.221 -4.003 1.00 55.53 C ATOM 1663 O ILE A 97 -3.225 10.442 -2.793 1.00 14.01 O ATOM 1664 CB ILE A 97 -4.349 7.906 -4.466 1.00 24.42 C ATOM 1665 CG1 ILE A 97 -5.572 7.124 -5.035 1.00 53.23 C ATOM 1666 CG2 ILE A 97 -4.018 7.439 -3.027 1.00 14.54 C ATOM 1667 CD1 ILE A 97 -5.310 5.653 -5.286 1.00 20.03 C ATOM 0 H ILE A 97 -4.591 9.237 -6.617 1.00 23.52 H new ATOM 0 HA ILE A 97 -5.467 9.683 -3.876 1.00 23.54 H new ATOM 0 HB ILE A 97 -3.479 7.694 -5.087 1.00 24.42 H new ATOM 0 HG12 ILE A 97 -6.405 7.219 -4.338 1.00 53.23 H new ATOM 0 HG13 ILE A 97 -5.883 7.590 -5.970 1.00 53.23 H new ATOM 0 HG21 ILE A 97 -3.836 6.364 -3.026 1.00 14.54 H new ATOM 0 HG22 ILE A 97 -3.128 7.958 -2.672 1.00 14.54 H new ATOM 0 HG23 ILE A 97 -4.857 7.666 -2.369 1.00 14.54 H new ATOM 0 HD11 ILE A 97 -6.212 5.185 -5.681 1.00 20.03 H new ATOM 0 HD12 ILE A 97 -4.500 5.546 -6.007 1.00 20.03 H new ATOM 0 HD13 ILE A 97 -5.030 5.169 -4.351 1.00 20.03 H new ATOM 1679 N GLU A 98 -2.528 10.642 -4.938 1.00 54.21 N ATOM 1680 CA GLU A 98 -1.361 11.483 -4.638 1.00 3.34 C ATOM 1681 C GLU A 98 -1.828 12.904 -4.240 1.00 72.31 C ATOM 1682 O GLU A 98 -1.172 13.586 -3.442 1.00 52.51 O ATOM 1683 CB GLU A 98 -0.410 11.505 -5.857 1.00 53.41 C ATOM 1684 CG GLU A 98 0.835 12.391 -5.680 1.00 72.04 C ATOM 1685 CD GLU A 98 1.819 12.312 -6.855 1.00 20.50 C ATOM 1686 OE1 GLU A 98 1.405 12.562 -8.002 1.00 11.50 O ATOM 1687 OE2 GLU A 98 3.011 12.023 -6.636 1.00 34.11 O ATOM 0 H GLU A 98 -2.622 10.409 -5.927 1.00 54.21 H new ATOM 0 HA GLU A 98 -0.809 11.070 -3.794 1.00 3.34 H new ATOM 0 HB2 GLU A 98 -0.088 10.485 -6.068 1.00 53.41 H new ATOM 0 HB3 GLU A 98 -0.965 11.851 -6.729 1.00 53.41 H new ATOM 0 HG2 GLU A 98 0.518 13.426 -5.551 1.00 72.04 H new ATOM 0 HG3 GLU A 98 1.351 12.099 -4.765 1.00 72.04 H new ATOM 1694 N SER A 99 -3.012 13.300 -4.763 1.00 5.10 N ATOM 1695 CA SER A 99 -3.669 14.577 -4.425 1.00 23.14 C ATOM 1696 C SER A 99 -4.337 14.500 -3.031 1.00 41.22 C ATOM 1697 O SER A 99 -4.667 15.529 -2.444 1.00 64.30 O ATOM 1698 CB SER A 99 -4.709 14.939 -5.509 1.00 15.43 C ATOM 1699 OG SER A 99 -5.244 16.242 -5.320 1.00 1.30 O ATOM 0 H SER A 99 -3.537 12.738 -5.433 1.00 5.10 H new ATOM 0 HA SER A 99 -2.911 15.360 -4.391 1.00 23.14 H new ATOM 0 HB2 SER A 99 -4.244 14.877 -6.493 1.00 15.43 H new ATOM 0 HB3 SER A 99 -5.518 14.209 -5.493 1.00 15.43 H new ATOM 0 HG SER A 99 -5.896 16.433 -6.026 1.00 1.30 H new ATOM 1705 N GLN A 100 -4.523 13.260 -2.506 1.00 0.11 N ATOM 1706 CA GLN A 100 -4.994 13.033 -1.117 1.00 33.34 C ATOM 1707 C GLN A 100 -3.843 13.247 -0.104 1.00 43.25 C ATOM 1708 O GLN A 100 -4.072 13.203 1.112 1.00 63.44 O ATOM 1709 CB GLN A 100 -5.587 11.599 -0.940 1.00 4.53 C ATOM 1710 CG GLN A 100 -6.687 11.163 -1.942 1.00 42.22 C ATOM 1711 CD GLN A 100 -7.973 12.012 -1.937 1.00 14.34 C ATOM 1712 OE1 GLN A 100 -7.950 13.229 -1.763 1.00 2.23 O ATOM 1713 NE2 GLN A 100 -9.119 11.363 -2.098 1.00 41.14 N ATOM 0 H GLN A 100 -4.353 12.400 -3.028 1.00 0.11 H new ATOM 0 HA GLN A 100 -5.783 13.759 -0.922 1.00 33.34 H new ATOM 0 HB2 GLN A 100 -4.767 10.883 -1.004 1.00 4.53 H new ATOM 0 HB3 GLN A 100 -5.997 11.524 0.067 1.00 4.53 H new ATOM 0 HG2 GLN A 100 -6.265 11.183 -2.947 1.00 42.22 H new ATOM 0 HG3 GLN A 100 -6.956 10.128 -1.729 1.00 42.22 H new ATOM 0 HE21 GLN A 100 -9.117 10.353 -2.241 1.00 41.14 H new ATOM 0 HE22 GLN A 100 -10.002 11.874 -2.079 1.00 41.14 H new ATOM 1722 N GLY A 101 -2.611 13.462 -0.624 1.00 12.44 N ATOM 1723 CA GLY A 101 -1.428 13.721 0.198 1.00 62.12 C ATOM 1724 C GLY A 101 -0.717 12.441 0.599 1.00 11.12 C ATOM 1725 O GLY A 101 -0.414 12.230 1.778 1.00 20.15 O ATOM 0 H GLY A 101 -2.420 13.459 -1.626 1.00 12.44 H new ATOM 0 HA2 GLY A 101 -0.738 14.361 -0.352 1.00 62.12 H new ATOM 0 HA3 GLY A 101 -1.723 14.267 1.094 1.00 62.12 H new ATOM 1729 N TYR A 102 -0.452 11.580 -0.400 1.00 11.34 N ATOM 1730 CA TYR A 102 0.265 10.302 -0.205 1.00 25.34 C ATOM 1731 C TYR A 102 1.379 10.159 -1.243 1.00 72.41 C ATOM 1732 O TYR A 102 1.225 10.602 -2.391 1.00 12.21 O ATOM 1733 CB TYR A 102 -0.707 9.084 -0.298 1.00 71.25 C ATOM 1734 CG TYR A 102 -1.754 9.046 0.820 1.00 13.01 C ATOM 1735 CD1 TYR A 102 -1.357 9.083 2.157 1.00 52.13 C ATOM 1736 CD2 TYR A 102 -3.125 8.990 0.552 1.00 43.41 C ATOM 1737 CE1 TYR A 102 -2.276 9.071 3.182 1.00 31.14 C ATOM 1738 CE2 TYR A 102 -4.050 8.974 1.583 1.00 22.33 C ATOM 1739 CZ TYR A 102 -3.616 9.018 2.894 1.00 1.00 C ATOM 1740 OH TYR A 102 -4.525 9.021 3.923 1.00 23.22 O ATOM 0 H TYR A 102 -0.728 11.749 -1.367 1.00 11.34 H new ATOM 0 HA TYR A 102 0.700 10.313 0.794 1.00 25.34 H new ATOM 0 HB2 TYR A 102 -1.217 9.110 -1.261 1.00 71.25 H new ATOM 0 HB3 TYR A 102 -0.125 8.163 -0.270 1.00 71.25 H new ATOM 0 HD1 TYR A 102 -0.304 9.122 2.393 1.00 52.13 H new ATOM 0 HD2 TYR A 102 -3.467 8.959 -0.472 1.00 43.41 H new ATOM 0 HE1 TYR A 102 -1.943 9.103 4.209 1.00 31.14 H new ATOM 0 HE2 TYR A 102 -5.106 8.927 1.363 1.00 22.33 H new ATOM 0 HH TYR A 102 -5.332 8.538 3.648 1.00 23.22 H new ATOM 1750 N GLU A 103 2.507 9.546 -0.823 1.00 2.30 N ATOM 1751 CA GLU A 103 3.600 9.193 -1.735 1.00 22.51 C ATOM 1752 C GLU A 103 3.195 7.936 -2.504 1.00 72.12 C ATOM 1753 O GLU A 103 3.412 6.816 -2.046 1.00 2.01 O ATOM 1754 CB GLU A 103 4.940 9.003 -0.959 1.00 20.50 C ATOM 1755 CG GLU A 103 6.162 8.590 -1.828 1.00 33.53 C ATOM 1756 CD GLU A 103 6.414 9.525 -3.021 1.00 44.25 C ATOM 1757 OE1 GLU A 103 6.621 10.739 -2.791 1.00 42.24 O ATOM 1758 OE2 GLU A 103 6.411 9.064 -4.190 1.00 4.33 O ATOM 0 H GLU A 103 2.678 9.287 0.149 1.00 2.30 H new ATOM 0 HA GLU A 103 3.774 10.003 -2.444 1.00 22.51 H new ATOM 0 HB2 GLU A 103 5.179 9.935 -0.447 1.00 20.50 H new ATOM 0 HB3 GLU A 103 4.790 8.246 -0.190 1.00 20.50 H new ATOM 0 HG2 GLU A 103 7.053 8.568 -1.200 1.00 33.53 H new ATOM 0 HG3 GLU A 103 6.008 7.576 -2.198 1.00 33.53 H new ATOM 1765 N VAL A 104 2.566 8.147 -3.665 1.00 24.42 N ATOM 1766 CA VAL A 104 2.045 7.071 -4.509 1.00 51.43 C ATOM 1767 C VAL A 104 2.987 6.905 -5.702 1.00 22.43 C ATOM 1768 O VAL A 104 3.375 7.903 -6.315 1.00 41.44 O ATOM 1769 CB VAL A 104 0.587 7.389 -5.014 1.00 24.13 C ATOM 1770 CG1 VAL A 104 -0.015 6.187 -5.774 1.00 15.21 C ATOM 1771 CG2 VAL A 104 -0.329 7.826 -3.847 1.00 41.23 C ATOM 0 H VAL A 104 2.404 9.079 -4.047 1.00 24.42 H new ATOM 0 HA VAL A 104 1.993 6.151 -3.927 1.00 51.43 H new ATOM 0 HB VAL A 104 0.655 8.224 -5.712 1.00 24.13 H new ATOM 0 HG11 VAL A 104 -1.021 6.436 -6.110 1.00 15.21 H new ATOM 0 HG12 VAL A 104 0.608 5.953 -6.637 1.00 15.21 H new ATOM 0 HG13 VAL A 104 -0.057 5.322 -5.112 1.00 15.21 H new ATOM 0 HG21 VAL A 104 -1.328 8.038 -4.228 1.00 41.23 H new ATOM 0 HG22 VAL A 104 -0.385 7.026 -3.109 1.00 41.23 H new ATOM 0 HG23 VAL A 104 0.079 8.722 -3.380 1.00 41.23 H new ATOM 1781 N ARG A 105 3.359 5.662 -6.026 1.00 31.13 N ATOM 1782 CA ARG A 105 4.308 5.386 -7.118 1.00 55.22 C ATOM 1783 C ARG A 105 3.657 4.471 -8.167 1.00 75.52 C ATOM 1784 O ARG A 105 2.840 3.602 -7.830 1.00 11.12 O ATOM 1785 CB ARG A 105 5.616 4.748 -6.545 1.00 14.04 C ATOM 1786 CG ARG A 105 6.929 5.195 -7.234 1.00 31.22 C ATOM 1787 CD ARG A 105 7.236 6.686 -6.971 1.00 61.14 C ATOM 1788 NE ARG A 105 8.538 7.100 -7.518 1.00 41.34 N ATOM 1789 CZ ARG A 105 9.212 8.205 -7.150 1.00 64.12 C ATOM 1790 NH1 ARG A 105 8.730 9.035 -6.216 1.00 0.32 N ATOM 1791 NH2 ARG A 105 10.368 8.483 -7.740 1.00 61.02 N ATOM 0 H ARG A 105 3.018 4.827 -5.549 1.00 31.13 H new ATOM 0 HA ARG A 105 4.574 6.323 -7.606 1.00 55.22 H new ATOM 0 HB2 ARG A 105 5.682 4.988 -5.484 1.00 14.04 H new ATOM 0 HB3 ARG A 105 5.536 3.664 -6.623 1.00 14.04 H new ATOM 0 HG2 ARG A 105 7.756 4.584 -6.872 1.00 31.22 H new ATOM 0 HG3 ARG A 105 6.853 5.023 -8.308 1.00 31.22 H new ATOM 0 HD2 ARG A 105 6.449 7.298 -7.412 1.00 61.14 H new ATOM 0 HD3 ARG A 105 7.221 6.872 -5.897 1.00 61.14 H new ATOM 0 HE ARG A 105 8.961 6.504 -8.230 1.00 41.34 H new ATOM 0 HH11 ARG A 105 7.835 8.835 -5.769 1.00 0.32 H new ATOM 0 HH12 ARG A 105 9.257 9.867 -5.952 1.00 0.32 H new ATOM 0 HH21 ARG A 105 10.734 7.863 -8.462 1.00 61.02 H new ATOM 0 HH22 ARG A 105 10.890 9.317 -7.471 1.00 61.02 H new ATOM 1805 N LYS A 106 4.040 4.687 -9.427 1.00 31.14 N ATOM 1806 CA LYS A 106 3.653 3.847 -10.561 1.00 74.12 C ATOM 1807 C LYS A 106 4.771 2.841 -10.810 1.00 33.13 C ATOM 1808 O LYS A 106 5.952 3.204 -10.742 1.00 42.43 O ATOM 1809 CB LYS A 106 3.468 4.713 -11.839 1.00 14.24 C ATOM 1810 CG LYS A 106 2.345 5.769 -11.765 1.00 12.34 C ATOM 1811 CD LYS A 106 2.271 6.648 -13.039 1.00 44.20 C ATOM 1812 CE LYS A 106 1.940 5.851 -14.309 1.00 23.40 C ATOM 1813 NZ LYS A 106 2.057 6.689 -15.535 1.00 63.54 N ATOM 0 H LYS A 106 4.641 5.467 -9.693 1.00 31.14 H new ATOM 0 HA LYS A 106 2.713 3.343 -10.336 1.00 74.12 H new ATOM 0 HB2 LYS A 106 4.408 5.221 -12.052 1.00 14.24 H new ATOM 0 HB3 LYS A 106 3.266 4.050 -12.680 1.00 14.24 H new ATOM 0 HG2 LYS A 106 1.388 5.268 -11.618 1.00 12.34 H new ATOM 0 HG3 LYS A 106 2.508 6.407 -10.896 1.00 12.34 H new ATOM 0 HD2 LYS A 106 1.515 7.420 -12.896 1.00 44.20 H new ATOM 0 HD3 LYS A 106 3.225 7.157 -13.176 1.00 44.20 H new ATOM 0 HE2 LYS A 106 2.612 4.997 -14.387 1.00 23.40 H new ATOM 0 HE3 LYS A 106 0.927 5.454 -14.235 1.00 23.40 H new ATOM 0 HZ1 LYS A 106 1.401 6.336 -16.261 1.00 63.54 H new ATOM 0 HZ2 LYS A 106 1.821 7.675 -15.305 1.00 63.54 H new ATOM 0 HZ3 LYS A 106 3.031 6.642 -15.896 1.00 63.54 H new ATOM 1827 N VAL A 107 4.403 1.594 -11.090 1.00 24.31 N ATOM 1828 CA VAL A 107 5.372 0.559 -11.437 1.00 4.23 C ATOM 1829 C VAL A 107 4.784 -0.408 -12.476 1.00 53.12 C ATOM 1830 O VAL A 107 3.605 -0.768 -12.413 1.00 12.23 O ATOM 1831 CB VAL A 107 5.882 -0.207 -10.160 1.00 43.34 C ATOM 1832 CG1 VAL A 107 4.742 -0.865 -9.362 1.00 10.11 C ATOM 1833 CG2 VAL A 107 6.958 -1.228 -10.530 1.00 22.23 C ATOM 0 H VAL A 107 3.434 1.274 -11.083 1.00 24.31 H new ATOM 0 HA VAL A 107 6.238 1.047 -11.884 1.00 4.23 H new ATOM 0 HB VAL A 107 6.325 0.541 -9.503 1.00 43.34 H new ATOM 0 HG11 VAL A 107 5.155 -1.378 -8.493 1.00 10.11 H new ATOM 0 HG12 VAL A 107 4.040 -0.099 -9.032 1.00 10.11 H new ATOM 0 HG13 VAL A 107 4.223 -1.584 -9.995 1.00 10.11 H new ATOM 0 HG21 VAL A 107 7.294 -1.744 -9.631 1.00 22.23 H new ATOM 0 HG22 VAL A 107 6.546 -1.953 -11.232 1.00 22.23 H new ATOM 0 HG23 VAL A 107 7.802 -0.716 -10.992 1.00 22.23 H new ATOM 1843 N THR A 108 5.615 -0.766 -13.459 1.00 31.11 N ATOM 1844 CA THR A 108 5.282 -1.742 -14.497 1.00 51.23 C ATOM 1845 C THR A 108 6.006 -3.074 -14.204 1.00 4.04 C ATOM 1846 O THR A 108 5.372 -4.124 -14.077 1.00 42.34 O ATOM 1847 CB THR A 108 5.678 -1.184 -15.910 1.00 62.02 C ATOM 1848 OG1 THR A 108 7.053 -0.757 -15.900 1.00 73.13 O ATOM 1849 CG2 THR A 108 4.788 0.004 -16.341 1.00 45.34 C ATOM 0 H THR A 108 6.553 -0.378 -13.556 1.00 31.11 H new ATOM 0 HA THR A 108 4.207 -1.923 -14.496 1.00 51.23 H new ATOM 0 HB THR A 108 5.533 -1.993 -16.626 1.00 62.02 H new ATOM 0 HG1 THR A 108 7.295 -0.412 -16.785 1.00 73.13 H new ATOM 0 HG21 THR A 108 5.101 0.355 -17.324 1.00 45.34 H new ATOM 0 HG22 THR A 108 3.748 -0.318 -16.385 1.00 45.34 H new ATOM 0 HG23 THR A 108 4.887 0.814 -15.618 1.00 45.34 H new ATOM 1857 N ASP A 109 7.339 -2.998 -14.014 1.00 62.11 N ATOM 1858 CA ASP A 109 8.201 -4.188 -13.841 1.00 44.30 C ATOM 1859 C ASP A 109 8.026 -4.779 -12.431 1.00 3.41 C ATOM 1860 O ASP A 109 7.948 -4.045 -11.445 1.00 35.23 O ATOM 1861 CB ASP A 109 9.689 -3.817 -14.088 1.00 23.43 C ATOM 1862 CG ASP A 109 9.968 -3.351 -15.526 1.00 40.40 C ATOM 1863 OD1 ASP A 109 9.810 -2.144 -15.812 1.00 54.14 O ATOM 1864 OD2 ASP A 109 10.340 -4.190 -16.378 1.00 3.43 O ATOM 0 H ASP A 109 7.848 -2.115 -13.976 1.00 62.11 H new ATOM 0 HA ASP A 109 7.903 -4.940 -14.572 1.00 44.30 H new ATOM 0 HB2 ASP A 109 9.979 -3.028 -13.395 1.00 23.43 H new ATOM 0 HB3 ASP A 109 10.314 -4.682 -13.866 1.00 23.43 H new ATOM 1869 N ASP A 110 7.997 -6.113 -12.351 1.00 74.41 N ATOM 1870 CA ASP A 110 7.753 -6.853 -11.091 1.00 14.10 C ATOM 1871 C ASP A 110 8.977 -6.735 -10.162 1.00 35.54 C ATOM 1872 O ASP A 110 8.847 -6.626 -8.938 1.00 53.52 O ATOM 1873 CB ASP A 110 7.446 -8.345 -11.397 1.00 73.50 C ATOM 1874 CG ASP A 110 6.477 -8.539 -12.578 1.00 45.21 C ATOM 1875 OD1 ASP A 110 6.953 -8.589 -13.733 1.00 74.02 O ATOM 1876 OD2 ASP A 110 5.248 -8.619 -12.369 1.00 44.24 O ATOM 0 H ASP A 110 8.142 -6.720 -13.158 1.00 74.41 H new ATOM 0 HA ASP A 110 6.890 -6.418 -10.587 1.00 14.10 H new ATOM 0 HB2 ASP A 110 8.380 -8.864 -11.614 1.00 73.50 H new ATOM 0 HB3 ASP A 110 7.022 -8.811 -10.508 1.00 73.50 H new ATOM 1881 N GLU A 111 10.167 -6.742 -10.781 1.00 12.25 N ATOM 1882 CA GLU A 111 11.455 -6.555 -10.079 1.00 43.11 C ATOM 1883 C GLU A 111 11.548 -5.135 -9.477 1.00 45.02 C ATOM 1884 O GLU A 111 12.109 -4.932 -8.391 1.00 64.24 O ATOM 1885 CB GLU A 111 12.624 -6.800 -11.068 1.00 74.31 C ATOM 1886 CG GLU A 111 12.614 -5.871 -12.304 1.00 74.12 C ATOM 1887 CD GLU A 111 13.817 -6.068 -13.235 1.00 23.34 C ATOM 1888 OE1 GLU A 111 14.905 -5.538 -12.933 1.00 53.44 O ATOM 1889 OE2 GLU A 111 13.677 -6.739 -14.281 1.00 0.31 O ATOM 0 H GLU A 111 10.268 -6.878 -11.787 1.00 12.25 H new ATOM 0 HA GLU A 111 11.519 -7.273 -9.261 1.00 43.11 H new ATOM 0 HB2 GLU A 111 13.567 -6.670 -10.537 1.00 74.31 H new ATOM 0 HB3 GLU A 111 12.588 -7.836 -11.406 1.00 74.31 H new ATOM 0 HG2 GLU A 111 11.697 -6.042 -12.868 1.00 74.12 H new ATOM 0 HG3 GLU A 111 12.592 -4.834 -11.968 1.00 74.12 H new ATOM 1896 N GLU A 112 10.964 -4.176 -10.208 1.00 4.21 N ATOM 1897 CA GLU A 112 10.936 -2.758 -9.851 1.00 72.15 C ATOM 1898 C GLU A 112 9.944 -2.528 -8.700 1.00 63.12 C ATOM 1899 O GLU A 112 10.185 -1.690 -7.837 1.00 21.24 O ATOM 1900 CB GLU A 112 10.574 -1.947 -11.115 1.00 54.30 C ATOM 1901 CG GLU A 112 10.528 -0.416 -10.970 1.00 33.40 C ATOM 1902 CD GLU A 112 10.161 0.295 -12.291 1.00 23.40 C ATOM 1903 OE1 GLU A 112 9.060 0.034 -12.830 1.00 32.30 O ATOM 1904 OE2 GLU A 112 10.955 1.125 -12.787 1.00 54.31 O ATOM 0 H GLU A 112 10.486 -4.374 -11.087 1.00 4.21 H new ATOM 0 HA GLU A 112 11.911 -2.424 -9.496 1.00 72.15 H new ATOM 0 HB2 GLU A 112 11.296 -2.192 -11.894 1.00 54.30 H new ATOM 0 HB3 GLU A 112 9.599 -2.284 -11.467 1.00 54.30 H new ATOM 0 HG2 GLU A 112 9.800 -0.149 -10.204 1.00 33.40 H new ATOM 0 HG3 GLU A 112 11.499 -0.058 -10.626 1.00 33.40 H new ATOM 1911 N ALA A 113 8.851 -3.322 -8.676 1.00 13.44 N ATOM 1912 CA ALA A 113 7.846 -3.262 -7.602 1.00 21.24 C ATOM 1913 C ALA A 113 8.493 -3.552 -6.239 1.00 11.23 C ATOM 1914 O ALA A 113 8.359 -2.761 -5.306 1.00 45.13 O ATOM 1915 CB ALA A 113 6.692 -4.236 -7.886 1.00 22.13 C ATOM 0 H ALA A 113 8.645 -4.015 -9.395 1.00 13.44 H new ATOM 0 HA ALA A 113 7.434 -2.253 -7.570 1.00 21.24 H new ATOM 0 HB1 ALA A 113 5.960 -4.177 -7.081 1.00 22.13 H new ATOM 0 HB2 ALA A 113 6.216 -3.971 -8.830 1.00 22.13 H new ATOM 0 HB3 ALA A 113 7.081 -5.252 -7.949 1.00 22.13 H new ATOM 1921 N LEU A 114 9.264 -4.654 -6.187 1.00 74.43 N ATOM 1922 CA LEU A 114 9.975 -5.106 -4.974 1.00 13.14 C ATOM 1923 C LEU A 114 10.915 -4.009 -4.426 1.00 3.13 C ATOM 1924 O LEU A 114 10.921 -3.728 -3.219 1.00 2.21 O ATOM 1925 CB LEU A 114 10.798 -6.386 -5.295 1.00 22.34 C ATOM 1926 CG LEU A 114 10.001 -7.623 -5.823 1.00 14.22 C ATOM 1927 CD1 LEU A 114 10.959 -8.756 -6.251 1.00 25.24 C ATOM 1928 CD2 LEU A 114 8.974 -8.121 -4.782 1.00 33.40 C ATOM 0 H LEU A 114 9.413 -5.262 -6.992 1.00 74.43 H new ATOM 0 HA LEU A 114 9.230 -5.325 -4.209 1.00 13.14 H new ATOM 0 HB2 LEU A 114 11.553 -6.127 -6.037 1.00 22.34 H new ATOM 0 HB3 LEU A 114 11.328 -6.684 -4.391 1.00 22.34 H new ATOM 0 HG LEU A 114 9.443 -7.305 -6.704 1.00 14.22 H new ATOM 0 HD11 LEU A 114 10.379 -9.605 -6.614 1.00 25.24 H new ATOM 0 HD12 LEU A 114 11.615 -8.398 -7.045 1.00 25.24 H new ATOM 0 HD13 LEU A 114 11.560 -9.066 -5.396 1.00 25.24 H new ATOM 0 HD21 LEU A 114 8.438 -8.982 -5.182 1.00 33.40 H new ATOM 0 HD22 LEU A 114 9.493 -8.410 -3.868 1.00 33.40 H new ATOM 0 HD23 LEU A 114 8.265 -7.323 -4.560 1.00 33.40 H new ATOM 1940 N LYS A 115 11.674 -3.365 -5.341 1.00 40.42 N ATOM 1941 CA LYS A 115 12.736 -2.411 -4.969 1.00 75.33 C ATOM 1942 C LYS A 115 12.150 -1.057 -4.509 1.00 72.34 C ATOM 1943 O LYS A 115 12.760 -0.376 -3.682 1.00 32.31 O ATOM 1944 CB LYS A 115 13.761 -2.219 -6.129 1.00 12.42 C ATOM 1945 CG LYS A 115 13.300 -1.312 -7.288 1.00 64.14 C ATOM 1946 CD LYS A 115 14.323 -1.222 -8.442 1.00 22.34 C ATOM 1947 CE LYS A 115 15.675 -0.623 -8.012 1.00 41.21 C ATOM 1948 NZ LYS A 115 16.652 -0.610 -9.138 1.00 13.21 N ATOM 0 H LYS A 115 11.567 -3.492 -6.347 1.00 40.42 H new ATOM 0 HA LYS A 115 13.272 -2.839 -4.122 1.00 75.33 H new ATOM 0 HB2 LYS A 115 14.680 -1.806 -5.712 1.00 12.42 H new ATOM 0 HB3 LYS A 115 14.008 -3.199 -6.536 1.00 12.42 H new ATOM 0 HG2 LYS A 115 12.354 -1.688 -7.679 1.00 64.14 H new ATOM 0 HG3 LYS A 115 13.110 -0.310 -6.902 1.00 64.14 H new ATOM 0 HD2 LYS A 115 14.489 -2.219 -8.850 1.00 22.34 H new ATOM 0 HD3 LYS A 115 13.903 -0.615 -9.244 1.00 22.34 H new ATOM 0 HE2 LYS A 115 15.524 0.393 -7.649 1.00 41.21 H new ATOM 0 HE3 LYS A 115 16.082 -1.201 -7.183 1.00 41.21 H new ATOM 0 HZ1 LYS A 115 17.551 -0.200 -8.813 1.00 13.21 H new ATOM 0 HZ2 LYS A 115 16.814 -1.583 -9.468 1.00 13.21 H new ATOM 0 HZ3 LYS A 115 16.273 -0.038 -9.920 1.00 13.21 H new ATOM 1962 N ILE A 116 10.959 -0.671 -5.036 1.00 71.21 N ATOM 1963 CA ILE A 116 10.270 0.574 -4.611 1.00 2.44 C ATOM 1964 C ILE A 116 9.680 0.406 -3.191 1.00 45.43 C ATOM 1965 O ILE A 116 9.638 1.373 -2.420 1.00 50.15 O ATOM 1966 CB ILE A 116 9.154 1.031 -5.635 1.00 71.42 C ATOM 1967 CG1 ILE A 116 9.758 1.288 -7.054 1.00 45.11 C ATOM 1968 CG2 ILE A 116 8.387 2.286 -5.146 1.00 65.52 C ATOM 1969 CD1 ILE A 116 10.814 2.385 -7.136 1.00 1.04 C ATOM 0 H ILE A 116 10.460 -1.200 -5.751 1.00 71.21 H new ATOM 0 HA ILE A 116 11.019 1.366 -4.592 1.00 2.44 H new ATOM 0 HB ILE A 116 8.439 0.211 -5.701 1.00 71.42 H new ATOM 0 HG12 ILE A 116 10.198 0.358 -7.415 1.00 45.11 H new ATOM 0 HG13 ILE A 116 8.945 1.541 -7.734 1.00 45.11 H new ATOM 0 HG21 ILE A 116 7.632 2.561 -5.882 1.00 65.52 H new ATOM 0 HG22 ILE A 116 7.903 2.069 -4.194 1.00 65.52 H new ATOM 0 HG23 ILE A 116 9.086 3.112 -5.017 1.00 65.52 H new ATOM 0 HD11 ILE A 116 11.163 2.478 -8.164 1.00 1.04 H new ATOM 0 HD12 ILE A 116 10.381 3.332 -6.813 1.00 1.04 H new ATOM 0 HD13 ILE A 116 11.654 2.131 -6.489 1.00 1.04 H new ATOM 1981 N VAL A 117 9.260 -0.832 -2.840 1.00 43.44 N ATOM 1982 CA VAL A 117 8.819 -1.160 -1.462 1.00 65.34 C ATOM 1983 C VAL A 117 9.995 -0.966 -0.478 1.00 3.22 C ATOM 1984 O VAL A 117 9.810 -0.446 0.628 1.00 44.14 O ATOM 1985 CB VAL A 117 8.282 -2.634 -1.338 1.00 13.43 C ATOM 1986 CG1 VAL A 117 7.765 -2.941 0.086 1.00 34.12 C ATOM 1987 CG2 VAL A 117 7.195 -2.928 -2.383 1.00 60.23 C ATOM 0 H VAL A 117 9.217 -1.618 -3.489 1.00 43.44 H new ATOM 0 HA VAL A 117 7.999 -0.485 -1.218 1.00 65.34 H new ATOM 0 HB VAL A 117 9.127 -3.294 -1.534 1.00 13.43 H new ATOM 0 HG11 VAL A 117 7.403 -3.968 0.128 1.00 34.12 H new ATOM 0 HG12 VAL A 117 8.576 -2.812 0.803 1.00 34.12 H new ATOM 0 HG13 VAL A 117 6.951 -2.259 0.332 1.00 34.12 H new ATOM 0 HG21 VAL A 117 6.848 -3.955 -2.268 1.00 60.23 H new ATOM 0 HG22 VAL A 117 6.359 -2.244 -2.240 1.00 60.23 H new ATOM 0 HG23 VAL A 117 7.606 -2.795 -3.383 1.00 60.23 H new ATOM 1997 N ARG A 118 11.210 -1.367 -0.924 1.00 2.22 N ATOM 1998 CA ARG A 118 12.455 -1.214 -0.142 1.00 22.13 C ATOM 1999 C ARG A 118 12.734 0.280 0.139 1.00 41.12 C ATOM 2000 O ARG A 118 13.111 0.649 1.259 1.00 30.54 O ATOM 2001 CB ARG A 118 13.662 -1.847 -0.892 1.00 21.13 C ATOM 2002 CG ARG A 118 13.507 -3.340 -1.267 1.00 23.01 C ATOM 2003 CD ARG A 118 13.273 -4.264 -0.058 1.00 31.14 C ATOM 2004 NE ARG A 118 14.356 -4.153 0.946 1.00 52.13 N ATOM 2005 CZ ARG A 118 14.878 -5.172 1.654 1.00 34.32 C ATOM 2006 NH1 ARG A 118 14.441 -6.419 1.498 1.00 53.03 N ATOM 2007 NH2 ARG A 118 15.866 -4.937 2.513 1.00 14.45 N ATOM 0 H ARG A 118 11.351 -1.804 -1.835 1.00 2.22 H new ATOM 0 HA ARG A 118 12.325 -1.736 0.806 1.00 22.13 H new ATOM 0 HB2 ARG A 118 13.839 -1.278 -1.805 1.00 21.13 H new ATOM 0 HB3 ARG A 118 14.551 -1.737 -0.271 1.00 21.13 H new ATOM 0 HG2 ARG A 118 12.672 -3.446 -1.960 1.00 23.01 H new ATOM 0 HG3 ARG A 118 14.403 -3.667 -1.794 1.00 23.01 H new ATOM 0 HD2 ARG A 118 12.320 -4.015 0.409 1.00 31.14 H new ATOM 0 HD3 ARG A 118 13.201 -5.296 -0.400 1.00 31.14 H new ATOM 0 HE ARG A 118 14.740 -3.223 1.116 1.00 52.13 H new ATOM 0 HH11 ARG A 118 13.696 -6.618 0.831 1.00 53.03 H new ATOM 0 HH12 ARG A 118 14.851 -7.175 2.045 1.00 53.03 H new ATOM 0 HH21 ARG A 118 16.224 -3.989 2.632 1.00 14.45 H new ATOM 0 HH22 ARG A 118 16.266 -5.705 3.053 1.00 14.45 H new ATOM 2021 N GLU A 119 12.507 1.122 -0.896 1.00 51.11 N ATOM 2022 CA GLU A 119 12.680 2.586 -0.813 1.00 22.21 C ATOM 2023 C GLU A 119 11.698 3.207 0.196 1.00 52.31 C ATOM 2024 O GLU A 119 12.082 4.060 0.998 1.00 0.01 O ATOM 2025 CB GLU A 119 12.481 3.240 -2.213 1.00 22.24 C ATOM 2026 CG GLU A 119 13.466 2.763 -3.296 1.00 44.42 C ATOM 2027 CD GLU A 119 14.938 3.006 -2.922 1.00 72.14 C ATOM 2028 OE1 GLU A 119 15.385 4.172 -2.969 1.00 54.21 O ATOM 2029 OE2 GLU A 119 15.646 2.042 -2.551 1.00 62.53 O ATOM 0 H GLU A 119 12.198 0.801 -1.814 1.00 51.11 H new ATOM 0 HA GLU A 119 13.696 2.780 -0.469 1.00 22.21 H new ATOM 0 HB2 GLU A 119 11.465 3.037 -2.552 1.00 22.24 H new ATOM 0 HB3 GLU A 119 12.573 4.321 -2.109 1.00 22.24 H new ATOM 0 HG2 GLU A 119 13.314 1.698 -3.474 1.00 44.42 H new ATOM 0 HG3 GLU A 119 13.245 3.277 -4.231 1.00 44.42 H new ATOM 2036 N PHE A 120 10.433 2.762 0.120 1.00 51.21 N ATOM 2037 CA PHE A 120 9.341 3.213 1.005 1.00 62.34 C ATOM 2038 C PHE A 120 9.619 2.910 2.488 1.00 50.43 C ATOM 2039 O PHE A 120 9.418 3.771 3.345 1.00 1.32 O ATOM 2040 CB PHE A 120 8.005 2.552 0.565 1.00 44.01 C ATOM 2041 CG PHE A 120 7.367 3.126 -0.706 1.00 51.41 C ATOM 2042 CD1 PHE A 120 7.718 4.393 -1.196 1.00 64.11 C ATOM 2043 CD2 PHE A 120 6.366 2.421 -1.378 1.00 43.32 C ATOM 2044 CE1 PHE A 120 7.095 4.922 -2.307 1.00 14.10 C ATOM 2045 CE2 PHE A 120 5.743 2.962 -2.483 1.00 64.33 C ATOM 2046 CZ PHE A 120 6.107 4.209 -2.946 1.00 71.42 C ATOM 0 H PHE A 120 10.134 2.069 -0.566 1.00 51.21 H new ATOM 0 HA PHE A 120 9.270 4.297 0.910 1.00 62.34 H new ATOM 0 HB2 PHE A 120 8.181 1.487 0.412 1.00 44.01 H new ATOM 0 HB3 PHE A 120 7.289 2.643 1.382 1.00 44.01 H new ATOM 0 HD1 PHE A 120 8.487 4.962 -0.696 1.00 64.11 H new ATOM 0 HD2 PHE A 120 6.077 1.441 -1.028 1.00 43.32 H new ATOM 0 HE1 PHE A 120 7.383 5.896 -2.675 1.00 14.10 H new ATOM 0 HE2 PHE A 120 4.967 2.407 -2.988 1.00 64.33 H new ATOM 0 HZ PHE A 120 5.615 4.627 -3.812 1.00 71.42 H new ATOM 2056 N MET A 121 10.062 1.675 2.762 1.00 44.44 N ATOM 2057 CA MET A 121 10.399 1.214 4.123 1.00 71.45 C ATOM 2058 C MET A 121 11.646 1.927 4.671 1.00 5.53 C ATOM 2059 O MET A 121 11.762 2.122 5.887 1.00 5.51 O ATOM 2060 CB MET A 121 10.608 -0.320 4.132 1.00 71.41 C ATOM 2061 CG MET A 121 9.344 -1.135 3.833 1.00 13.23 C ATOM 2062 SD MET A 121 9.639 -2.911 3.932 1.00 62.12 S ATOM 2063 CE MET A 121 10.809 -3.168 2.592 1.00 51.15 C ATOM 0 H MET A 121 10.198 0.962 2.045 1.00 44.44 H new ATOM 0 HA MET A 121 9.562 1.464 4.775 1.00 71.45 H new ATOM 0 HB2 MET A 121 11.372 -0.574 3.397 1.00 71.41 H new ATOM 0 HB3 MET A 121 10.994 -0.616 5.108 1.00 71.41 H new ATOM 0 HG2 MET A 121 8.560 -0.859 4.539 1.00 13.23 H new ATOM 0 HG3 MET A 121 8.979 -0.884 2.837 1.00 13.23 H new ATOM 0 HE1 MET A 121 10.860 -4.230 2.353 1.00 51.15 H new ATOM 0 HE2 MET A 121 10.482 -2.613 1.712 1.00 51.15 H new ATOM 0 HE3 MET A 121 11.795 -2.817 2.897 1.00 51.15 H new ATOM 2073 N GLN A 122 12.576 2.295 3.763 1.00 14.12 N ATOM 2074 CA GLN A 122 13.792 3.051 4.118 1.00 72.53 C ATOM 2075 C GLN A 122 13.439 4.484 4.552 1.00 52.13 C ATOM 2076 O GLN A 122 13.900 4.954 5.599 1.00 55.43 O ATOM 2077 CB GLN A 122 14.798 3.065 2.930 1.00 73.53 C ATOM 2078 CG GLN A 122 16.132 3.787 3.240 1.00 24.01 C ATOM 2079 CD GLN A 122 17.121 3.804 2.068 1.00 31.40 C ATOM 2080 OE1 GLN A 122 17.145 2.896 1.238 1.00 20.20 O ATOM 2081 NE2 GLN A 122 17.958 4.827 1.998 1.00 51.11 N ATOM 0 H GLN A 122 12.504 2.077 2.769 1.00 14.12 H new ATOM 0 HA GLN A 122 14.268 2.551 4.961 1.00 72.53 H new ATOM 0 HB2 GLN A 122 15.013 2.037 2.638 1.00 73.53 H new ATOM 0 HB3 GLN A 122 14.326 3.548 2.074 1.00 73.53 H new ATOM 0 HG2 GLN A 122 15.917 4.814 3.535 1.00 24.01 H new ATOM 0 HG3 GLN A 122 16.605 3.302 4.094 1.00 24.01 H new ATOM 0 HE21 GLN A 122 17.918 5.567 2.698 1.00 51.11 H new ATOM 0 HE22 GLN A 122 18.643 4.875 1.244 1.00 51.11 H new ATOM 2090 N LYS A 123 12.586 5.147 3.749 1.00 52.50 N ATOM 2091 CA LYS A 123 12.118 6.521 4.020 1.00 35.24 C ATOM 2092 C LYS A 123 11.270 6.549 5.302 1.00 25.14 C ATOM 2093 O LYS A 123 11.431 7.438 6.142 1.00 12.42 O ATOM 2094 CB LYS A 123 11.296 7.066 2.821 1.00 43.11 C ATOM 2095 CG LYS A 123 12.106 7.267 1.517 1.00 50.52 C ATOM 2096 CD LYS A 123 11.248 7.840 0.363 1.00 62.25 C ATOM 2097 CE LYS A 123 12.083 8.112 -0.901 1.00 43.44 C ATOM 2098 NZ LYS A 123 12.660 6.866 -1.488 1.00 33.22 N ATOM 0 H LYS A 123 12.201 4.746 2.894 1.00 52.50 H new ATOM 0 HA LYS A 123 12.989 7.161 4.159 1.00 35.24 H new ATOM 0 HB2 LYS A 123 10.474 6.379 2.620 1.00 43.11 H new ATOM 0 HB3 LYS A 123 10.851 8.019 3.107 1.00 43.11 H new ATOM 0 HG2 LYS A 123 12.941 7.940 1.713 1.00 50.52 H new ATOM 0 HG3 LYS A 123 12.532 6.313 1.208 1.00 50.52 H new ATOM 0 HD2 LYS A 123 10.448 7.139 0.124 1.00 62.25 H new ATOM 0 HD3 LYS A 123 10.774 8.766 0.690 1.00 62.25 H new ATOM 0 HE2 LYS A 123 11.458 8.604 -1.646 1.00 43.44 H new ATOM 0 HE3 LYS A 123 12.891 8.802 -0.657 1.00 43.44 H new ATOM 0 HZ1 LYS A 123 13.698 6.937 -1.501 1.00 33.22 H new ATOM 0 HZ2 LYS A 123 12.376 6.047 -0.913 1.00 33.22 H new ATOM 0 HZ3 LYS A 123 12.309 6.745 -2.460 1.00 33.22 H new ATOM 2112 N ALA A 124 10.397 5.534 5.443 1.00 3.34 N ATOM 2113 CA ALA A 124 9.568 5.324 6.641 1.00 33.22 C ATOM 2114 C ALA A 124 10.442 5.151 7.887 1.00 2.23 C ATOM 2115 O ALA A 124 10.169 5.734 8.939 1.00 24.40 O ATOM 2116 CB ALA A 124 8.680 4.088 6.446 1.00 3.45 C ATOM 0 H ALA A 124 10.247 4.830 4.720 1.00 3.34 H new ATOM 0 HA ALA A 124 8.939 6.203 6.785 1.00 33.22 H new ATOM 0 HB1 ALA A 124 8.068 3.936 7.335 1.00 3.45 H new ATOM 0 HB2 ALA A 124 8.033 4.237 5.581 1.00 3.45 H new ATOM 0 HB3 ALA A 124 9.307 3.211 6.283 1.00 3.45 H new ATOM 2122 N GLY A 125 11.532 4.383 7.710 1.00 45.44 N ATOM 2123 CA GLY A 125 12.485 4.099 8.778 1.00 41.43 C ATOM 2124 C GLY A 125 13.316 5.309 9.166 1.00 54.41 C ATOM 2125 O GLY A 125 13.780 5.403 10.302 1.00 14.42 O ATOM 0 H GLY A 125 11.770 3.946 6.820 1.00 45.44 H new ATOM 0 HA2 GLY A 125 11.945 3.740 9.654 1.00 41.43 H new ATOM 0 HA3 GLY A 125 13.149 3.295 8.461 1.00 41.43 H new