USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=27 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 2 LYS NZ :NH3+ 155:sc= -0.162 (180deg=-0.256) USER MOD Set 1.2: A 76 TYR OH : rot -175:sc= 0.894 USER MOD Set 2.1: A 9 THR OG1 : rot 52:sc= 0.321 USER MOD Set 2.2: A 83 GLN : amide:sc= 0.502 K(o=0.82,f=-1) USER MOD Set 3.1: A 8 ASN : amide:sc= 1.08 K(o=2,f=-2.6) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -158:sc= 0.968 (180deg=-0.396) USER MOD Single : A 10 ASN : amide:sc= -0.949 K(o=-0.95,f=-4!) USER MOD Single : A 11 ASN : amide:sc= 0.505 K(o=0.51,f=-5.9!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 137:sc=-0.00087 (180deg=-0.0123) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 0.618 (180deg=0.407) USER MOD Single : A 20 LYS NZ :NH3+ 144:sc= 0.727 (180deg=0.176) USER MOD Single : A 24 ASN : amide:sc= 0.621 K(o=0.62,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.15) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.455 X(o=-0.46,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.225 K(o=-0.23,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -168:sc= 0.0869 (180deg=0.0481) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 159:sc= -1.22 (180deg=-1.65) USER MOD Single : A 43 LYS NZ :NH3+ 134:sc= 1.11 (180deg=-0.145) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.202 (180deg=-1.12) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -93:sc= 0.345 USER MOD Single : A 59 ASN : amide:sc= 0.423 X(o=0.42,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.188 X(o=-0.19,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0154) USER MOD Single : A 67 MET CE :methyl -177:sc= -2.14 (180deg=-2.26!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= -0.0441 (180deg=-0.291) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 88 ASN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -138:sc= 0.639 (180deg=-0.318) USER MOD Single : A 96 LYS NZ :NH3+ -127:sc= 0.785 (180deg=-0.0273) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 102 TYR OH : rot -125:sc= 0.402 USER MOD Single : A 106 LYS NZ :NH3+ 141:sc= -0.23 (180deg=-2.29!) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -173:sc= 0.79 (180deg=0.768) USER MOD Single : A 121 MET CE :methyl -168:sc= -1.37 (180deg=-2.02) USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 LYS NZ :NH3+ -169:sc= 0.094 (180deg=0.0597) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 2.174 7.313 13.393 1.00 12.44 N ATOM 21 CA LYS A 2 2.174 5.965 12.785 1.00 43.13 C ATOM 22 C LYS A 2 2.320 6.066 11.259 1.00 2.23 C ATOM 23 O LYS A 2 1.834 7.020 10.636 1.00 64.00 O ATOM 24 CB LYS A 2 0.885 5.187 13.169 1.00 53.33 C ATOM 25 CG LYS A 2 0.843 3.708 12.705 1.00 51.44 C ATOM 26 CD LYS A 2 -0.487 2.998 13.059 1.00 14.33 C ATOM 27 CE LYS A 2 -0.775 2.981 14.567 1.00 11.45 C ATOM 28 NZ LYS A 2 -2.133 2.483 14.874 1.00 13.51 N ATOM 0 HA LYS A 2 3.028 5.411 13.174 1.00 43.13 H new ATOM 0 HB2 LYS A 2 0.773 5.214 14.253 1.00 53.33 H new ATOM 0 HB3 LYS A 2 0.026 5.708 12.746 1.00 53.33 H new ATOM 0 HG2 LYS A 2 0.994 3.667 11.626 1.00 51.44 H new ATOM 0 HG3 LYS A 2 1.670 3.166 13.163 1.00 51.44 H new ATOM 0 HD2 LYS A 2 -1.307 3.497 12.544 1.00 14.33 H new ATOM 0 HD3 LYS A 2 -0.455 1.973 12.689 1.00 14.33 H new ATOM 0 HE2 LYS A 2 -0.038 2.353 15.068 1.00 11.45 H new ATOM 0 HE3 LYS A 2 -0.661 3.988 14.968 1.00 11.45 H new ATOM 0 HZ1 LYS A 2 -2.150 2.092 15.837 1.00 13.51 H new ATOM 0 HZ2 LYS A 2 -2.814 3.267 14.807 1.00 13.51 H new ATOM 0 HZ3 LYS A 2 -2.392 1.740 14.194 1.00 13.51 H new ATOM 42 N ILE A 3 3.010 5.074 10.674 1.00 0.41 N ATOM 43 CA ILE A 3 3.250 4.983 9.228 1.00 54.10 C ATOM 44 C ILE A 3 2.680 3.656 8.720 1.00 72.23 C ATOM 45 O ILE A 3 2.967 2.594 9.289 1.00 22.21 O ATOM 46 CB ILE A 3 4.783 5.051 8.898 1.00 50.11 C ATOM 47 CG1 ILE A 3 5.417 6.334 9.514 1.00 22.15 C ATOM 48 CG2 ILE A 3 5.021 4.993 7.367 1.00 33.41 C ATOM 49 CD1 ILE A 3 6.925 6.385 9.425 1.00 24.22 C ATOM 0 H ILE A 3 3.422 4.303 11.200 1.00 0.41 H new ATOM 0 HA ILE A 3 2.762 5.826 8.738 1.00 54.10 H new ATOM 0 HB ILE A 3 5.269 4.183 9.344 1.00 50.11 H new ATOM 0 HG12 ILE A 3 5.005 7.208 9.009 1.00 22.15 H new ATOM 0 HG13 ILE A 3 5.124 6.403 10.561 1.00 22.15 H new ATOM 0 HG21 ILE A 3 6.091 5.042 7.163 1.00 33.41 H new ATOM 0 HG22 ILE A 3 4.618 4.061 6.971 1.00 33.41 H new ATOM 0 HG23 ILE A 3 4.522 5.836 6.889 1.00 33.41 H new ATOM 0 HD11 ILE A 3 7.285 7.310 9.876 1.00 24.22 H new ATOM 0 HD12 ILE A 3 7.350 5.533 9.955 1.00 24.22 H new ATOM 0 HD13 ILE A 3 7.229 6.349 8.379 1.00 24.22 H new ATOM 61 N LEU A 4 1.863 3.729 7.664 1.00 33.44 N ATOM 62 CA LEU A 4 1.317 2.547 6.982 1.00 33.01 C ATOM 63 C LEU A 4 1.844 2.538 5.545 1.00 45.33 C ATOM 64 O LEU A 4 1.910 3.586 4.905 1.00 32.45 O ATOM 65 CB LEU A 4 -0.238 2.585 6.997 1.00 23.14 C ATOM 66 CG LEU A 4 -0.910 2.745 8.402 1.00 4.04 C ATOM 67 CD1 LEU A 4 -2.436 2.825 8.277 1.00 1.33 C ATOM 68 CD2 LEU A 4 -0.499 1.618 9.372 1.00 21.25 C ATOM 0 H LEU A 4 1.559 4.613 7.255 1.00 33.44 H new ATOM 0 HA LEU A 4 1.631 1.638 7.496 1.00 33.01 H new ATOM 0 HB2 LEU A 4 -0.567 3.409 6.364 1.00 23.14 H new ATOM 0 HB3 LEU A 4 -0.608 1.666 6.542 1.00 23.14 H new ATOM 0 HG LEU A 4 -0.550 3.684 8.823 1.00 4.04 H new ATOM 0 HD11 LEU A 4 -2.877 2.936 9.268 1.00 1.33 H new ATOM 0 HD12 LEU A 4 -2.706 3.683 7.662 1.00 1.33 H new ATOM 0 HD13 LEU A 4 -2.811 1.913 7.813 1.00 1.33 H new ATOM 0 HD21 LEU A 4 -0.989 1.769 10.334 1.00 21.25 H new ATOM 0 HD22 LEU A 4 -0.800 0.655 8.959 1.00 21.25 H new ATOM 0 HD23 LEU A 4 0.582 1.632 9.509 1.00 21.25 H new ATOM 80 N ILE A 5 2.262 1.372 5.049 1.00 2.40 N ATOM 81 CA ILE A 5 2.662 1.215 3.640 1.00 45.13 C ATOM 82 C ILE A 5 1.530 0.467 2.917 1.00 62.43 C ATOM 83 O ILE A 5 1.291 -0.713 3.196 1.00 44.04 O ATOM 84 CB ILE A 5 4.022 0.430 3.489 1.00 1.10 C ATOM 85 CG1 ILE A 5 5.138 0.998 4.429 1.00 13.43 C ATOM 86 CG2 ILE A 5 4.508 0.419 2.013 1.00 31.45 C ATOM 87 CD1 ILE A 5 5.605 2.405 4.111 1.00 74.40 C ATOM 0 H ILE A 5 2.334 0.517 5.600 1.00 2.40 H new ATOM 0 HA ILE A 5 2.826 2.200 3.202 1.00 45.13 H new ATOM 0 HB ILE A 5 3.825 -0.598 3.795 1.00 1.10 H new ATOM 0 HG12 ILE A 5 4.769 0.979 5.455 1.00 13.43 H new ATOM 0 HG13 ILE A 5 5.998 0.330 4.387 1.00 13.43 H new ATOM 0 HG21 ILE A 5 5.447 -0.130 1.943 1.00 31.45 H new ATOM 0 HG22 ILE A 5 3.758 -0.064 1.387 1.00 31.45 H new ATOM 0 HG23 ILE A 5 4.660 1.443 1.672 1.00 31.45 H new ATOM 0 HD11 ILE A 5 6.377 2.701 4.821 1.00 74.40 H new ATOM 0 HD12 ILE A 5 6.011 2.434 3.100 1.00 74.40 H new ATOM 0 HD13 ILE A 5 4.763 3.093 4.184 1.00 74.40 H new ATOM 99 N LEU A 6 0.817 1.163 2.020 1.00 20.50 N ATOM 100 CA LEU A 6 -0.303 0.580 1.258 1.00 44.50 C ATOM 101 C LEU A 6 0.260 0.092 -0.076 1.00 74.21 C ATOM 102 O LEU A 6 0.925 0.855 -0.770 1.00 13.40 O ATOM 103 CB LEU A 6 -1.429 1.641 1.033 1.00 23.32 C ATOM 104 CG LEU A 6 -2.908 1.125 0.934 1.00 52.22 C ATOM 105 CD1 LEU A 6 -3.122 0.042 -0.148 1.00 40.05 C ATOM 106 CD2 LEU A 6 -3.395 0.650 2.308 1.00 44.15 C ATOM 0 H LEU A 6 0.997 2.143 1.801 1.00 20.50 H new ATOM 0 HA LEU A 6 -0.751 -0.248 1.807 1.00 44.50 H new ATOM 0 HB2 LEU A 6 -1.379 2.361 1.849 1.00 23.32 H new ATOM 0 HB3 LEU A 6 -1.201 2.183 0.115 1.00 23.32 H new ATOM 0 HG LEU A 6 -3.513 1.973 0.612 1.00 52.22 H new ATOM 0 HD11 LEU A 6 -4.168 -0.264 -0.155 1.00 40.05 H new ATOM 0 HD12 LEU A 6 -2.855 0.446 -1.125 1.00 40.05 H new ATOM 0 HD13 LEU A 6 -2.493 -0.821 0.072 1.00 40.05 H new ATOM 0 HD21 LEU A 6 -4.422 0.294 2.227 1.00 44.15 H new ATOM 0 HD22 LEU A 6 -2.757 -0.161 2.660 1.00 44.15 H new ATOM 0 HD23 LEU A 6 -3.353 1.478 3.015 1.00 44.15 H new ATOM 118 N ILE A 7 0.013 -1.170 -0.429 1.00 61.54 N ATOM 119 CA ILE A 7 0.503 -1.755 -1.683 1.00 72.23 C ATOM 120 C ILE A 7 -0.654 -2.468 -2.400 1.00 14.31 C ATOM 121 O ILE A 7 -1.255 -3.391 -1.861 1.00 12.31 O ATOM 122 CB ILE A 7 1.709 -2.738 -1.404 1.00 52.03 C ATOM 123 CG1 ILE A 7 2.879 -1.960 -0.708 1.00 25.00 C ATOM 124 CG2 ILE A 7 2.199 -3.418 -2.707 1.00 51.32 C ATOM 125 CD1 ILE A 7 4.050 -2.800 -0.252 1.00 42.23 C ATOM 0 H ILE A 7 -0.531 -1.816 0.143 1.00 61.54 H new ATOM 0 HA ILE A 7 0.876 -0.963 -2.333 1.00 72.23 H new ATOM 0 HB ILE A 7 1.361 -3.527 -0.737 1.00 52.03 H new ATOM 0 HG12 ILE A 7 3.248 -1.202 -1.399 1.00 25.00 H new ATOM 0 HG13 ILE A 7 2.476 -1.433 0.157 1.00 25.00 H new ATOM 0 HG21 ILE A 7 3.029 -4.087 -2.478 1.00 51.32 H new ATOM 0 HG22 ILE A 7 1.383 -3.990 -3.148 1.00 51.32 H new ATOM 0 HG23 ILE A 7 2.531 -2.656 -3.412 1.00 51.32 H new ATOM 0 HD11 ILE A 7 4.798 -2.159 0.214 1.00 42.23 H new ATOM 0 HD12 ILE A 7 3.707 -3.541 0.470 1.00 42.23 H new ATOM 0 HD13 ILE A 7 4.491 -3.306 -1.111 1.00 42.23 H new ATOM 137 N ASN A 8 -0.975 -2.004 -3.612 1.00 3.20 N ATOM 138 CA ASN A 8 -1.940 -2.650 -4.507 1.00 51.21 C ATOM 139 C ASN A 8 -1.172 -3.211 -5.687 1.00 3.23 C ATOM 140 O ASN A 8 -0.509 -2.467 -6.399 1.00 32.34 O ATOM 141 CB ASN A 8 -3.001 -1.643 -5.013 1.00 61.54 C ATOM 142 CG ASN A 8 -3.987 -2.221 -6.056 1.00 2.14 C ATOM 143 OD1 ASN A 8 -3.705 -2.240 -7.251 1.00 12.20 O ATOM 144 ND2 ASN A 8 -5.167 -2.644 -5.617 1.00 43.11 N ATOM 0 H ASN A 8 -0.565 -1.156 -4.005 1.00 3.20 H new ATOM 0 HA ASN A 8 -2.464 -3.438 -3.966 1.00 51.21 H new ATOM 0 HB2 ASN A 8 -3.570 -1.274 -4.159 1.00 61.54 H new ATOM 0 HB3 ASN A 8 -2.490 -0.785 -5.451 1.00 61.54 H new ATOM 0 HD21 ASN A 8 -5.861 -2.994 -6.277 1.00 43.11 H new ATOM 0 HD22 ASN A 8 -5.379 -2.619 -4.620 1.00 43.11 H new ATOM 151 N THR A 9 -1.229 -4.516 -5.854 1.00 13.43 N ATOM 152 CA THR A 9 -0.759 -5.193 -7.059 1.00 22.10 C ATOM 153 C THR A 9 -1.893 -6.053 -7.606 1.00 44.03 C ATOM 154 O THR A 9 -2.697 -6.583 -6.827 1.00 23.22 O ATOM 155 CB THR A 9 0.516 -6.047 -6.790 1.00 43.22 C ATOM 156 OG1 THR A 9 0.814 -6.865 -7.937 1.00 30.32 O ATOM 157 CG2 THR A 9 0.387 -6.921 -5.532 1.00 74.34 C ATOM 0 H THR A 9 -1.607 -5.151 -5.151 1.00 13.43 H new ATOM 0 HA THR A 9 -0.473 -4.444 -7.798 1.00 22.10 H new ATOM 0 HB THR A 9 1.337 -5.352 -6.612 1.00 43.22 H new ATOM 0 HG1 THR A 9 0.841 -6.305 -8.740 1.00 30.32 H new ATOM 0 HG21 THR A 9 1.303 -7.495 -5.392 1.00 74.34 H new ATOM 0 HG22 THR A 9 0.221 -6.285 -4.663 1.00 74.34 H new ATOM 0 HG23 THR A 9 -0.455 -7.604 -5.648 1.00 74.34 H new ATOM 165 N ASN A 10 -1.970 -6.172 -8.941 1.00 72.25 N ATOM 166 CA ASN A 10 -3.011 -6.978 -9.604 1.00 51.34 C ATOM 167 C ASN A 10 -2.731 -8.485 -9.409 1.00 31.15 C ATOM 168 O ASN A 10 -3.652 -9.302 -9.381 1.00 71.03 O ATOM 169 CB ASN A 10 -3.069 -6.672 -11.133 1.00 33.12 C ATOM 170 CG ASN A 10 -3.029 -5.187 -11.526 1.00 3.54 C ATOM 171 OD1 ASN A 10 -2.596 -4.867 -12.628 1.00 64.35 O ATOM 172 ND2 ASN A 10 -3.458 -4.276 -10.657 1.00 42.12 N ATOM 0 H ASN A 10 -1.322 -5.719 -9.585 1.00 72.25 H new ATOM 0 HA ASN A 10 -3.967 -6.717 -9.150 1.00 51.34 H new ATOM 0 HB2 ASN A 10 -2.233 -7.178 -11.616 1.00 33.12 H new ATOM 0 HB3 ASN A 10 -3.982 -7.109 -11.536 1.00 33.12 H new ATOM 0 HD21 ASN A 10 -3.431 -3.286 -10.901 1.00 42.12 H new ATOM 0 HD22 ASN A 10 -3.814 -4.567 -9.747 1.00 42.12 H new ATOM 179 N ASN A 11 -1.433 -8.821 -9.257 1.00 0.31 N ATOM 180 CA ASN A 11 -0.925 -10.206 -9.347 1.00 54.13 C ATOM 181 C ASN A 11 -0.647 -10.780 -7.942 1.00 53.13 C ATOM 182 O ASN A 11 -0.044 -10.103 -7.100 1.00 25.14 O ATOM 183 CB ASN A 11 0.372 -10.222 -10.210 1.00 41.33 C ATOM 184 CG ASN A 11 0.782 -11.612 -10.728 1.00 23.25 C ATOM 185 OD1 ASN A 11 0.413 -12.645 -10.173 1.00 51.31 O ATOM 186 ND2 ASN A 11 1.571 -11.639 -11.795 1.00 53.52 N ATOM 0 H ASN A 11 -0.703 -8.134 -9.067 1.00 0.31 H new ATOM 0 HA ASN A 11 -1.681 -10.833 -9.819 1.00 54.13 H new ATOM 0 HB2 ASN A 11 0.233 -9.558 -11.063 1.00 41.33 H new ATOM 0 HB3 ASN A 11 1.191 -9.814 -9.618 1.00 41.33 H new ATOM 0 HD21 ASN A 11 1.886 -12.532 -12.174 1.00 53.52 H new ATOM 0 HD22 ASN A 11 1.862 -10.767 -12.236 1.00 53.52 H new ATOM 193 N ASP A 12 -1.073 -12.046 -7.725 1.00 74.30 N ATOM 194 CA ASP A 12 -0.846 -12.797 -6.465 1.00 52.50 C ATOM 195 C ASP A 12 0.648 -13.069 -6.221 1.00 61.32 C ATOM 196 O ASP A 12 1.079 -13.164 -5.061 1.00 12.11 O ATOM 197 CB ASP A 12 -1.628 -14.141 -6.472 1.00 20.22 C ATOM 198 CG ASP A 12 -3.141 -13.961 -6.278 1.00 13.42 C ATOM 199 OD1 ASP A 12 -3.832 -13.576 -7.241 1.00 3.22 O ATOM 200 OD2 ASP A 12 -3.640 -14.205 -5.159 1.00 35.15 O ATOM 0 H ASP A 12 -1.588 -12.581 -8.424 1.00 74.30 H new ATOM 0 HA ASP A 12 -1.215 -12.171 -5.653 1.00 52.50 H new ATOM 0 HB2 ASP A 12 -1.448 -14.654 -7.417 1.00 20.22 H new ATOM 0 HB3 ASP A 12 -1.241 -14.784 -5.681 1.00 20.22 H new ATOM 205 N GLU A 13 1.421 -13.207 -7.325 1.00 61.41 N ATOM 206 CA GLU A 13 2.884 -13.401 -7.272 1.00 33.04 C ATOM 207 C GLU A 13 3.539 -12.244 -6.505 1.00 12.10 C ATOM 208 O GLU A 13 4.276 -12.463 -5.535 1.00 44.41 O ATOM 209 CB GLU A 13 3.485 -13.492 -8.701 1.00 52.35 C ATOM 210 CG GLU A 13 3.055 -14.733 -9.505 1.00 33.32 C ATOM 211 CD GLU A 13 3.624 -14.741 -10.932 1.00 52.50 C ATOM 212 OE1 GLU A 13 4.832 -15.018 -11.098 1.00 64.14 O ATOM 213 OE2 GLU A 13 2.880 -14.440 -11.892 1.00 70.34 O ATOM 0 H GLU A 13 1.046 -13.187 -8.273 1.00 61.41 H new ATOM 0 HA GLU A 13 3.085 -14.339 -6.754 1.00 33.04 H new ATOM 0 HB2 GLU A 13 3.200 -12.599 -9.257 1.00 52.35 H new ATOM 0 HB3 GLU A 13 4.572 -13.485 -8.624 1.00 52.35 H new ATOM 0 HG2 GLU A 13 3.383 -15.631 -8.982 1.00 33.32 H new ATOM 0 HG3 GLU A 13 1.967 -14.771 -9.552 1.00 33.32 H new ATOM 220 N LEU A 14 3.194 -11.012 -6.913 1.00 14.12 N ATOM 221 CA LEU A 14 3.736 -9.791 -6.307 1.00 41.40 C ATOM 222 C LEU A 14 3.300 -9.656 -4.842 1.00 0.43 C ATOM 223 O LEU A 14 4.086 -9.184 -4.037 1.00 4.10 O ATOM 224 CB LEU A 14 3.349 -8.522 -7.119 1.00 4.01 C ATOM 225 CG LEU A 14 4.218 -8.192 -8.371 1.00 55.45 C ATOM 226 CD1 LEU A 14 5.706 -8.109 -7.984 1.00 73.01 C ATOM 227 CD2 LEU A 14 3.975 -9.188 -9.528 1.00 63.44 C ATOM 0 H LEU A 14 2.533 -10.838 -7.670 1.00 14.12 H new ATOM 0 HA LEU A 14 4.822 -9.877 -6.331 1.00 41.40 H new ATOM 0 HB2 LEU A 14 2.314 -8.630 -7.444 1.00 4.01 H new ATOM 0 HB3 LEU A 14 3.385 -7.665 -6.446 1.00 4.01 H new ATOM 0 HG LEU A 14 3.911 -7.215 -8.744 1.00 55.45 H new ATOM 0 HD11 LEU A 14 6.300 -7.878 -8.868 1.00 73.01 H new ATOM 0 HD12 LEU A 14 5.845 -7.326 -7.239 1.00 73.01 H new ATOM 0 HD13 LEU A 14 6.028 -9.065 -7.570 1.00 73.01 H new ATOM 0 HD21 LEU A 14 4.602 -8.918 -10.378 1.00 63.44 H new ATOM 0 HD22 LEU A 14 4.225 -10.196 -9.198 1.00 63.44 H new ATOM 0 HD23 LEU A 14 2.927 -9.153 -9.824 1.00 63.44 H new ATOM 239 N ILE A 15 2.057 -10.085 -4.506 1.00 51.32 N ATOM 240 CA ILE A 15 1.562 -10.050 -3.112 1.00 32.11 C ATOM 241 C ILE A 15 2.528 -10.835 -2.200 1.00 53.53 C ATOM 242 O ILE A 15 3.213 -10.233 -1.377 1.00 2.44 O ATOM 243 CB ILE A 15 0.084 -10.606 -2.973 1.00 5.12 C ATOM 244 CG1 ILE A 15 -0.908 -9.753 -3.831 1.00 65.22 C ATOM 245 CG2 ILE A 15 -0.372 -10.654 -1.485 1.00 12.54 C ATOM 246 CD1 ILE A 15 -2.363 -10.213 -3.812 1.00 20.43 C ATOM 0 H ILE A 15 1.386 -10.456 -5.178 1.00 51.32 H new ATOM 0 HA ILE A 15 1.529 -9.006 -2.801 1.00 32.11 H new ATOM 0 HB ILE A 15 0.078 -11.628 -3.351 1.00 5.12 H new ATOM 0 HG12 ILE A 15 -0.868 -8.721 -3.481 1.00 65.22 H new ATOM 0 HG13 ILE A 15 -0.559 -9.753 -4.864 1.00 65.22 H new ATOM 0 HG21 ILE A 15 -1.390 -11.040 -1.429 1.00 12.54 H new ATOM 0 HG22 ILE A 15 0.295 -11.306 -0.921 1.00 12.54 H new ATOM 0 HG23 ILE A 15 -0.341 -9.650 -1.062 1.00 12.54 H new ATOM 0 HD11 ILE A 15 -2.962 -9.552 -4.439 1.00 20.43 H new ATOM 0 HD12 ILE A 15 -2.427 -11.232 -4.194 1.00 20.43 H new ATOM 0 HD13 ILE A 15 -2.740 -10.184 -2.790 1.00 20.43 H new ATOM 258 N LYS A 16 2.651 -12.151 -2.448 1.00 11.54 N ATOM 259 CA LYS A 16 3.401 -13.081 -1.571 1.00 22.21 C ATOM 260 C LYS A 16 4.922 -12.773 -1.525 1.00 13.45 C ATOM 261 O LYS A 16 5.570 -13.024 -0.497 1.00 61.35 O ATOM 262 CB LYS A 16 3.138 -14.544 -2.011 1.00 53.04 C ATOM 263 CG LYS A 16 3.587 -14.885 -3.453 1.00 43.11 C ATOM 264 CD LYS A 16 3.049 -16.246 -3.955 1.00 11.33 C ATOM 265 CE LYS A 16 1.504 -16.301 -3.974 1.00 24.23 C ATOM 266 NZ LYS A 16 0.987 -17.558 -4.574 1.00 51.24 N ATOM 0 H LYS A 16 2.235 -12.604 -3.261 1.00 11.54 H new ATOM 0 HA LYS A 16 3.036 -12.939 -0.554 1.00 22.21 H new ATOM 0 HB2 LYS A 16 3.650 -15.213 -1.319 1.00 53.04 H new ATOM 0 HB3 LYS A 16 2.071 -14.748 -1.921 1.00 53.04 H new ATOM 0 HG2 LYS A 16 3.250 -14.098 -4.127 1.00 43.11 H new ATOM 0 HG3 LYS A 16 4.676 -14.895 -3.494 1.00 43.11 H new ATOM 0 HD2 LYS A 16 3.428 -16.435 -4.959 1.00 11.33 H new ATOM 0 HD3 LYS A 16 3.430 -17.042 -3.315 1.00 11.33 H new ATOM 0 HE2 LYS A 16 1.128 -16.207 -2.955 1.00 24.23 H new ATOM 0 HE3 LYS A 16 1.120 -15.449 -4.536 1.00 24.23 H new ATOM 0 HZ1 LYS A 16 -0.053 -17.546 -4.563 1.00 51.24 H new ATOM 0 HZ2 LYS A 16 1.322 -17.638 -5.555 1.00 51.24 H new ATOM 0 HZ3 LYS A 16 1.329 -18.372 -4.024 1.00 51.24 H new ATOM 280 N LYS A 17 5.482 -12.249 -2.634 1.00 53.44 N ATOM 281 CA LYS A 17 6.908 -11.850 -2.705 1.00 11.24 C ATOM 282 C LYS A 17 7.174 -10.607 -1.839 1.00 54.52 C ATOM 283 O LYS A 17 8.104 -10.600 -1.026 1.00 74.04 O ATOM 284 CB LYS A 17 7.318 -11.595 -4.179 1.00 50.41 C ATOM 285 CG LYS A 17 7.362 -12.872 -5.041 1.00 71.33 C ATOM 286 CD LYS A 17 7.556 -12.589 -6.546 1.00 73.43 C ATOM 287 CE LYS A 17 8.854 -11.833 -6.877 1.00 25.54 C ATOM 288 NZ LYS A 17 9.081 -11.721 -8.342 1.00 4.31 N ATOM 0 H LYS A 17 4.967 -12.090 -3.500 1.00 53.44 H new ATOM 0 HA LYS A 17 7.516 -12.665 -2.312 1.00 11.24 H new ATOM 0 HB2 LYS A 17 6.616 -10.890 -4.625 1.00 50.41 H new ATOM 0 HB3 LYS A 17 8.300 -11.122 -4.197 1.00 50.41 H new ATOM 0 HG2 LYS A 17 8.174 -13.510 -4.691 1.00 71.33 H new ATOM 0 HG3 LYS A 17 6.436 -13.429 -4.900 1.00 71.33 H new ATOM 0 HD2 LYS A 17 7.550 -13.535 -7.087 1.00 73.43 H new ATOM 0 HD3 LYS A 17 6.707 -12.009 -6.909 1.00 73.43 H new ATOM 0 HE2 LYS A 17 8.813 -10.835 -6.440 1.00 25.54 H new ATOM 0 HE3 LYS A 17 9.699 -12.347 -6.418 1.00 25.54 H new ATOM 0 HZ1 LYS A 17 9.405 -10.759 -8.571 1.00 4.31 H new ATOM 0 HZ2 LYS A 17 9.804 -12.409 -8.635 1.00 4.31 H new ATOM 0 HZ3 LYS A 17 8.193 -11.916 -8.847 1.00 4.31 H new ATOM 302 N ILE A 18 6.331 -9.580 -2.013 1.00 70.44 N ATOM 303 CA ILE A 18 6.412 -8.322 -1.240 1.00 22.33 C ATOM 304 C ILE A 18 6.202 -8.591 0.269 1.00 33.05 C ATOM 305 O ILE A 18 6.845 -7.952 1.111 1.00 61.30 O ATOM 306 CB ILE A 18 5.384 -7.258 -1.796 1.00 3.04 C ATOM 307 CG1 ILE A 18 5.834 -6.762 -3.219 1.00 42.14 C ATOM 308 CG2 ILE A 18 5.179 -6.072 -0.825 1.00 24.42 C ATOM 309 CD1 ILE A 18 4.841 -5.852 -3.939 1.00 2.34 C ATOM 0 H ILE A 18 5.571 -9.593 -2.693 1.00 70.44 H new ATOM 0 HA ILE A 18 7.412 -7.904 -1.360 1.00 22.33 H new ATOM 0 HB ILE A 18 4.416 -7.751 -1.886 1.00 3.04 H new ATOM 0 HG12 ILE A 18 6.780 -6.231 -3.118 1.00 42.14 H new ATOM 0 HG13 ILE A 18 6.023 -7.633 -3.846 1.00 42.14 H new ATOM 0 HG21 ILE A 18 4.464 -5.370 -1.254 1.00 24.42 H new ATOM 0 HG22 ILE A 18 4.798 -6.443 0.126 1.00 24.42 H new ATOM 0 HG23 ILE A 18 6.131 -5.566 -0.662 1.00 24.42 H new ATOM 0 HD11 ILE A 18 5.247 -5.567 -4.910 1.00 2.34 H new ATOM 0 HD12 ILE A 18 3.899 -6.382 -4.081 1.00 2.34 H new ATOM 0 HD13 ILE A 18 4.668 -4.957 -3.341 1.00 2.34 H new ATOM 321 N LYS A 19 5.343 -9.586 0.590 1.00 45.32 N ATOM 322 CA LYS A 19 5.083 -10.012 1.979 1.00 44.03 C ATOM 323 C LYS A 19 6.383 -10.462 2.665 1.00 51.54 C ATOM 324 O LYS A 19 6.587 -10.151 3.832 1.00 22.11 O ATOM 325 CB LYS A 19 4.011 -11.141 2.049 1.00 65.33 C ATOM 326 CG LYS A 19 2.600 -10.698 1.602 1.00 21.05 C ATOM 327 CD LYS A 19 1.503 -11.767 1.797 1.00 61.24 C ATOM 328 CE LYS A 19 1.250 -12.100 3.274 1.00 34.11 C ATOM 329 NZ LYS A 19 0.035 -12.932 3.460 1.00 1.24 N ATOM 0 H LYS A 19 4.814 -10.112 -0.106 1.00 45.32 H new ATOM 0 HA LYS A 19 4.687 -9.148 2.513 1.00 44.03 H new ATOM 0 HB2 LYS A 19 4.334 -11.974 1.424 1.00 65.33 H new ATOM 0 HB3 LYS A 19 3.957 -11.513 3.072 1.00 65.33 H new ATOM 0 HG2 LYS A 19 2.321 -9.803 2.158 1.00 21.05 H new ATOM 0 HG3 LYS A 19 2.636 -10.421 0.549 1.00 21.05 H new ATOM 0 HD2 LYS A 19 0.576 -11.415 1.345 1.00 61.24 H new ATOM 0 HD3 LYS A 19 1.790 -12.676 1.269 1.00 61.24 H new ATOM 0 HE2 LYS A 19 2.114 -12.626 3.679 1.00 34.11 H new ATOM 0 HE3 LYS A 19 1.145 -11.175 3.841 1.00 34.11 H new ATOM 0 HZ1 LYS A 19 0.071 -13.396 4.390 1.00 1.24 H new ATOM 0 HZ2 LYS A 19 -0.810 -12.329 3.407 1.00 1.24 H new ATOM 0 HZ3 LYS A 19 -0.008 -13.655 2.713 1.00 1.24 H new ATOM 343 N LYS A 20 7.271 -11.158 1.917 1.00 70.10 N ATOM 344 CA LYS A 20 8.583 -11.616 2.441 1.00 53.22 C ATOM 345 C LYS A 20 9.575 -10.438 2.544 1.00 60.41 C ATOM 346 O LYS A 20 10.309 -10.327 3.536 1.00 11.05 O ATOM 347 CB LYS A 20 9.170 -12.758 1.570 1.00 22.03 C ATOM 348 CG LYS A 20 8.345 -14.069 1.603 1.00 30.24 C ATOM 349 CD LYS A 20 8.201 -14.648 3.040 1.00 23.22 C ATOM 350 CE LYS A 20 7.392 -15.957 3.091 1.00 25.33 C ATOM 351 NZ LYS A 20 7.163 -16.417 4.488 1.00 63.03 N ATOM 0 H LYS A 20 7.103 -11.416 0.945 1.00 70.10 H new ATOM 0 HA LYS A 20 8.420 -12.013 3.443 1.00 53.22 H new ATOM 0 HB2 LYS A 20 9.242 -12.413 0.539 1.00 22.03 H new ATOM 0 HB3 LYS A 20 10.185 -12.972 1.906 1.00 22.03 H new ATOM 0 HG2 LYS A 20 7.354 -13.881 1.190 1.00 30.24 H new ATOM 0 HG3 LYS A 20 8.822 -14.811 0.962 1.00 30.24 H new ATOM 0 HD2 LYS A 20 9.194 -14.826 3.454 1.00 23.22 H new ATOM 0 HD3 LYS A 20 7.719 -13.906 3.677 1.00 23.22 H new ATOM 0 HE2 LYS A 20 6.432 -15.809 2.596 1.00 25.33 H new ATOM 0 HE3 LYS A 20 7.921 -16.732 2.536 1.00 25.33 H new ATOM 0 HZ1 LYS A 20 6.220 -16.849 4.561 1.00 63.03 H new ATOM 0 HZ2 LYS A 20 7.886 -17.119 4.745 1.00 63.03 H new ATOM 0 HZ3 LYS A 20 7.223 -15.605 5.135 1.00 63.03 H new ATOM 365 N GLU A 21 9.581 -9.579 1.501 1.00 75.11 N ATOM 366 CA GLU A 21 10.388 -8.327 1.458 1.00 43.14 C ATOM 367 C GLU A 21 10.203 -7.462 2.723 1.00 61.21 C ATOM 368 O GLU A 21 11.152 -6.839 3.200 1.00 21.54 O ATOM 369 CB GLU A 21 10.028 -7.475 0.200 1.00 31.21 C ATOM 370 CG GLU A 21 10.416 -8.108 -1.153 1.00 1.14 C ATOM 371 CD GLU A 21 11.931 -8.325 -1.324 1.00 73.25 C ATOM 372 OE1 GLU A 21 12.703 -7.376 -1.090 1.00 5.44 O ATOM 373 OE2 GLU A 21 12.358 -9.440 -1.695 1.00 12.55 O ATOM 0 H GLU A 21 9.026 -9.730 0.659 1.00 75.11 H new ATOM 0 HA GLU A 21 11.431 -8.638 1.408 1.00 43.14 H new ATOM 0 HB2 GLU A 21 8.954 -7.289 0.202 1.00 31.21 H new ATOM 0 HB3 GLU A 21 10.519 -6.506 0.284 1.00 31.21 H new ATOM 0 HG2 GLU A 21 9.907 -9.066 -1.255 1.00 1.14 H new ATOM 0 HG3 GLU A 21 10.056 -7.469 -1.959 1.00 1.14 H new ATOM 380 N VAL A 22 8.974 -7.424 3.248 1.00 21.31 N ATOM 381 CA VAL A 22 8.611 -6.562 4.395 1.00 40.22 C ATOM 382 C VAL A 22 8.525 -7.352 5.719 1.00 24.13 C ATOM 383 O VAL A 22 8.575 -6.758 6.807 1.00 14.43 O ATOM 384 CB VAL A 22 7.270 -5.819 4.083 1.00 22.41 C ATOM 385 CG1 VAL A 22 7.372 -5.117 2.714 1.00 73.01 C ATOM 386 CG2 VAL A 22 6.048 -6.766 4.120 1.00 60.31 C ATOM 0 H VAL A 22 8.199 -7.986 2.896 1.00 21.31 H new ATOM 0 HA VAL A 22 9.404 -5.827 4.534 1.00 40.22 H new ATOM 0 HB VAL A 22 7.113 -5.076 4.865 1.00 22.41 H new ATOM 0 HG11 VAL A 22 6.436 -4.600 2.499 1.00 73.01 H new ATOM 0 HG12 VAL A 22 8.189 -4.395 2.735 1.00 73.01 H new ATOM 0 HG13 VAL A 22 7.563 -5.858 1.938 1.00 73.01 H new ATOM 0 HG21 VAL A 22 5.143 -6.201 3.897 1.00 60.31 H new ATOM 0 HG22 VAL A 22 6.176 -7.554 3.378 1.00 60.31 H new ATOM 0 HG23 VAL A 22 5.963 -7.211 5.111 1.00 60.31 H new ATOM 396 N GLU A 23 8.410 -8.690 5.603 1.00 23.13 N ATOM 397 CA GLU A 23 8.420 -9.623 6.747 1.00 34.45 C ATOM 398 C GLU A 23 9.737 -9.494 7.515 1.00 42.24 C ATOM 399 O GLU A 23 9.753 -9.285 8.730 1.00 44.24 O ATOM 400 CB GLU A 23 8.267 -11.067 6.215 1.00 4.34 C ATOM 401 CG GLU A 23 8.328 -12.183 7.267 1.00 44.14 C ATOM 402 CD GLU A 23 8.352 -13.579 6.632 1.00 33.40 C ATOM 403 OE1 GLU A 23 9.452 -14.061 6.288 1.00 20.23 O ATOM 404 OE2 GLU A 23 7.272 -14.183 6.435 1.00 5.45 O ATOM 0 H GLU A 23 8.306 -9.158 4.703 1.00 23.13 H new ATOM 0 HA GLU A 23 7.596 -9.386 7.420 1.00 34.45 H new ATOM 0 HB2 GLU A 23 7.314 -11.141 5.691 1.00 4.34 H new ATOM 0 HB3 GLU A 23 9.050 -11.246 5.478 1.00 4.34 H new ATOM 0 HG2 GLU A 23 9.218 -12.051 7.883 1.00 44.14 H new ATOM 0 HG3 GLU A 23 7.466 -12.102 7.930 1.00 44.14 H new ATOM 411 N ASN A 24 10.839 -9.560 6.753 1.00 72.02 N ATOM 412 CA ASN A 24 12.210 -9.499 7.288 1.00 21.34 C ATOM 413 C ASN A 24 12.653 -8.043 7.570 1.00 35.44 C ATOM 414 O ASN A 24 13.812 -7.799 7.916 1.00 74.43 O ATOM 415 CB ASN A 24 13.179 -10.189 6.298 1.00 74.32 C ATOM 416 CG ASN A 24 12.895 -11.687 6.132 1.00 11.41 C ATOM 417 OD1 ASN A 24 13.429 -12.504 6.871 1.00 1.10 O ATOM 418 ND2 ASN A 24 12.059 -12.057 5.170 1.00 34.30 N ATOM 0 H ASN A 24 10.805 -9.658 5.738 1.00 72.02 H new ATOM 0 HA ASN A 24 12.231 -10.026 8.242 1.00 21.34 H new ATOM 0 HB2 ASN A 24 13.106 -9.701 5.326 1.00 74.32 H new ATOM 0 HB3 ASN A 24 14.203 -10.055 6.646 1.00 74.32 H new ATOM 0 HD21 ASN A 24 11.846 -13.045 5.031 1.00 34.30 H new ATOM 0 HD22 ASN A 24 11.629 -11.353 4.570 1.00 34.30 H new ATOM 425 N GLN A 25 11.716 -7.085 7.425 1.00 45.41 N ATOM 426 CA GLN A 25 11.937 -5.653 7.726 1.00 71.53 C ATOM 427 C GLN A 25 11.083 -5.184 8.921 1.00 52.54 C ATOM 428 O GLN A 25 10.963 -3.983 9.160 1.00 23.11 O ATOM 429 CB GLN A 25 11.638 -4.797 6.463 1.00 5.25 C ATOM 430 CG GLN A 25 12.670 -4.950 5.340 1.00 2.32 C ATOM 431 CD GLN A 25 14.062 -4.490 5.761 1.00 4.34 C ATOM 432 OE1 GLN A 25 14.398 -3.325 5.634 1.00 43.15 O ATOM 433 NE2 GLN A 25 14.877 -5.398 6.273 1.00 63.51 N ATOM 0 H GLN A 25 10.773 -7.284 7.092 1.00 45.41 H new ATOM 0 HA GLN A 25 12.982 -5.521 8.007 1.00 71.53 H new ATOM 0 HB2 GLN A 25 10.656 -5.070 6.078 1.00 5.25 H new ATOM 0 HB3 GLN A 25 11.587 -3.748 6.753 1.00 5.25 H new ATOM 0 HG2 GLN A 25 12.714 -5.994 5.031 1.00 2.32 H new ATOM 0 HG3 GLN A 25 12.347 -4.374 4.473 1.00 2.32 H new ATOM 0 HE21 GLN A 25 14.568 -6.366 6.367 1.00 63.51 H new ATOM 0 HE22 GLN A 25 15.814 -5.130 6.574 1.00 63.51 H new ATOM 442 N GLY A 26 10.503 -6.138 9.669 1.00 12.44 N ATOM 443 CA GLY A 26 9.741 -5.832 10.886 1.00 24.42 C ATOM 444 C GLY A 26 8.443 -5.061 10.648 1.00 2.05 C ATOM 445 O GLY A 26 7.957 -4.360 11.551 1.00 53.21 O ATOM 0 H GLY A 26 10.550 -7.133 9.448 1.00 12.44 H new ATOM 0 HA2 GLY A 26 9.505 -6.766 11.395 1.00 24.42 H new ATOM 0 HA3 GLY A 26 10.374 -5.253 11.559 1.00 24.42 H new ATOM 449 N TYR A 27 7.885 -5.178 9.435 1.00 22.01 N ATOM 450 CA TYR A 27 6.560 -4.634 9.102 1.00 52.03 C ATOM 451 C TYR A 27 5.533 -5.770 9.196 1.00 33.12 C ATOM 452 O TYR A 27 5.626 -6.758 8.457 1.00 74.51 O ATOM 453 CB TYR A 27 6.552 -3.972 7.687 1.00 53.22 C ATOM 454 CG TYR A 27 7.330 -2.644 7.627 1.00 34.23 C ATOM 455 CD1 TYR A 27 6.716 -1.434 7.968 1.00 24.23 C ATOM 456 CD2 TYR A 27 8.673 -2.603 7.256 1.00 42.24 C ATOM 457 CE1 TYR A 27 7.412 -0.241 7.941 1.00 3.20 C ATOM 458 CE2 TYR A 27 9.373 -1.410 7.225 1.00 25.15 C ATOM 459 CZ TYR A 27 8.740 -0.230 7.570 1.00 54.11 C ATOM 460 OH TYR A 27 9.437 0.959 7.544 1.00 61.22 O ATOM 0 H TYR A 27 8.340 -5.653 8.656 1.00 22.01 H new ATOM 0 HA TYR A 27 6.300 -3.847 9.810 1.00 52.03 H new ATOM 0 HB2 TYR A 27 6.981 -4.668 6.966 1.00 53.22 H new ATOM 0 HB3 TYR A 27 5.520 -3.794 7.383 1.00 53.22 H new ATOM 0 HD1 TYR A 27 5.676 -1.433 8.259 1.00 24.23 H new ATOM 0 HD2 TYR A 27 9.177 -3.520 6.988 1.00 42.24 H new ATOM 0 HE1 TYR A 27 6.917 0.681 8.210 1.00 3.20 H new ATOM 0 HE2 TYR A 27 10.412 -1.400 6.932 1.00 25.15 H new ATOM 0 HH TYR A 27 10.360 0.791 7.262 1.00 61.22 H new ATOM 470 N GLN A 28 4.594 -5.630 10.151 1.00 22.22 N ATOM 471 CA GLN A 28 3.527 -6.612 10.395 1.00 13.24 C ATOM 472 C GLN A 28 2.614 -6.692 9.164 1.00 24.32 C ATOM 473 O GLN A 28 1.808 -5.780 8.910 1.00 23.34 O ATOM 474 CB GLN A 28 2.725 -6.223 11.663 1.00 2.31 C ATOM 475 CG GLN A 28 3.575 -6.149 12.947 1.00 25.43 C ATOM 476 CD GLN A 28 2.785 -5.805 14.218 1.00 60.14 C ATOM 477 OE1 GLN A 28 3.313 -5.166 15.121 1.00 14.32 O ATOM 478 NE2 GLN A 28 1.537 -6.251 14.320 1.00 2.32 N ATOM 0 H GLN A 28 4.557 -4.826 10.778 1.00 22.22 H new ATOM 0 HA GLN A 28 3.966 -7.595 10.565 1.00 13.24 H new ATOM 0 HB2 GLN A 28 2.251 -5.255 11.498 1.00 2.31 H new ATOM 0 HB3 GLN A 28 1.925 -6.949 11.811 1.00 2.31 H new ATOM 0 HG2 GLN A 28 4.073 -7.107 13.093 1.00 25.43 H new ATOM 0 HG3 GLN A 28 4.356 -5.402 12.807 1.00 25.43 H new ATOM 0 HE21 GLN A 28 1.120 -6.781 13.554 1.00 2.32 H new ATOM 0 HE22 GLN A 28 0.996 -6.064 15.164 1.00 2.32 H new ATOM 487 N VAL A 29 2.792 -7.773 8.387 1.00 64.50 N ATOM 488 CA VAL A 29 2.166 -7.919 7.072 1.00 52.13 C ATOM 489 C VAL A 29 0.686 -8.292 7.223 1.00 62.55 C ATOM 490 O VAL A 29 0.352 -9.332 7.796 1.00 1.31 O ATOM 491 CB VAL A 29 2.874 -8.998 6.169 1.00 51.12 C ATOM 492 CG1 VAL A 29 2.483 -8.790 4.686 1.00 44.41 C ATOM 493 CG2 VAL A 29 4.409 -8.995 6.350 1.00 52.33 C ATOM 0 H VAL A 29 3.374 -8.566 8.656 1.00 64.50 H new ATOM 0 HA VAL A 29 2.268 -6.953 6.578 1.00 52.13 H new ATOM 0 HB VAL A 29 2.526 -9.980 6.489 1.00 51.12 H new ATOM 0 HG11 VAL A 29 2.978 -9.541 4.070 1.00 44.41 H new ATOM 0 HG12 VAL A 29 1.403 -8.886 4.578 1.00 44.41 H new ATOM 0 HG13 VAL A 29 2.793 -7.796 4.364 1.00 44.41 H new ATOM 0 HG21 VAL A 29 4.853 -9.755 5.707 1.00 52.33 H new ATOM 0 HG22 VAL A 29 4.805 -8.016 6.081 1.00 52.33 H new ATOM 0 HG23 VAL A 29 4.653 -9.212 7.390 1.00 52.33 H new ATOM 503 N ARG A 30 -0.178 -7.428 6.707 1.00 32.33 N ATOM 504 CA ARG A 30 -1.628 -7.619 6.668 1.00 42.51 C ATOM 505 C ARG A 30 -2.099 -7.391 5.234 1.00 2.52 C ATOM 506 O ARG A 30 -1.537 -6.560 4.519 1.00 43.53 O ATOM 507 CB ARG A 30 -2.331 -6.644 7.661 1.00 64.34 C ATOM 508 CG ARG A 30 -2.156 -7.010 9.169 1.00 45.24 C ATOM 509 CD ARG A 30 -3.259 -7.953 9.713 1.00 74.34 C ATOM 510 NE ARG A 30 -3.501 -9.137 8.865 1.00 51.02 N ATOM 511 CZ ARG A 30 -4.669 -9.817 8.798 1.00 51.54 C ATOM 512 NH1 ARG A 30 -5.716 -9.450 9.523 1.00 52.45 N ATOM 513 NH2 ARG A 30 -4.783 -10.847 7.982 1.00 54.24 N ATOM 0 H ARG A 30 0.117 -6.545 6.290 1.00 32.33 H new ATOM 0 HA ARG A 30 -1.887 -8.632 6.977 1.00 42.51 H new ATOM 0 HB2 ARG A 30 -1.943 -5.639 7.498 1.00 64.34 H new ATOM 0 HB3 ARG A 30 -3.396 -6.616 7.429 1.00 64.34 H new ATOM 0 HG2 ARG A 30 -1.184 -7.484 9.308 1.00 45.24 H new ATOM 0 HG3 ARG A 30 -2.151 -6.093 9.758 1.00 45.24 H new ATOM 0 HD2 ARG A 30 -2.980 -8.285 10.713 1.00 74.34 H new ATOM 0 HD3 ARG A 30 -4.188 -7.392 9.811 1.00 74.34 H new ATOM 0 HE ARG A 30 -2.729 -9.468 8.286 1.00 51.02 H new ATOM 0 HH11 ARG A 30 -5.649 -8.643 10.144 1.00 52.45 H new ATOM 0 HH12 ARG A 30 -6.589 -9.974 9.460 1.00 52.45 H new ATOM 0 HH21 ARG A 30 -3.992 -11.129 7.403 1.00 54.24 H new ATOM 0 HH22 ARG A 30 -5.662 -11.361 7.930 1.00 54.24 H new ATOM 527 N ASP A 31 -3.103 -8.155 4.808 1.00 31.23 N ATOM 528 CA ASP A 31 -3.728 -7.983 3.495 1.00 4.21 C ATOM 529 C ASP A 31 -5.231 -8.216 3.629 1.00 65.14 C ATOM 530 O ASP A 31 -5.680 -9.129 4.335 1.00 24.35 O ATOM 531 CB ASP A 31 -3.079 -8.877 2.389 1.00 54.43 C ATOM 532 CG ASP A 31 -3.130 -10.387 2.664 1.00 64.14 C ATOM 533 OD1 ASP A 31 -2.188 -10.924 3.290 1.00 64.32 O ATOM 534 OD2 ASP A 31 -4.100 -11.049 2.239 1.00 51.04 O ATOM 0 H ASP A 31 -3.507 -8.910 5.362 1.00 31.23 H new ATOM 0 HA ASP A 31 -3.555 -6.961 3.159 1.00 4.21 H new ATOM 0 HB2 ASP A 31 -3.580 -8.678 1.442 1.00 54.43 H new ATOM 0 HB3 ASP A 31 -2.037 -8.580 2.267 1.00 54.43 H new ATOM 539 N VAL A 32 -5.991 -7.359 2.952 1.00 11.41 N ATOM 540 CA VAL A 32 -7.449 -7.306 3.048 1.00 5.31 C ATOM 541 C VAL A 32 -8.049 -8.065 1.860 1.00 31.41 C ATOM 542 O VAL A 32 -7.836 -7.682 0.712 1.00 62.02 O ATOM 543 CB VAL A 32 -7.920 -5.800 3.069 1.00 44.12 C ATOM 544 CG1 VAL A 32 -9.452 -5.662 2.931 1.00 4.15 C ATOM 545 CG2 VAL A 32 -7.422 -5.100 4.360 1.00 53.25 C ATOM 0 H VAL A 32 -5.604 -6.668 2.309 1.00 11.41 H new ATOM 0 HA VAL A 32 -7.791 -7.777 3.970 1.00 5.31 H new ATOM 0 HB VAL A 32 -7.478 -5.309 2.202 1.00 44.12 H new ATOM 0 HG11 VAL A 32 -9.726 -4.607 2.951 1.00 4.15 H new ATOM 0 HG12 VAL A 32 -9.773 -6.102 1.987 1.00 4.15 H new ATOM 0 HG13 VAL A 32 -9.940 -6.179 3.757 1.00 4.15 H new ATOM 0 HG21 VAL A 32 -7.754 -4.062 4.362 1.00 53.25 H new ATOM 0 HG22 VAL A 32 -7.829 -5.613 5.232 1.00 53.25 H new ATOM 0 HG23 VAL A 32 -6.333 -5.133 4.395 1.00 53.25 H new ATOM 555 N ASN A 33 -8.762 -9.166 2.145 1.00 74.24 N ATOM 556 CA ASN A 33 -9.414 -9.998 1.112 1.00 63.54 C ATOM 557 C ASN A 33 -10.747 -9.387 0.652 1.00 32.52 C ATOM 558 O ASN A 33 -11.077 -9.416 -0.533 1.00 1.42 O ATOM 559 CB ASN A 33 -9.680 -11.424 1.677 1.00 40.32 C ATOM 560 CG ASN A 33 -8.432 -12.174 2.148 1.00 4.21 C ATOM 561 OD1 ASN A 33 -7.442 -11.584 2.593 1.00 71.14 O ATOM 562 ND2 ASN A 33 -8.480 -13.491 2.064 1.00 63.12 N ATOM 0 H ASN A 33 -8.905 -9.507 3.096 1.00 74.24 H new ATOM 0 HA ASN A 33 -8.743 -10.048 0.255 1.00 63.54 H new ATOM 0 HB2 ASN A 33 -10.375 -11.344 2.513 1.00 40.32 H new ATOM 0 HB3 ASN A 33 -10.174 -12.017 0.908 1.00 40.32 H new ATOM 0 HD21 ASN A 33 -7.685 -14.051 2.371 1.00 63.12 H new ATOM 0 HD22 ASN A 33 -9.312 -13.948 1.692 1.00 63.12 H new ATOM 569 N ASP A 34 -11.488 -8.820 1.616 1.00 70.22 N ATOM 570 CA ASP A 34 -12.924 -8.489 1.466 1.00 53.43 C ATOM 571 C ASP A 34 -13.274 -7.198 2.233 1.00 43.33 C ATOM 572 O ASP A 34 -12.486 -6.727 3.057 1.00 3.24 O ATOM 573 CB ASP A 34 -13.741 -9.721 1.973 1.00 21.43 C ATOM 574 CG ASP A 34 -15.259 -9.507 2.023 1.00 33.23 C ATOM 575 OD1 ASP A 34 -15.886 -9.390 0.950 1.00 33.12 O ATOM 576 OD2 ASP A 34 -15.818 -9.401 3.134 1.00 14.01 O ATOM 0 H ASP A 34 -11.110 -8.574 2.531 1.00 70.22 H new ATOM 0 HA ASP A 34 -13.172 -8.292 0.423 1.00 53.43 H new ATOM 0 HB2 ASP A 34 -13.529 -10.572 1.325 1.00 21.43 H new ATOM 0 HB3 ASP A 34 -13.392 -9.985 2.971 1.00 21.43 H new ATOM 581 N SER A 35 -14.458 -6.622 1.926 1.00 33.22 N ATOM 582 CA SER A 35 -14.993 -5.411 2.577 1.00 43.21 C ATOM 583 C SER A 35 -15.038 -5.532 4.113 1.00 74.22 C ATOM 584 O SER A 35 -14.738 -4.564 4.824 1.00 1.30 O ATOM 585 CB SER A 35 -16.404 -5.108 2.022 1.00 62.30 C ATOM 586 OG SER A 35 -16.935 -3.925 2.590 1.00 34.45 O ATOM 0 H SER A 35 -15.077 -6.994 1.206 1.00 33.22 H new ATOM 0 HA SER A 35 -14.316 -4.588 2.347 1.00 43.21 H new ATOM 0 HB2 SER A 35 -16.357 -5.004 0.938 1.00 62.30 H new ATOM 0 HB3 SER A 35 -17.068 -5.946 2.233 1.00 62.30 H new ATOM 0 HG SER A 35 -17.827 -3.756 2.220 1.00 34.45 H new ATOM 592 N ASP A 36 -15.419 -6.719 4.620 1.00 44.42 N ATOM 593 CA ASP A 36 -15.444 -6.986 6.071 1.00 13.41 C ATOM 594 C ASP A 36 -14.027 -6.985 6.649 1.00 33.23 C ATOM 595 O ASP A 36 -13.810 -6.389 7.698 1.00 34.14 O ATOM 596 CB ASP A 36 -16.209 -8.294 6.403 1.00 33.13 C ATOM 597 CG ASP A 36 -17.720 -8.141 6.146 1.00 74.35 C ATOM 598 OD1 ASP A 36 -18.399 -7.470 6.957 1.00 33.11 O ATOM 599 OD2 ASP A 36 -18.231 -8.656 5.131 1.00 24.32 O ATOM 0 H ASP A 36 -15.714 -7.509 4.046 1.00 44.42 H new ATOM 0 HA ASP A 36 -15.994 -6.176 6.550 1.00 13.41 H new ATOM 0 HB2 ASP A 36 -15.816 -9.111 5.798 1.00 33.13 H new ATOM 0 HB3 ASP A 36 -16.041 -8.561 7.446 1.00 33.13 H new ATOM 604 N GLU A 37 -13.059 -7.568 5.902 1.00 71.14 N ATOM 605 CA GLU A 37 -11.631 -7.614 6.309 1.00 5.33 C ATOM 606 C GLU A 37 -11.087 -6.179 6.501 1.00 25.52 C ATOM 607 O GLU A 37 -10.333 -5.908 7.448 1.00 70.15 O ATOM 608 CB GLU A 37 -10.768 -8.369 5.254 1.00 71.55 C ATOM 609 CG GLU A 37 -11.227 -9.808 4.926 1.00 12.05 C ATOM 610 CD GLU A 37 -11.201 -10.761 6.132 1.00 42.43 C ATOM 611 OE1 GLU A 37 -10.100 -11.114 6.591 1.00 44.25 O ATOM 612 OE2 GLU A 37 -12.278 -11.161 6.620 1.00 31.02 O ATOM 0 H GLU A 37 -13.243 -8.018 5.005 1.00 71.14 H new ATOM 0 HA GLU A 37 -11.567 -8.155 7.253 1.00 5.33 H new ATOM 0 HB2 GLU A 37 -10.763 -7.789 4.331 1.00 71.55 H new ATOM 0 HB3 GLU A 37 -9.739 -8.407 5.612 1.00 71.55 H new ATOM 0 HG2 GLU A 37 -12.240 -9.773 4.525 1.00 12.05 H new ATOM 0 HG3 GLU A 37 -10.587 -10.213 4.142 1.00 12.05 H new ATOM 619 N LEU A 38 -11.512 -5.275 5.592 1.00 54.22 N ATOM 620 CA LEU A 38 -11.220 -3.830 5.659 1.00 52.34 C ATOM 621 C LEU A 38 -11.699 -3.254 6.998 1.00 25.14 C ATOM 622 O LEU A 38 -10.893 -2.794 7.806 1.00 23.33 O ATOM 623 CB LEU A 38 -11.950 -3.090 4.497 1.00 21.25 C ATOM 624 CG LEU A 38 -11.971 -1.513 4.563 1.00 72.45 C ATOM 625 CD1 LEU A 38 -10.789 -0.886 3.818 1.00 12.23 C ATOM 626 CD2 LEU A 38 -13.312 -0.934 4.068 1.00 1.44 C ATOM 0 H LEU A 38 -12.075 -5.534 4.781 1.00 54.22 H new ATOM 0 HA LEU A 38 -10.143 -3.688 5.569 1.00 52.34 H new ATOM 0 HB2 LEU A 38 -11.481 -3.385 3.558 1.00 21.25 H new ATOM 0 HB3 LEU A 38 -12.981 -3.443 4.463 1.00 21.25 H new ATOM 0 HG LEU A 38 -11.866 -1.248 5.615 1.00 72.45 H new ATOM 0 HD11 LEU A 38 -10.847 0.200 3.892 1.00 12.23 H new ATOM 0 HD12 LEU A 38 -9.855 -1.230 4.262 1.00 12.23 H new ATOM 0 HD13 LEU A 38 -10.822 -1.181 2.769 1.00 12.23 H new ATOM 0 HD21 LEU A 38 -13.284 0.154 4.130 1.00 1.44 H new ATOM 0 HD22 LEU A 38 -13.478 -1.234 3.033 1.00 1.44 H new ATOM 0 HD23 LEU A 38 -14.123 -1.312 4.690 1.00 1.44 H new ATOM 638 N LYS A 39 -13.024 -3.356 7.225 1.00 55.42 N ATOM 639 CA LYS A 39 -13.707 -2.715 8.363 1.00 13.20 C ATOM 640 C LYS A 39 -13.190 -3.252 9.715 1.00 35.10 C ATOM 641 O LYS A 39 -13.212 -2.532 10.715 1.00 65.15 O ATOM 642 CB LYS A 39 -15.239 -2.914 8.227 1.00 71.01 C ATOM 643 CG LYS A 39 -15.852 -2.297 6.945 1.00 43.24 C ATOM 644 CD LYS A 39 -17.365 -2.609 6.778 1.00 25.53 C ATOM 645 CE LYS A 39 -17.654 -4.116 6.610 1.00 22.40 C ATOM 646 NZ LYS A 39 -19.100 -4.419 6.431 1.00 4.25 N ATOM 0 H LYS A 39 -13.651 -3.887 6.621 1.00 55.42 H new ATOM 0 HA LYS A 39 -13.485 -1.648 8.344 1.00 13.20 H new ATOM 0 HB2 LYS A 39 -15.457 -3.982 8.242 1.00 71.01 H new ATOM 0 HB3 LYS A 39 -15.729 -2.476 9.097 1.00 71.01 H new ATOM 0 HG2 LYS A 39 -15.711 -1.216 6.966 1.00 43.24 H new ATOM 0 HG3 LYS A 39 -15.312 -2.672 6.075 1.00 43.24 H new ATOM 0 HD2 LYS A 39 -17.906 -2.236 7.648 1.00 25.53 H new ATOM 0 HD3 LYS A 39 -17.748 -2.072 5.910 1.00 25.53 H new ATOM 0 HE2 LYS A 39 -17.101 -4.492 5.749 1.00 22.40 H new ATOM 0 HE3 LYS A 39 -17.283 -4.650 7.485 1.00 22.40 H new ATOM 0 HZ1 LYS A 39 -19.255 -5.443 6.527 1.00 4.25 H new ATOM 0 HZ2 LYS A 39 -19.652 -3.916 7.155 1.00 4.25 H new ATOM 0 HZ3 LYS A 39 -19.405 -4.110 5.486 1.00 4.25 H new ATOM 660 N LYS A 40 -12.718 -4.513 9.720 1.00 54.45 N ATOM 661 CA LYS A 40 -12.130 -5.152 10.913 1.00 23.04 C ATOM 662 C LYS A 40 -10.761 -4.520 11.243 1.00 35.22 C ATOM 663 O LYS A 40 -10.540 -4.057 12.369 1.00 50.12 O ATOM 664 CB LYS A 40 -11.973 -6.687 10.702 1.00 45.34 C ATOM 665 CG LYS A 40 -13.293 -7.467 10.496 1.00 23.34 C ATOM 666 CD LYS A 40 -14.205 -7.531 11.746 1.00 53.02 C ATOM 667 CE LYS A 40 -15.564 -8.198 11.434 1.00 72.24 C ATOM 668 NZ LYS A 40 -16.426 -8.331 12.639 1.00 21.05 N ATOM 0 H LYS A 40 -12.733 -5.117 8.898 1.00 54.45 H new ATOM 0 HA LYS A 40 -12.807 -4.988 11.752 1.00 23.04 H new ATOM 0 HB2 LYS A 40 -11.333 -6.854 9.835 1.00 45.34 H new ATOM 0 HB3 LYS A 40 -11.455 -7.104 11.566 1.00 45.34 H new ATOM 0 HG2 LYS A 40 -13.849 -7.005 9.680 1.00 23.34 H new ATOM 0 HG3 LYS A 40 -13.054 -8.484 10.184 1.00 23.34 H new ATOM 0 HD2 LYS A 40 -13.700 -8.088 12.536 1.00 53.02 H new ATOM 0 HD3 LYS A 40 -14.374 -6.523 12.124 1.00 53.02 H new ATOM 0 HE2 LYS A 40 -16.088 -7.611 10.680 1.00 72.24 H new ATOM 0 HE3 LYS A 40 -15.390 -9.185 11.005 1.00 72.24 H new ATOM 0 HZ1 LYS A 40 -17.324 -8.784 12.375 1.00 21.05 H new ATOM 0 HZ2 LYS A 40 -15.940 -8.914 13.351 1.00 21.05 H new ATOM 0 HZ3 LYS A 40 -16.617 -7.389 13.035 1.00 21.05 H new ATOM 682 N GLU A 41 -9.856 -4.480 10.243 1.00 65.44 N ATOM 683 CA GLU A 41 -8.450 -4.071 10.459 1.00 33.43 C ATOM 684 C GLU A 41 -8.292 -2.556 10.683 1.00 52.04 C ATOM 685 O GLU A 41 -7.392 -2.135 11.421 1.00 53.34 O ATOM 686 CB GLU A 41 -7.546 -4.554 9.294 1.00 22.32 C ATOM 687 CG GLU A 41 -7.481 -6.091 9.150 1.00 51.15 C ATOM 688 CD GLU A 41 -7.163 -6.810 10.482 1.00 13.32 C ATOM 689 OE1 GLU A 41 -6.030 -6.679 10.987 1.00 53.43 O ATOM 690 OE2 GLU A 41 -8.039 -7.515 11.030 1.00 40.24 O ATOM 0 H GLU A 41 -10.073 -4.726 9.277 1.00 65.44 H new ATOM 0 HA GLU A 41 -8.126 -4.557 11.379 1.00 33.43 H new ATOM 0 HB2 GLU A 41 -7.913 -4.126 8.361 1.00 22.32 H new ATOM 0 HB3 GLU A 41 -6.537 -4.170 9.446 1.00 22.32 H new ATOM 0 HG2 GLU A 41 -8.434 -6.455 8.766 1.00 51.15 H new ATOM 0 HG3 GLU A 41 -6.720 -6.350 8.413 1.00 51.15 H new ATOM 697 N MET A 42 -9.169 -1.749 10.065 1.00 1.35 N ATOM 698 CA MET A 42 -9.135 -0.277 10.207 1.00 64.12 C ATOM 699 C MET A 42 -9.481 0.159 11.644 1.00 54.52 C ATOM 700 O MET A 42 -8.991 1.193 12.122 1.00 65.20 O ATOM 701 CB MET A 42 -10.079 0.395 9.176 1.00 63.34 C ATOM 702 CG MET A 42 -9.670 0.136 7.714 1.00 70.42 C ATOM 703 SD MET A 42 -7.932 0.505 7.403 1.00 44.13 S ATOM 704 CE MET A 42 -7.836 2.249 7.799 1.00 24.20 C ATOM 0 H MET A 42 -9.915 -2.089 9.459 1.00 1.35 H new ATOM 0 HA MET A 42 -8.117 0.055 10.003 1.00 64.12 H new ATOM 0 HB2 MET A 42 -11.094 0.030 9.332 1.00 63.34 H new ATOM 0 HB3 MET A 42 -10.096 1.470 9.356 1.00 63.34 H new ATOM 0 HG2 MET A 42 -9.866 -0.907 7.465 1.00 70.42 H new ATOM 0 HG3 MET A 42 -10.290 0.743 7.054 1.00 70.42 H new ATOM 0 HE1 MET A 42 -6.801 2.517 8.013 1.00 24.20 H new ATOM 0 HE2 MET A 42 -8.195 2.835 6.952 1.00 24.20 H new ATOM 0 HE3 MET A 42 -8.454 2.458 8.672 1.00 24.20 H new ATOM 714 N LYS A 43 -10.320 -0.652 12.321 1.00 2.03 N ATOM 715 CA LYS A 43 -10.623 -0.486 13.755 1.00 13.02 C ATOM 716 C LYS A 43 -9.356 -0.692 14.608 1.00 33.15 C ATOM 717 O LYS A 43 -9.098 0.079 15.534 1.00 21.35 O ATOM 718 CB LYS A 43 -11.735 -1.475 14.202 1.00 34.33 C ATOM 719 CG LYS A 43 -13.135 -1.150 13.640 1.00 23.23 C ATOM 720 CD LYS A 43 -14.194 -2.212 14.024 1.00 31.32 C ATOM 721 CE LYS A 43 -15.598 -1.874 13.488 1.00 25.42 C ATOM 722 NZ LYS A 43 -15.606 -1.709 12.008 1.00 21.41 N ATOM 0 H LYS A 43 -10.805 -1.438 11.889 1.00 2.03 H new ATOM 0 HA LYS A 43 -10.983 0.532 13.906 1.00 13.02 H new ATOM 0 HB2 LYS A 43 -11.456 -2.482 13.892 1.00 34.33 H new ATOM 0 HB3 LYS A 43 -11.785 -1.480 15.291 1.00 34.33 H new ATOM 0 HG2 LYS A 43 -13.453 -0.175 14.010 1.00 23.23 H new ATOM 0 HG3 LYS A 43 -13.078 -1.076 12.554 1.00 23.23 H new ATOM 0 HD2 LYS A 43 -13.886 -3.183 13.636 1.00 31.32 H new ATOM 0 HD3 LYS A 43 -14.236 -2.301 15.110 1.00 31.32 H new ATOM 0 HE2 LYS A 43 -16.293 -2.665 13.768 1.00 25.42 H new ATOM 0 HE3 LYS A 43 -15.954 -0.957 13.957 1.00 25.42 H new ATOM 0 HZ1 LYS A 43 -16.413 -2.228 11.605 1.00 21.41 H new ATOM 0 HZ2 LYS A 43 -15.690 -0.700 11.772 1.00 21.41 H new ATOM 0 HZ3 LYS A 43 -14.721 -2.084 11.612 1.00 21.41 H new ATOM 736 N LYS A 44 -8.554 -1.715 14.240 1.00 10.30 N ATOM 737 CA LYS A 44 -7.337 -2.099 14.991 1.00 60.42 C ATOM 738 C LYS A 44 -6.268 -0.991 14.904 1.00 74.11 C ATOM 739 O LYS A 44 -5.523 -0.750 15.864 1.00 72.10 O ATOM 740 CB LYS A 44 -6.753 -3.446 14.464 1.00 3.50 C ATOM 741 CG LYS A 44 -7.777 -4.587 14.253 1.00 74.43 C ATOM 742 CD LYS A 44 -8.587 -4.987 15.514 1.00 60.50 C ATOM 743 CE LYS A 44 -7.746 -5.615 16.652 1.00 70.11 C ATOM 744 NZ LYS A 44 -7.051 -4.601 17.490 1.00 4.54 N ATOM 0 H LYS A 44 -8.730 -2.295 13.420 1.00 10.30 H new ATOM 0 HA LYS A 44 -7.622 -2.231 16.035 1.00 60.42 H new ATOM 0 HB2 LYS A 44 -6.249 -3.256 13.516 1.00 3.50 H new ATOM 0 HB3 LYS A 44 -5.993 -3.790 15.166 1.00 3.50 H new ATOM 0 HG2 LYS A 44 -8.475 -4.287 13.472 1.00 74.43 H new ATOM 0 HG3 LYS A 44 -7.247 -5.466 13.887 1.00 74.43 H new ATOM 0 HD2 LYS A 44 -9.092 -4.102 15.900 1.00 60.50 H new ATOM 0 HD3 LYS A 44 -9.363 -5.695 15.221 1.00 60.50 H new ATOM 0 HE2 LYS A 44 -8.396 -6.218 17.286 1.00 70.11 H new ATOM 0 HE3 LYS A 44 -7.007 -6.289 16.220 1.00 70.11 H new ATOM 0 HZ1 LYS A 44 -6.990 -4.943 18.470 1.00 4.54 H new ATOM 0 HZ2 LYS A 44 -6.093 -4.442 17.119 1.00 4.54 H new ATOM 0 HZ3 LYS A 44 -7.584 -3.708 17.468 1.00 4.54 H new ATOM 758 N LEU A 45 -6.220 -0.319 13.737 1.00 13.34 N ATOM 759 CA LEU A 45 -5.304 0.804 13.489 1.00 74.14 C ATOM 760 C LEU A 45 -5.693 2.011 14.363 1.00 23.03 C ATOM 761 O LEU A 45 -4.827 2.667 14.946 1.00 43.20 O ATOM 762 CB LEU A 45 -5.316 1.170 11.977 1.00 3.13 C ATOM 763 CG LEU A 45 -4.927 0.006 11.005 1.00 42.25 C ATOM 764 CD1 LEU A 45 -5.034 0.426 9.531 1.00 64.33 C ATOM 765 CD2 LEU A 45 -3.524 -0.543 11.316 1.00 71.13 C ATOM 0 H LEU A 45 -6.817 -0.542 12.941 1.00 13.34 H new ATOM 0 HA LEU A 45 -4.290 0.511 13.760 1.00 74.14 H new ATOM 0 HB2 LEU A 45 -6.313 1.524 11.713 1.00 3.13 H new ATOM 0 HB3 LEU A 45 -4.630 2.001 11.816 1.00 3.13 H new ATOM 0 HG LEU A 45 -5.648 -0.795 11.170 1.00 42.25 H new ATOM 0 HD11 LEU A 45 -4.755 -0.412 8.893 1.00 64.33 H new ATOM 0 HD12 LEU A 45 -6.059 0.724 9.311 1.00 64.33 H new ATOM 0 HD13 LEU A 45 -4.364 1.265 9.342 1.00 64.33 H new ATOM 0 HD21 LEU A 45 -3.287 -1.349 10.622 1.00 71.13 H new ATOM 0 HD22 LEU A 45 -2.789 0.255 11.210 1.00 71.13 H new ATOM 0 HD23 LEU A 45 -3.500 -0.924 12.337 1.00 71.13 H new ATOM 777 N ALA A 46 -7.009 2.257 14.483 1.00 34.33 N ATOM 778 CA ALA A 46 -7.557 3.358 15.302 1.00 23.23 C ATOM 779 C ALA A 46 -7.319 3.145 16.822 1.00 53.51 C ATOM 780 O ALA A 46 -7.316 4.108 17.593 1.00 64.24 O ATOM 781 CB ALA A 46 -9.058 3.526 15.007 1.00 72.30 C ATOM 0 H ALA A 46 -7.724 1.700 14.016 1.00 34.33 H new ATOM 0 HA ALA A 46 -7.025 4.269 15.028 1.00 23.23 H new ATOM 0 HB1 ALA A 46 -9.459 4.339 15.613 1.00 72.30 H new ATOM 0 HB2 ALA A 46 -9.198 3.757 13.951 1.00 72.30 H new ATOM 0 HB3 ALA A 46 -9.582 2.601 15.248 1.00 72.30 H new ATOM 888 N LYS A 53 3.965 -0.576 12.968 1.00 51.54 N ATOM 889 CA LYS A 53 4.302 -0.600 11.550 1.00 34.34 C ATOM 890 C LYS A 53 3.520 -1.715 10.865 1.00 33.34 C ATOM 891 O LYS A 53 3.987 -2.856 10.762 1.00 75.24 O ATOM 892 CB LYS A 53 5.824 -0.777 11.395 1.00 10.44 C ATOM 893 CG LYS A 53 6.627 0.298 12.146 1.00 74.14 C ATOM 894 CD LYS A 53 8.136 0.191 11.931 1.00 35.14 C ATOM 895 CE LYS A 53 8.757 -1.105 12.461 1.00 50.24 C ATOM 896 NZ LYS A 53 10.239 -1.047 12.393 1.00 43.40 N ATOM 0 HA LYS A 53 4.026 0.339 11.071 1.00 34.34 H new ATOM 0 HB2 LYS A 53 6.110 -1.762 11.764 1.00 10.44 H new ATOM 0 HB3 LYS A 53 6.083 -0.745 10.337 1.00 10.44 H new ATOM 0 HG2 LYS A 53 6.291 1.283 11.823 1.00 74.14 H new ATOM 0 HG3 LYS A 53 6.413 0.222 13.212 1.00 74.14 H new ATOM 0 HD2 LYS A 53 8.346 0.271 10.864 1.00 35.14 H new ATOM 0 HD3 LYS A 53 8.621 1.038 12.416 1.00 35.14 H new ATOM 0 HE2 LYS A 53 8.442 -1.269 13.492 1.00 50.24 H new ATOM 0 HE3 LYS A 53 8.395 -1.952 11.878 1.00 50.24 H new ATOM 0 HZ1 LYS A 53 10.638 -1.936 12.757 1.00 43.40 H new ATOM 0 HZ2 LYS A 53 10.536 -0.913 11.405 1.00 43.40 H new ATOM 0 HZ3 LYS A 53 10.582 -0.252 12.969 1.00 43.40 H new ATOM 910 N ILE A 54 2.291 -1.375 10.454 1.00 42.34 N ATOM 911 CA ILE A 54 1.369 -2.313 9.827 1.00 72.42 C ATOM 912 C ILE A 54 1.379 -2.019 8.324 1.00 40.41 C ATOM 913 O ILE A 54 0.971 -0.929 7.889 1.00 4.41 O ATOM 914 CB ILE A 54 -0.095 -2.155 10.397 1.00 44.40 C ATOM 915 CG1 ILE A 54 -0.111 -2.170 11.963 1.00 75.11 C ATOM 916 CG2 ILE A 54 -1.045 -3.243 9.828 1.00 31.12 C ATOM 917 CD1 ILE A 54 0.331 -3.466 12.614 1.00 43.32 C ATOM 0 H ILE A 54 1.912 -0.433 10.551 1.00 42.34 H new ATOM 0 HA ILE A 54 1.684 -3.336 10.035 1.00 72.42 H new ATOM 0 HB ILE A 54 -0.461 -1.182 10.070 1.00 44.40 H new ATOM 0 HG12 ILE A 54 0.533 -1.367 12.322 1.00 75.11 H new ATOM 0 HG13 ILE A 54 -1.122 -1.943 12.300 1.00 75.11 H new ATOM 0 HG21 ILE A 54 -2.044 -3.105 10.241 1.00 31.12 H new ATOM 0 HG22 ILE A 54 -1.086 -3.158 8.742 1.00 31.12 H new ATOM 0 HG23 ILE A 54 -0.673 -4.230 10.101 1.00 31.12 H new ATOM 0 HD11 ILE A 54 0.281 -3.364 13.698 1.00 43.32 H new ATOM 0 HD12 ILE A 54 -0.325 -4.276 12.295 1.00 43.32 H new ATOM 0 HD13 ILE A 54 1.356 -3.691 12.318 1.00 43.32 H new ATOM 929 N LEU A 55 1.881 -2.968 7.546 1.00 32.10 N ATOM 930 CA LEU A 55 1.864 -2.881 6.091 1.00 25.11 C ATOM 931 C LEU A 55 0.583 -3.542 5.592 1.00 63.25 C ATOM 932 O LEU A 55 0.291 -4.672 5.977 1.00 2.52 O ATOM 933 CB LEU A 55 3.128 -3.547 5.497 1.00 21.02 C ATOM 934 CG LEU A 55 3.297 -3.425 3.935 1.00 71.34 C ATOM 935 CD1 LEU A 55 4.733 -3.061 3.554 1.00 55.51 C ATOM 936 CD2 LEU A 55 2.849 -4.708 3.198 1.00 63.33 C ATOM 0 H LEU A 55 2.312 -3.820 7.905 1.00 32.10 H new ATOM 0 HA LEU A 55 1.877 -1.840 5.767 1.00 25.11 H new ATOM 0 HB2 LEU A 55 4.005 -3.109 5.974 1.00 21.02 H new ATOM 0 HB3 LEU A 55 3.117 -4.605 5.761 1.00 21.02 H new ATOM 0 HG LEU A 55 2.642 -2.615 3.614 1.00 71.34 H new ATOM 0 HD11 LEU A 55 4.814 -2.985 2.470 1.00 55.51 H new ATOM 0 HD12 LEU A 55 4.998 -2.105 4.005 1.00 55.51 H new ATOM 0 HD13 LEU A 55 5.412 -3.833 3.915 1.00 55.51 H new ATOM 0 HD21 LEU A 55 2.984 -4.577 2.124 1.00 63.33 H new ATOM 0 HD22 LEU A 55 3.449 -5.552 3.539 1.00 63.33 H new ATOM 0 HD23 LEU A 55 1.798 -4.901 3.411 1.00 63.33 H new ATOM 948 N ILE A 56 -0.186 -2.830 4.763 1.00 62.42 N ATOM 949 CA ILE A 56 -1.439 -3.344 4.201 1.00 42.35 C ATOM 950 C ILE A 56 -1.265 -3.569 2.690 1.00 54.12 C ATOM 951 O ILE A 56 -0.742 -2.702 1.983 1.00 60.12 O ATOM 952 CB ILE A 56 -2.651 -2.366 4.443 1.00 5.41 C ATOM 953 CG1 ILE A 56 -2.807 -1.947 5.951 1.00 71.03 C ATOM 954 CG2 ILE A 56 -3.961 -3.012 3.919 1.00 2.14 C ATOM 955 CD1 ILE A 56 -3.249 -3.053 6.892 1.00 13.35 C ATOM 0 H ILE A 56 0.042 -1.882 4.463 1.00 62.42 H new ATOM 0 HA ILE A 56 -1.665 -4.282 4.708 1.00 42.35 H new ATOM 0 HB ILE A 56 -2.444 -1.451 3.888 1.00 5.41 H new ATOM 0 HG12 ILE A 56 -1.853 -1.554 6.302 1.00 71.03 H new ATOM 0 HG13 ILE A 56 -3.528 -1.132 6.011 1.00 71.03 H new ATOM 0 HG21 ILE A 56 -4.795 -2.332 4.089 1.00 2.14 H new ATOM 0 HG22 ILE A 56 -3.867 -3.211 2.852 1.00 2.14 H new ATOM 0 HG23 ILE A 56 -4.142 -3.948 4.448 1.00 2.14 H new ATOM 0 HD11 ILE A 56 -3.326 -2.659 7.906 1.00 13.35 H new ATOM 0 HD12 ILE A 56 -4.220 -3.433 6.576 1.00 13.35 H new ATOM 0 HD13 ILE A 56 -2.519 -3.862 6.871 1.00 13.35 H new ATOM 967 N ILE A 57 -1.705 -4.738 2.213 1.00 42.22 N ATOM 968 CA ILE A 57 -1.810 -5.046 0.786 1.00 45.24 C ATOM 969 C ILE A 57 -3.301 -5.194 0.443 1.00 35.01 C ATOM 970 O ILE A 57 -4.015 -5.983 1.066 1.00 43.01 O ATOM 971 CB ILE A 57 -1.005 -6.350 0.398 1.00 71.44 C ATOM 972 CG1 ILE A 57 0.517 -6.171 0.723 1.00 61.32 C ATOM 973 CG2 ILE A 57 -1.214 -6.717 -1.096 1.00 34.44 C ATOM 974 CD1 ILE A 57 1.392 -7.386 0.438 1.00 62.33 C ATOM 0 H ILE A 57 -2.002 -5.505 2.816 1.00 42.22 H new ATOM 0 HA ILE A 57 -1.366 -4.235 0.208 1.00 45.24 H new ATOM 0 HB ILE A 57 -1.390 -7.176 0.996 1.00 71.44 H new ATOM 0 HG12 ILE A 57 0.898 -5.327 0.148 1.00 61.32 H new ATOM 0 HG13 ILE A 57 0.618 -5.910 1.776 1.00 61.32 H new ATOM 0 HG21 ILE A 57 -0.648 -7.618 -1.332 1.00 34.44 H new ATOM 0 HG22 ILE A 57 -2.273 -6.895 -1.282 1.00 34.44 H new ATOM 0 HG23 ILE A 57 -0.868 -5.896 -1.724 1.00 34.44 H new ATOM 0 HD11 ILE A 57 2.426 -7.158 0.697 1.00 62.33 H new ATOM 0 HD12 ILE A 57 1.046 -8.231 1.034 1.00 62.33 H new ATOM 0 HD13 ILE A 57 1.330 -7.639 -0.620 1.00 62.33 H new ATOM 986 N SER A 58 -3.775 -4.408 -0.527 1.00 62.12 N ATOM 987 CA SER A 58 -5.152 -4.503 -1.025 1.00 54.23 C ATOM 988 C SER A 58 -5.080 -4.802 -2.522 1.00 14.10 C ATOM 989 O SER A 58 -4.566 -3.996 -3.283 1.00 41.15 O ATOM 990 CB SER A 58 -5.925 -3.190 -0.734 1.00 4.11 C ATOM 991 OG SER A 58 -7.293 -3.295 -1.089 1.00 72.51 O ATOM 0 H SER A 58 -3.218 -3.689 -0.989 1.00 62.12 H new ATOM 0 HA SER A 58 -5.696 -5.301 -0.520 1.00 54.23 H new ATOM 0 HB2 SER A 58 -5.842 -2.946 0.325 1.00 4.11 H new ATOM 0 HB3 SER A 58 -5.468 -2.369 -1.287 1.00 4.11 H new ATOM 0 HG SER A 58 -7.419 -2.968 -2.004 1.00 72.51 H new ATOM 997 N ASN A 59 -5.587 -5.970 -2.919 1.00 61.25 N ATOM 998 CA ASN A 59 -5.610 -6.430 -4.324 1.00 73.21 C ATOM 999 C ASN A 59 -6.739 -5.723 -5.119 1.00 50.34 C ATOM 1000 O ASN A 59 -6.706 -5.657 -6.354 1.00 25.32 O ATOM 1001 CB ASN A 59 -5.796 -7.976 -4.319 1.00 10.12 C ATOM 1002 CG ASN A 59 -5.871 -8.654 -5.697 1.00 3.22 C ATOM 1003 OD1 ASN A 59 -6.592 -9.633 -5.861 1.00 23.32 O ATOM 1004 ND2 ASN A 59 -5.109 -8.182 -6.677 1.00 21.31 N ATOM 0 H ASN A 59 -6.001 -6.639 -2.270 1.00 61.25 H new ATOM 0 HA ASN A 59 -4.674 -6.176 -4.821 1.00 73.21 H new ATOM 0 HB2 ASN A 59 -4.969 -8.419 -3.764 1.00 10.12 H new ATOM 0 HB3 ASN A 59 -6.709 -8.210 -3.772 1.00 10.12 H new ATOM 0 HD21 ASN A 59 -5.115 -8.635 -7.591 1.00 21.31 H new ATOM 0 HD22 ASN A 59 -4.518 -7.366 -6.516 1.00 21.31 H new ATOM 1011 N ASP A 60 -7.712 -5.171 -4.377 1.00 13.31 N ATOM 1012 CA ASP A 60 -8.900 -4.489 -4.923 1.00 54.45 C ATOM 1013 C ASP A 60 -8.709 -2.960 -4.815 1.00 75.14 C ATOM 1014 O ASP A 60 -8.174 -2.466 -3.812 1.00 25.42 O ATOM 1015 CB ASP A 60 -10.152 -4.958 -4.128 1.00 30.23 C ATOM 1016 CG ASP A 60 -11.487 -4.395 -4.647 1.00 4.52 C ATOM 1017 OD1 ASP A 60 -12.079 -4.992 -5.567 1.00 53.33 O ATOM 1018 OD2 ASP A 60 -11.942 -3.349 -4.143 1.00 14.42 O ATOM 0 H ASP A 60 -7.696 -5.186 -3.357 1.00 13.31 H new ATOM 0 HA ASP A 60 -9.038 -4.739 -5.975 1.00 54.45 H new ATOM 0 HB2 ASP A 60 -10.197 -6.047 -4.155 1.00 30.23 H new ATOM 0 HB3 ASP A 60 -10.032 -4.670 -3.084 1.00 30.23 H new ATOM 1023 N LYS A 61 -9.143 -2.224 -5.856 1.00 34.43 N ATOM 1024 CA LYS A 61 -8.981 -0.753 -5.940 1.00 30.40 C ATOM 1025 C LYS A 61 -9.914 -0.004 -4.965 1.00 61.02 C ATOM 1026 O LYS A 61 -9.530 1.032 -4.406 1.00 4.30 O ATOM 1027 CB LYS A 61 -9.248 -0.261 -7.393 1.00 62.01 C ATOM 1028 CG LYS A 61 -8.301 -0.845 -8.466 1.00 42.32 C ATOM 1029 CD LYS A 61 -6.834 -0.389 -8.300 1.00 34.44 C ATOM 1030 CE LYS A 61 -5.913 -0.970 -9.380 1.00 34.13 C ATOM 1031 NZ LYS A 61 -4.524 -0.458 -9.257 1.00 32.12 N ATOM 0 H LYS A 61 -9.616 -2.629 -6.664 1.00 34.43 H new ATOM 0 HA LYS A 61 -7.952 -0.531 -5.656 1.00 30.40 H new ATOM 0 HB2 LYS A 61 -10.275 -0.510 -7.662 1.00 62.01 H new ATOM 0 HB3 LYS A 61 -9.168 0.826 -7.413 1.00 62.01 H new ATOM 0 HG2 LYS A 61 -8.343 -1.933 -8.424 1.00 42.32 H new ATOM 0 HG3 LYS A 61 -8.656 -0.550 -9.453 1.00 42.32 H new ATOM 0 HD2 LYS A 61 -6.789 0.699 -8.336 1.00 34.44 H new ATOM 0 HD3 LYS A 61 -6.472 -0.691 -7.317 1.00 34.44 H new ATOM 0 HE2 LYS A 61 -5.907 -2.057 -9.306 1.00 34.13 H new ATOM 0 HE3 LYS A 61 -6.306 -0.720 -10.365 1.00 34.13 H new ATOM 0 HZ1 LYS A 61 -4.036 -0.555 -10.170 1.00 32.12 H new ATOM 0 HZ2 LYS A 61 -4.547 0.545 -8.981 1.00 32.12 H new ATOM 0 HZ3 LYS A 61 -4.015 -1.005 -8.533 1.00 32.12 H new ATOM 1045 N GLN A 62 -11.134 -0.536 -4.762 1.00 33.40 N ATOM 1046 CA GLN A 62 -12.174 0.146 -3.970 1.00 33.23 C ATOM 1047 C GLN A 62 -11.861 0.043 -2.470 1.00 11.33 C ATOM 1048 O GLN A 62 -12.014 1.026 -1.741 1.00 21.40 O ATOM 1049 CB GLN A 62 -13.577 -0.431 -4.293 1.00 53.44 C ATOM 1050 CG GLN A 62 -14.755 0.323 -3.642 1.00 52.34 C ATOM 1051 CD GLN A 62 -14.861 1.788 -4.086 1.00 53.44 C ATOM 1052 OE1 GLN A 62 -14.499 2.144 -5.207 1.00 24.40 O ATOM 1053 NE2 GLN A 62 -15.341 2.642 -3.203 1.00 11.41 N ATOM 0 H GLN A 62 -11.424 -1.439 -5.137 1.00 33.40 H new ATOM 0 HA GLN A 62 -12.179 1.202 -4.241 1.00 33.23 H new ATOM 0 HB2 GLN A 62 -13.715 -0.427 -5.374 1.00 53.44 H new ATOM 0 HB3 GLN A 62 -13.609 -1.472 -3.971 1.00 53.44 H new ATOM 0 HG2 GLN A 62 -15.685 -0.191 -3.886 1.00 52.34 H new ATOM 0 HG3 GLN A 62 -14.645 0.287 -2.558 1.00 52.34 H new ATOM 0 HE21 GLN A 62 -15.632 2.314 -2.282 1.00 11.41 H new ATOM 0 HE22 GLN A 62 -15.421 3.631 -3.441 1.00 11.41 H new ATOM 1062 N LEU A 63 -11.386 -1.145 -2.029 1.00 42.23 N ATOM 1063 CA LEU A 63 -10.953 -1.374 -0.630 1.00 14.33 C ATOM 1064 C LEU A 63 -9.789 -0.437 -0.267 1.00 24.21 C ATOM 1065 O LEU A 63 -9.718 0.071 0.852 1.00 24.21 O ATOM 1066 CB LEU A 63 -10.541 -2.860 -0.416 1.00 22.30 C ATOM 1067 CG LEU A 63 -11.682 -3.902 -0.605 1.00 2.22 C ATOM 1068 CD1 LEU A 63 -11.175 -5.344 -0.428 1.00 31.12 C ATOM 1069 CD2 LEU A 63 -12.852 -3.609 0.350 1.00 25.22 C ATOM 0 H LEU A 63 -11.292 -1.966 -2.627 1.00 42.23 H new ATOM 0 HA LEU A 63 -11.794 -1.154 0.028 1.00 14.33 H new ATOM 0 HB2 LEU A 63 -9.735 -3.099 -1.109 1.00 22.30 H new ATOM 0 HB3 LEU A 63 -10.138 -2.966 0.591 1.00 22.30 H new ATOM 0 HG LEU A 63 -12.043 -3.810 -1.629 1.00 2.22 H new ATOM 0 HD11 LEU A 63 -12.002 -6.040 -0.568 1.00 31.12 H new ATOM 0 HD12 LEU A 63 -10.399 -5.550 -1.165 1.00 31.12 H new ATOM 0 HD13 LEU A 63 -10.765 -5.465 0.575 1.00 31.12 H new ATOM 0 HD21 LEU A 63 -13.638 -4.349 0.201 1.00 25.22 H new ATOM 0 HD22 LEU A 63 -12.501 -3.656 1.381 1.00 25.22 H new ATOM 0 HD23 LEU A 63 -13.248 -2.614 0.146 1.00 25.22 H new ATOM 1081 N LEU A 64 -8.910 -0.211 -1.255 1.00 20.10 N ATOM 1082 CA LEU A 64 -7.786 0.728 -1.155 1.00 2.53 C ATOM 1083 C LEU A 64 -8.299 2.164 -0.908 1.00 1.22 C ATOM 1084 O LEU A 64 -7.787 2.857 -0.020 1.00 24.53 O ATOM 1085 CB LEU A 64 -6.935 0.627 -2.457 1.00 53.33 C ATOM 1086 CG LEU A 64 -5.729 1.628 -2.636 1.00 42.41 C ATOM 1087 CD1 LEU A 64 -4.634 1.018 -3.513 1.00 22.34 C ATOM 1088 CD2 LEU A 64 -6.165 2.985 -3.250 1.00 24.01 C ATOM 0 H LEU A 64 -8.962 -0.683 -2.158 1.00 20.10 H new ATOM 0 HA LEU A 64 -7.155 0.470 -0.304 1.00 2.53 H new ATOM 0 HB2 LEU A 64 -6.539 -0.387 -2.519 1.00 53.33 H new ATOM 0 HB3 LEU A 64 -7.607 0.759 -3.305 1.00 53.33 H new ATOM 0 HG LEU A 64 -5.343 1.814 -1.634 1.00 42.41 H new ATOM 0 HD11 LEU A 64 -3.815 1.729 -3.620 1.00 22.34 H new ATOM 0 HD12 LEU A 64 -4.263 0.104 -3.049 1.00 22.34 H new ATOM 0 HD13 LEU A 64 -5.043 0.785 -4.496 1.00 22.34 H new ATOM 0 HD21 LEU A 64 -5.296 3.635 -3.351 1.00 24.01 H new ATOM 0 HD22 LEU A 64 -6.607 2.815 -4.232 1.00 24.01 H new ATOM 0 HD23 LEU A 64 -6.899 3.460 -2.599 1.00 24.01 H new ATOM 1100 N LYS A 65 -9.287 2.597 -1.734 1.00 63.00 N ATOM 1101 CA LYS A 65 -9.881 3.951 -1.651 1.00 1.25 C ATOM 1102 C LYS A 65 -10.421 4.223 -0.243 1.00 71.13 C ATOM 1103 O LYS A 65 -9.979 5.172 0.429 1.00 15.42 O ATOM 1104 CB LYS A 65 -11.023 4.122 -2.689 1.00 11.41 C ATOM 1105 CG LYS A 65 -10.549 4.220 -4.151 1.00 51.32 C ATOM 1106 CD LYS A 65 -11.712 4.417 -5.147 1.00 61.12 C ATOM 1107 CE LYS A 65 -12.603 5.633 -4.815 1.00 14.34 C ATOM 1108 NZ LYS A 65 -11.819 6.892 -4.679 1.00 2.22 N ATOM 0 H LYS A 65 -9.690 2.018 -2.471 1.00 63.00 H new ATOM 0 HA LYS A 65 -9.093 4.670 -1.874 1.00 1.25 H new ATOM 0 HB2 LYS A 65 -11.708 3.279 -2.598 1.00 11.41 H new ATOM 0 HB3 LYS A 65 -11.589 5.021 -2.443 1.00 11.41 H new ATOM 0 HG2 LYS A 65 -9.851 5.051 -4.246 1.00 51.32 H new ATOM 0 HG3 LYS A 65 -10.003 3.314 -4.412 1.00 51.32 H new ATOM 0 HD2 LYS A 65 -11.305 4.538 -6.151 1.00 61.12 H new ATOM 0 HD3 LYS A 65 -12.327 3.517 -5.159 1.00 61.12 H new ATOM 0 HE2 LYS A 65 -13.351 5.757 -5.599 1.00 14.34 H new ATOM 0 HE3 LYS A 65 -13.142 5.442 -3.887 1.00 14.34 H new ATOM 0 HZ1 LYS A 65 -12.469 7.694 -4.557 1.00 2.22 H new ATOM 0 HZ2 LYS A 65 -11.194 6.824 -3.851 1.00 2.22 H new ATOM 0 HZ3 LYS A 65 -11.245 7.038 -5.534 1.00 2.22 H new ATOM 1122 N GLU A 66 -11.342 3.338 0.192 1.00 73.15 N ATOM 1123 CA GLU A 66 -12.007 3.421 1.500 1.00 14.53 C ATOM 1124 C GLU A 66 -10.977 3.530 2.623 1.00 32.03 C ATOM 1125 O GLU A 66 -11.074 4.413 3.475 1.00 74.15 O ATOM 1126 CB GLU A 66 -12.910 2.175 1.739 1.00 54.14 C ATOM 1127 CG GLU A 66 -13.969 1.912 0.646 1.00 42.55 C ATOM 1128 CD GLU A 66 -14.837 3.144 0.331 1.00 1.55 C ATOM 1129 OE1 GLU A 66 -15.756 3.455 1.119 1.00 44.01 O ATOM 1130 OE2 GLU A 66 -14.610 3.804 -0.703 1.00 62.14 O ATOM 0 H GLU A 66 -11.645 2.539 -0.365 1.00 73.15 H new ATOM 0 HA GLU A 66 -12.630 4.315 1.502 1.00 14.53 H new ATOM 0 HB2 GLU A 66 -12.273 1.295 1.824 1.00 54.14 H new ATOM 0 HB3 GLU A 66 -13.419 2.293 2.695 1.00 54.14 H new ATOM 0 HG2 GLU A 66 -13.467 1.587 -0.265 1.00 42.55 H new ATOM 0 HG3 GLU A 66 -14.614 1.093 0.964 1.00 42.55 H new ATOM 1137 N MET A 67 -9.968 2.654 2.547 1.00 0.14 N ATOM 1138 CA MET A 67 -8.909 2.540 3.549 1.00 52.42 C ATOM 1139 C MET A 67 -8.172 3.872 3.743 1.00 11.22 C ATOM 1140 O MET A 67 -8.126 4.382 4.852 1.00 1.43 O ATOM 1141 CB MET A 67 -7.924 1.437 3.120 1.00 42.11 C ATOM 1142 CG MET A 67 -6.961 0.967 4.209 1.00 65.50 C ATOM 1143 SD MET A 67 -6.006 -0.468 3.703 1.00 41.53 S ATOM 1144 CE MET A 67 -7.267 -1.614 3.146 1.00 13.44 C ATOM 0 H MET A 67 -9.866 1.996 1.775 1.00 0.14 H new ATOM 0 HA MET A 67 -9.361 2.278 4.506 1.00 52.42 H new ATOM 0 HB2 MET A 67 -8.496 0.579 2.767 1.00 42.11 H new ATOM 0 HB3 MET A 67 -7.341 1.801 2.274 1.00 42.11 H new ATOM 0 HG2 MET A 67 -6.282 1.780 4.466 1.00 65.50 H new ATOM 0 HG3 MET A 67 -7.525 0.726 5.110 1.00 65.50 H new ATOM 0 HE1 MET A 67 -6.801 -2.557 2.860 1.00 13.44 H new ATOM 0 HE2 MET A 67 -7.979 -1.791 3.952 1.00 13.44 H new ATOM 0 HE3 MET A 67 -7.789 -1.192 2.287 1.00 13.44 H new ATOM 1154 N LEU A 68 -7.667 4.451 2.635 1.00 3.33 N ATOM 1155 CA LEU A 68 -6.839 5.678 2.669 1.00 23.55 C ATOM 1156 C LEU A 68 -7.645 6.913 3.127 1.00 35.22 C ATOM 1157 O LEU A 68 -7.081 7.845 3.710 1.00 43.24 O ATOM 1158 CB LEU A 68 -6.186 5.915 1.281 1.00 12.53 C ATOM 1159 CG LEU A 68 -5.180 4.809 0.829 1.00 44.44 C ATOM 1160 CD1 LEU A 68 -4.636 5.070 -0.581 1.00 15.41 C ATOM 1161 CD2 LEU A 68 -4.027 4.674 1.839 1.00 65.54 C ATOM 0 H LEU A 68 -7.819 4.085 1.695 1.00 3.33 H new ATOM 0 HA LEU A 68 -6.052 5.531 3.409 1.00 23.55 H new ATOM 0 HB2 LEU A 68 -6.975 5.995 0.533 1.00 12.53 H new ATOM 0 HB3 LEU A 68 -5.666 6.873 1.299 1.00 12.53 H new ATOM 0 HG LEU A 68 -5.728 3.867 0.798 1.00 44.44 H new ATOM 0 HD11 LEU A 68 -3.940 4.277 -0.855 1.00 15.41 H new ATOM 0 HD12 LEU A 68 -5.462 5.090 -1.292 1.00 15.41 H new ATOM 0 HD13 LEU A 68 -4.118 6.029 -0.600 1.00 15.41 H new ATOM 0 HD21 LEU A 68 -3.339 3.898 1.504 1.00 65.54 H new ATOM 0 HD22 LEU A 68 -3.496 5.623 1.914 1.00 65.54 H new ATOM 0 HD23 LEU A 68 -4.429 4.405 2.816 1.00 65.54 H new ATOM 1173 N GLU A 69 -8.965 6.902 2.861 1.00 42.11 N ATOM 1174 CA GLU A 69 -9.892 7.964 3.315 1.00 54.52 C ATOM 1175 C GLU A 69 -10.184 7.839 4.827 1.00 2.33 C ATOM 1176 O GLU A 69 -10.383 8.848 5.517 1.00 64.05 O ATOM 1177 CB GLU A 69 -11.189 7.919 2.461 1.00 0.40 C ATOM 1178 CG GLU A 69 -10.925 8.209 0.967 1.00 61.23 C ATOM 1179 CD GLU A 69 -12.164 8.059 0.071 1.00 3.02 C ATOM 1180 OE1 GLU A 69 -13.010 8.975 0.056 1.00 5.12 O ATOM 1181 OE2 GLU A 69 -12.278 7.043 -0.651 1.00 75.51 O ATOM 0 H GLU A 69 -9.420 6.161 2.328 1.00 42.11 H new ATOM 0 HA GLU A 69 -9.424 8.938 3.171 1.00 54.52 H new ATOM 0 HB2 GLU A 69 -11.652 6.937 2.561 1.00 0.40 H new ATOM 0 HB3 GLU A 69 -11.901 8.648 2.849 1.00 0.40 H new ATOM 0 HG2 GLU A 69 -10.538 9.223 0.868 1.00 61.23 H new ATOM 0 HG3 GLU A 69 -10.147 7.535 0.609 1.00 61.23 H new ATOM 1188 N LEU A 70 -10.184 6.594 5.335 1.00 43.21 N ATOM 1189 CA LEU A 70 -10.280 6.311 6.785 1.00 75.31 C ATOM 1190 C LEU A 70 -8.963 6.715 7.493 1.00 54.44 C ATOM 1191 O LEU A 70 -8.986 7.264 8.599 1.00 64.24 O ATOM 1192 CB LEU A 70 -10.595 4.804 7.017 1.00 74.12 C ATOM 1193 CG LEU A 70 -11.976 4.308 6.474 1.00 43.11 C ATOM 1194 CD1 LEU A 70 -12.087 2.772 6.502 1.00 41.40 C ATOM 1195 CD2 LEU A 70 -13.143 4.956 7.243 1.00 71.31 C ATOM 0 H LEU A 70 -10.118 5.756 4.758 1.00 43.21 H new ATOM 0 HA LEU A 70 -11.093 6.899 7.211 1.00 75.31 H new ATOM 0 HB2 LEU A 70 -9.808 4.211 6.551 1.00 74.12 H new ATOM 0 HB3 LEU A 70 -10.553 4.604 8.088 1.00 74.12 H new ATOM 0 HG LEU A 70 -12.040 4.621 5.432 1.00 43.11 H new ATOM 0 HD11 LEU A 70 -13.061 2.471 6.117 1.00 41.40 H new ATOM 0 HD12 LEU A 70 -11.302 2.339 5.882 1.00 41.40 H new ATOM 0 HD13 LEU A 70 -11.977 2.418 7.527 1.00 41.40 H new ATOM 0 HD21 LEU A 70 -14.089 4.592 6.843 1.00 71.31 H new ATOM 0 HD22 LEU A 70 -13.072 4.696 8.299 1.00 71.31 H new ATOM 0 HD23 LEU A 70 -13.095 6.039 7.132 1.00 71.31 H new ATOM 1207 N ILE A 71 -7.822 6.475 6.806 1.00 24.14 N ATOM 1208 CA ILE A 71 -6.470 6.805 7.314 1.00 5.23 C ATOM 1209 C ILE A 71 -6.252 8.329 7.339 1.00 1.04 C ATOM 1210 O ILE A 71 -5.517 8.837 8.193 1.00 54.24 O ATOM 1211 CB ILE A 71 -5.337 6.119 6.454 1.00 42.31 C ATOM 1212 CG1 ILE A 71 -5.479 4.568 6.475 1.00 14.11 C ATOM 1213 CG2 ILE A 71 -3.931 6.533 6.946 1.00 45.54 C ATOM 1214 CD1 ILE A 71 -4.579 3.820 5.496 1.00 31.14 C ATOM 0 H ILE A 71 -7.813 6.046 5.881 1.00 24.14 H new ATOM 0 HA ILE A 71 -6.408 6.417 8.331 1.00 5.23 H new ATOM 0 HB ILE A 71 -5.455 6.463 5.427 1.00 42.31 H new ATOM 0 HG12 ILE A 71 -5.266 4.213 7.483 1.00 14.11 H new ATOM 0 HG13 ILE A 71 -6.516 4.311 6.259 1.00 14.11 H new ATOM 0 HG21 ILE A 71 -3.173 6.044 6.334 1.00 45.54 H new ATOM 0 HG22 ILE A 71 -3.821 7.614 6.865 1.00 45.54 H new ATOM 0 HG23 ILE A 71 -3.806 6.233 7.986 1.00 45.54 H new ATOM 0 HD11 ILE A 71 -4.753 2.748 5.588 1.00 31.14 H new ATOM 0 HD12 ILE A 71 -4.805 4.138 4.478 1.00 31.14 H new ATOM 0 HD13 ILE A 71 -3.535 4.039 5.721 1.00 31.14 H new ATOM 1226 N SER A 72 -6.909 9.047 6.406 1.00 61.32 N ATOM 1227 CA SER A 72 -6.853 10.518 6.333 1.00 22.23 C ATOM 1228 C SER A 72 -7.392 11.140 7.639 1.00 54.40 C ATOM 1229 O SER A 72 -6.866 12.145 8.123 1.00 14.34 O ATOM 1230 CB SER A 72 -7.655 11.019 5.107 1.00 22.13 C ATOM 1231 OG SER A 72 -7.556 12.428 4.952 1.00 34.11 O ATOM 0 H SER A 72 -7.492 8.623 5.684 1.00 61.32 H new ATOM 0 HA SER A 72 -5.815 10.829 6.214 1.00 22.23 H new ATOM 0 HB2 SER A 72 -7.287 10.527 4.206 1.00 22.13 H new ATOM 0 HB3 SER A 72 -8.702 10.738 5.218 1.00 22.13 H new ATOM 0 HG SER A 72 -8.073 12.708 4.168 1.00 34.11 H new ATOM 1237 N LYS A 73 -8.420 10.485 8.222 1.00 62.12 N ATOM 1238 CA LYS A 73 -9.012 10.880 9.514 1.00 74.35 C ATOM 1239 C LYS A 73 -8.054 10.562 10.681 1.00 60.10 C ATOM 1240 O LYS A 73 -7.984 11.312 11.660 1.00 70.11 O ATOM 1241 CB LYS A 73 -10.361 10.147 9.728 1.00 20.11 C ATOM 1242 CG LYS A 73 -11.431 10.482 8.674 1.00 11.32 C ATOM 1243 CD LYS A 73 -12.767 9.753 8.934 1.00 23.12 C ATOM 1244 CE LYS A 73 -13.894 10.243 8.010 1.00 62.52 C ATOM 1245 NZ LYS A 73 -14.195 11.688 8.218 1.00 13.33 N ATOM 0 H LYS A 73 -8.862 9.665 7.806 1.00 62.12 H new ATOM 0 HA LYS A 73 -9.185 11.956 9.493 1.00 74.35 H new ATOM 0 HB2 LYS A 73 -10.183 9.072 9.721 1.00 20.11 H new ATOM 0 HB3 LYS A 73 -10.747 10.400 10.715 1.00 20.11 H new ATOM 0 HG2 LYS A 73 -11.604 11.558 8.666 1.00 11.32 H new ATOM 0 HG3 LYS A 73 -11.060 10.211 7.686 1.00 11.32 H new ATOM 0 HD2 LYS A 73 -12.626 8.681 8.793 1.00 23.12 H new ATOM 0 HD3 LYS A 73 -13.062 9.902 9.973 1.00 23.12 H new ATOM 0 HE2 LYS A 73 -13.609 10.077 6.971 1.00 62.52 H new ATOM 0 HE3 LYS A 73 -14.794 9.655 8.192 1.00 62.52 H new ATOM 0 HZ1 LYS A 73 -15.116 11.916 7.791 1.00 13.33 H new ATOM 0 HZ2 LYS A 73 -14.225 11.893 9.237 1.00 13.33 H new ATOM 0 HZ3 LYS A 73 -13.454 12.265 7.771 1.00 13.33 H new ATOM 1259 N LEU A 74 -7.330 9.436 10.551 1.00 61.33 N ATOM 1260 CA LEU A 74 -6.367 8.958 11.566 1.00 52.32 C ATOM 1261 C LEU A 74 -5.067 9.796 11.555 1.00 34.31 C ATOM 1262 O LEU A 74 -4.371 9.893 12.574 1.00 72.50 O ATOM 1263 CB LEU A 74 -6.061 7.455 11.309 1.00 62.14 C ATOM 1264 CG LEU A 74 -7.297 6.494 11.342 1.00 15.52 C ATOM 1265 CD1 LEU A 74 -6.917 5.048 10.953 1.00 42.21 C ATOM 1266 CD2 LEU A 74 -8.002 6.533 12.715 1.00 53.24 C ATOM 0 H LEU A 74 -7.395 8.827 9.735 1.00 61.33 H new ATOM 0 HA LEU A 74 -6.811 9.075 12.555 1.00 52.32 H new ATOM 0 HB2 LEU A 74 -5.578 7.363 10.336 1.00 62.14 H new ATOM 0 HB3 LEU A 74 -5.342 7.117 12.055 1.00 62.14 H new ATOM 0 HG LEU A 74 -8.001 6.855 10.592 1.00 15.52 H new ATOM 0 HD11 LEU A 74 -7.805 4.416 10.989 1.00 42.21 H new ATOM 0 HD12 LEU A 74 -6.506 5.039 9.943 1.00 42.21 H new ATOM 0 HD13 LEU A 74 -6.172 4.667 11.651 1.00 42.21 H new ATOM 0 HD21 LEU A 74 -8.856 5.855 12.705 1.00 53.24 H new ATOM 0 HD22 LEU A 74 -7.303 6.224 13.492 1.00 53.24 H new ATOM 0 HD23 LEU A 74 -8.346 7.547 12.919 1.00 53.24 H new ATOM 1278 N GLY A 75 -4.766 10.400 10.393 1.00 65.31 N ATOM 1279 CA GLY A 75 -3.603 11.270 10.223 1.00 61.24 C ATOM 1280 C GLY A 75 -2.273 10.523 10.138 1.00 25.41 C ATOM 1281 O GLY A 75 -1.239 11.058 10.547 1.00 70.21 O ATOM 0 H GLY A 75 -5.327 10.295 9.547 1.00 65.31 H new ATOM 0 HA2 GLY A 75 -3.734 11.861 9.317 1.00 61.24 H new ATOM 0 HA3 GLY A 75 -3.562 11.970 11.057 1.00 61.24 H new ATOM 1285 N TYR A 76 -2.304 9.284 9.603 1.00 10.45 N ATOM 1286 CA TYR A 76 -1.087 8.460 9.405 1.00 43.42 C ATOM 1287 C TYR A 76 -0.505 8.731 8.008 1.00 30.44 C ATOM 1288 O TYR A 76 -1.261 8.796 7.024 1.00 54.01 O ATOM 1289 CB TYR A 76 -1.397 6.939 9.550 1.00 64.15 C ATOM 1290 CG TYR A 76 -2.084 6.497 10.856 1.00 11.54 C ATOM 1291 CD1 TYR A 76 -1.960 7.220 12.047 1.00 13.02 C ATOM 1292 CD2 TYR A 76 -2.839 5.322 10.892 1.00 51.30 C ATOM 1293 CE1 TYR A 76 -2.565 6.787 13.206 1.00 52.11 C ATOM 1294 CE2 TYR A 76 -3.445 4.892 12.048 1.00 14.22 C ATOM 1295 CZ TYR A 76 -3.304 5.626 13.200 1.00 11.12 C ATOM 1296 OH TYR A 76 -3.902 5.196 14.351 1.00 20.34 O ATOM 0 H TYR A 76 -3.164 8.828 9.298 1.00 10.45 H new ATOM 0 HA TYR A 76 -0.365 8.735 10.174 1.00 43.42 H new ATOM 0 HB2 TYR A 76 -2.029 6.639 8.714 1.00 64.15 H new ATOM 0 HB3 TYR A 76 -0.460 6.390 9.455 1.00 64.15 H new ATOM 0 HD1 TYR A 76 -1.381 8.132 12.058 1.00 13.02 H new ATOM 0 HD2 TYR A 76 -2.949 4.738 9.990 1.00 51.30 H new ATOM 0 HE1 TYR A 76 -2.460 7.357 14.117 1.00 52.11 H new ATOM 0 HE2 TYR A 76 -4.028 3.983 12.050 1.00 14.22 H new ATOM 0 HH TYR A 76 -4.319 4.323 14.197 1.00 20.34 H new ATOM 1306 N LYS A 77 0.830 8.888 7.920 1.00 63.43 N ATOM 1307 CA LYS A 77 1.505 9.120 6.635 1.00 74.13 C ATOM 1308 C LYS A 77 1.651 7.766 5.916 1.00 1.11 C ATOM 1309 O LYS A 77 2.360 6.872 6.395 1.00 12.44 O ATOM 1310 CB LYS A 77 2.889 9.832 6.838 1.00 72.01 C ATOM 1311 CG LYS A 77 3.420 10.603 5.588 1.00 42.11 C ATOM 1312 CD LYS A 77 3.900 9.691 4.430 1.00 2.20 C ATOM 1313 CE LYS A 77 4.200 10.459 3.130 1.00 74.01 C ATOM 1314 NZ LYS A 77 5.232 11.522 3.304 1.00 23.34 N ATOM 0 H LYS A 77 1.458 8.858 8.723 1.00 63.43 H new ATOM 0 HA LYS A 77 0.909 9.792 6.017 1.00 74.13 H new ATOM 0 HB2 LYS A 77 2.803 10.532 7.669 1.00 72.01 H new ATOM 0 HB3 LYS A 77 3.627 9.084 7.126 1.00 72.01 H new ATOM 0 HG2 LYS A 77 2.630 11.256 5.217 1.00 42.11 H new ATOM 0 HG3 LYS A 77 4.246 11.244 5.896 1.00 42.11 H new ATOM 0 HD2 LYS A 77 4.798 9.160 4.745 1.00 2.20 H new ATOM 0 HD3 LYS A 77 3.137 8.938 4.231 1.00 2.20 H new ATOM 0 HE2 LYS A 77 4.536 9.755 2.369 1.00 74.01 H new ATOM 0 HE3 LYS A 77 3.279 10.911 2.761 1.00 74.01 H new ATOM 0 HZ1 LYS A 77 5.391 12.003 2.396 1.00 23.34 H new ATOM 0 HZ2 LYS A 77 4.904 12.212 4.009 1.00 23.34 H new ATOM 0 HZ3 LYS A 77 6.122 11.092 3.628 1.00 23.34 H new ATOM 1328 N VAL A 78 0.954 7.626 4.781 1.00 3.34 N ATOM 1329 CA VAL A 78 1.011 6.413 3.953 1.00 13.34 C ATOM 1330 C VAL A 78 1.913 6.613 2.730 1.00 21.32 C ATOM 1331 O VAL A 78 1.925 7.686 2.113 1.00 22.21 O ATOM 1332 CB VAL A 78 -0.420 5.964 3.488 1.00 31.32 C ATOM 1333 CG1 VAL A 78 -0.368 4.688 2.617 1.00 44.45 C ATOM 1334 CG2 VAL A 78 -1.336 5.745 4.703 1.00 34.31 C ATOM 0 H VAL A 78 0.336 8.348 4.411 1.00 3.34 H new ATOM 0 HA VAL A 78 1.436 5.626 4.576 1.00 13.34 H new ATOM 0 HB VAL A 78 -0.830 6.765 2.873 1.00 31.32 H new ATOM 0 HG11 VAL A 78 -1.379 4.411 2.316 1.00 44.45 H new ATOM 0 HG12 VAL A 78 0.236 4.878 1.729 1.00 44.45 H new ATOM 0 HG13 VAL A 78 0.076 3.874 3.190 1.00 44.45 H new ATOM 0 HG21 VAL A 78 -2.324 5.434 4.363 1.00 34.31 H new ATOM 0 HG22 VAL A 78 -0.913 4.971 5.343 1.00 34.31 H new ATOM 0 HG23 VAL A 78 -1.422 6.674 5.266 1.00 34.31 H new ATOM 1344 N PHE A 79 2.670 5.561 2.410 1.00 42.23 N ATOM 1345 CA PHE A 79 3.410 5.437 1.159 1.00 42.14 C ATOM 1346 C PHE A 79 2.692 4.367 0.325 1.00 1.53 C ATOM 1347 O PHE A 79 2.605 3.207 0.748 1.00 31.53 O ATOM 1348 CB PHE A 79 4.864 5.021 1.453 1.00 44.23 C ATOM 1349 CG PHE A 79 5.636 6.032 2.299 1.00 71.12 C ATOM 1350 CD1 PHE A 79 5.592 5.993 3.695 1.00 53.22 C ATOM 1351 CD2 PHE A 79 6.393 7.024 1.697 1.00 24.21 C ATOM 1352 CE1 PHE A 79 6.284 6.915 4.448 1.00 5.34 C ATOM 1353 CE2 PHE A 79 7.079 7.947 2.450 1.00 14.02 C ATOM 1354 CZ PHE A 79 7.030 7.890 3.826 1.00 44.23 C ATOM 0 H PHE A 79 2.786 4.758 3.028 1.00 42.23 H new ATOM 0 HA PHE A 79 3.444 6.382 0.618 1.00 42.14 H new ATOM 0 HB2 PHE A 79 4.860 4.060 1.966 1.00 44.23 H new ATOM 0 HB3 PHE A 79 5.389 4.876 0.509 1.00 44.23 H new ATOM 0 HD1 PHE A 79 5.008 5.231 4.189 1.00 53.22 H new ATOM 0 HD2 PHE A 79 6.445 7.073 0.619 1.00 24.21 H new ATOM 0 HE1 PHE A 79 6.241 6.873 5.526 1.00 5.34 H new ATOM 0 HE2 PHE A 79 7.657 8.718 1.963 1.00 14.02 H new ATOM 0 HZ PHE A 79 7.577 8.610 4.416 1.00 44.23 H new ATOM 1364 N LEU A 80 2.150 4.765 -0.829 1.00 34.11 N ATOM 1365 CA LEU A 80 1.309 3.896 -1.667 1.00 21.14 C ATOM 1366 C LEU A 80 2.093 3.412 -2.892 1.00 55.43 C ATOM 1367 O LEU A 80 2.680 4.214 -3.610 1.00 3.14 O ATOM 1368 CB LEU A 80 0.036 4.664 -2.106 1.00 22.15 C ATOM 1369 CG LEU A 80 -0.899 3.935 -3.135 1.00 71.33 C ATOM 1370 CD1 LEU A 80 -1.469 2.631 -2.554 1.00 35.02 C ATOM 1371 CD2 LEU A 80 -2.026 4.860 -3.629 1.00 70.25 C ATOM 0 H LEU A 80 2.280 5.701 -1.212 1.00 34.11 H new ATOM 0 HA LEU A 80 1.012 3.023 -1.086 1.00 21.14 H new ATOM 0 HB2 LEU A 80 -0.549 4.893 -1.215 1.00 22.15 H new ATOM 0 HB3 LEU A 80 0.344 5.616 -2.539 1.00 22.15 H new ATOM 0 HG LEU A 80 -0.285 3.673 -3.997 1.00 71.33 H new ATOM 0 HD11 LEU A 80 -2.111 2.153 -3.294 1.00 35.02 H new ATOM 0 HD12 LEU A 80 -0.650 1.959 -2.296 1.00 35.02 H new ATOM 0 HD13 LEU A 80 -2.050 2.855 -1.659 1.00 35.02 H new ATOM 0 HD21 LEU A 80 -2.653 4.322 -4.340 1.00 70.25 H new ATOM 0 HD22 LEU A 80 -2.631 5.181 -2.781 1.00 70.25 H new ATOM 0 HD23 LEU A 80 -1.593 5.733 -4.116 1.00 70.25 H new ATOM 1383 N LEU A 81 2.092 2.095 -3.130 1.00 45.44 N ATOM 1384 CA LEU A 81 2.652 1.500 -4.342 1.00 21.52 C ATOM 1385 C LEU A 81 1.521 0.901 -5.170 1.00 41.15 C ATOM 1386 O LEU A 81 0.830 -0.005 -4.704 1.00 60.52 O ATOM 1387 CB LEU A 81 3.702 0.411 -4.009 1.00 5.11 C ATOM 1388 CG LEU A 81 4.434 -0.208 -5.246 1.00 5.14 C ATOM 1389 CD1 LEU A 81 5.070 0.895 -6.115 1.00 54.31 C ATOM 1390 CD2 LEU A 81 5.484 -1.244 -4.818 1.00 32.23 C ATOM 0 H LEU A 81 1.700 1.412 -2.482 1.00 45.44 H new ATOM 0 HA LEU A 81 3.159 2.281 -4.910 1.00 21.52 H new ATOM 0 HB2 LEU A 81 4.449 0.841 -3.342 1.00 5.11 H new ATOM 0 HB3 LEU A 81 3.209 -0.391 -3.460 1.00 5.11 H new ATOM 0 HG LEU A 81 3.687 -0.727 -5.847 1.00 5.14 H new ATOM 0 HD11 LEU A 81 5.573 0.441 -6.969 1.00 54.31 H new ATOM 0 HD12 LEU A 81 4.293 1.572 -6.470 1.00 54.31 H new ATOM 0 HD13 LEU A 81 5.794 1.453 -5.522 1.00 54.31 H new ATOM 0 HD21 LEU A 81 5.973 -1.653 -5.702 1.00 32.23 H new ATOM 0 HD22 LEU A 81 6.228 -0.766 -4.181 1.00 32.23 H new ATOM 0 HD23 LEU A 81 4.997 -2.049 -4.267 1.00 32.23 H new ATOM 1402 N LEU A 82 1.317 1.428 -6.378 1.00 11.04 N ATOM 1403 CA LEU A 82 0.367 0.875 -7.343 1.00 22.50 C ATOM 1404 C LEU A 82 1.142 0.135 -8.446 1.00 43.42 C ATOM 1405 O LEU A 82 1.977 0.735 -9.141 1.00 23.14 O ATOM 1406 CB LEU A 82 -0.511 2.007 -7.933 1.00 40.30 C ATOM 1407 CG LEU A 82 -1.472 2.727 -6.938 1.00 31.03 C ATOM 1408 CD1 LEU A 82 -2.233 3.877 -7.614 1.00 42.22 C ATOM 1409 CD2 LEU A 82 -2.457 1.732 -6.302 1.00 11.31 C ATOM 0 H LEU A 82 1.809 2.255 -6.716 1.00 11.04 H new ATOM 0 HA LEU A 82 -0.296 0.166 -6.848 1.00 22.50 H new ATOM 0 HB2 LEU A 82 0.147 2.755 -8.375 1.00 40.30 H new ATOM 0 HB3 LEU A 82 -1.108 1.589 -8.744 1.00 40.30 H new ATOM 0 HG LEU A 82 -0.854 3.155 -6.148 1.00 31.03 H new ATOM 0 HD11 LEU A 82 -2.892 4.353 -6.888 1.00 42.22 H new ATOM 0 HD12 LEU A 82 -1.522 4.610 -7.994 1.00 42.22 H new ATOM 0 HD13 LEU A 82 -2.826 3.485 -8.440 1.00 42.22 H new ATOM 0 HD21 LEU A 82 -3.115 2.261 -5.613 1.00 11.31 H new ATOM 0 HD22 LEU A 82 -3.053 1.261 -7.083 1.00 11.31 H new ATOM 0 HD23 LEU A 82 -1.902 0.967 -5.759 1.00 11.31 H new ATOM 1421 N GLN A 83 0.891 -1.176 -8.558 1.00 30.44 N ATOM 1422 CA GLN A 83 1.416 -2.027 -9.623 1.00 53.04 C ATOM 1423 C GLN A 83 0.242 -2.393 -10.523 1.00 43.20 C ATOM 1424 O GLN A 83 -0.688 -3.095 -10.096 1.00 53.21 O ATOM 1425 CB GLN A 83 2.110 -3.303 -9.042 1.00 21.22 C ATOM 1426 CG GLN A 83 2.911 -4.179 -10.060 1.00 20.15 C ATOM 1427 CD GLN A 83 2.062 -5.108 -10.950 1.00 44.44 C ATOM 1428 OE1 GLN A 83 0.991 -5.572 -10.550 1.00 21.13 O ATOM 1429 NE2 GLN A 83 2.546 -5.397 -12.154 1.00 45.04 N ATOM 0 H GLN A 83 0.304 -1.681 -7.894 1.00 30.44 H new ATOM 0 HA GLN A 83 2.181 -1.499 -10.192 1.00 53.04 H new ATOM 0 HB2 GLN A 83 2.790 -2.992 -8.249 1.00 21.22 H new ATOM 0 HB3 GLN A 83 1.346 -3.928 -8.580 1.00 21.22 H new ATOM 0 HG2 GLN A 83 3.490 -3.518 -10.704 1.00 20.15 H new ATOM 0 HG3 GLN A 83 3.624 -4.789 -9.505 1.00 20.15 H new ATOM 0 HE21 GLN A 83 3.435 -4.997 -12.456 1.00 45.04 H new ATOM 0 HE22 GLN A 83 2.029 -6.018 -12.776 1.00 45.04 H new ATOM 1438 N ASP A 84 0.286 -1.880 -11.740 1.00 20.25 N ATOM 1439 CA ASP A 84 -0.684 -2.190 -12.796 1.00 3.04 C ATOM 1440 C ASP A 84 0.062 -2.617 -14.055 1.00 31.42 C ATOM 1441 O ASP A 84 1.297 -2.582 -14.106 1.00 33.50 O ATOM 1442 CB ASP A 84 -1.616 -0.980 -13.084 1.00 11.35 C ATOM 1443 CG ASP A 84 -2.659 -0.745 -11.978 1.00 51.52 C ATOM 1444 OD1 ASP A 84 -3.717 -1.416 -11.995 1.00 72.21 O ATOM 1445 OD2 ASP A 84 -2.428 0.087 -11.075 1.00 52.44 O ATOM 0 H ASP A 84 1.008 -1.223 -12.036 1.00 20.25 H new ATOM 0 HA ASP A 84 -1.320 -3.009 -12.460 1.00 3.04 H new ATOM 0 HB2 ASP A 84 -1.010 -0.082 -13.200 1.00 11.35 H new ATOM 0 HB3 ASP A 84 -2.130 -1.142 -14.031 1.00 11.35 H new ATOM 1450 N GLN A 85 -0.698 -3.033 -15.072 1.00 44.42 N ATOM 1451 CA GLN A 85 -0.142 -3.503 -16.349 1.00 63.31 C ATOM 1452 C GLN A 85 -0.201 -2.373 -17.394 1.00 21.10 C ATOM 1453 O GLN A 85 0.655 -2.294 -18.279 1.00 13.23 O ATOM 1454 CB GLN A 85 -0.917 -4.758 -16.831 1.00 50.32 C ATOM 1455 CG GLN A 85 -0.973 -5.906 -15.793 1.00 1.15 C ATOM 1456 CD GLN A 85 -1.647 -7.181 -16.313 1.00 43.30 C ATOM 1457 OE1 GLN A 85 -1.586 -7.495 -17.505 1.00 51.12 O ATOM 1458 NE2 GLN A 85 -2.293 -7.926 -15.426 1.00 35.23 N ATOM 0 H GLN A 85 -1.717 -3.054 -15.035 1.00 44.42 H new ATOM 0 HA GLN A 85 0.903 -3.782 -16.212 1.00 63.31 H new ATOM 0 HB2 GLN A 85 -1.935 -4.466 -17.089 1.00 50.32 H new ATOM 0 HB3 GLN A 85 -0.452 -5.131 -17.744 1.00 50.32 H new ATOM 0 HG2 GLN A 85 0.042 -6.146 -15.477 1.00 1.15 H new ATOM 0 HG3 GLN A 85 -1.508 -5.558 -14.910 1.00 1.15 H new ATOM 0 HE21 GLN A 85 -2.326 -7.640 -14.447 1.00 35.23 H new ATOM 0 HE22 GLN A 85 -2.757 -8.785 -15.722 1.00 35.23 H new ATOM 1467 N ASP A 86 -1.216 -1.487 -17.276 1.00 53.14 N ATOM 1468 CA ASP A 86 -1.363 -0.301 -18.145 1.00 3.44 C ATOM 1469 C ASP A 86 -0.990 0.952 -17.351 1.00 1.33 C ATOM 1470 O ASP A 86 -1.546 1.189 -16.279 1.00 75.52 O ATOM 1471 CB ASP A 86 -2.806 -0.181 -18.699 1.00 22.31 C ATOM 1472 CG ASP A 86 -2.964 1.001 -19.664 1.00 1.03 C ATOM 1473 OD1 ASP A 86 -2.607 0.869 -20.848 1.00 4.22 O ATOM 1474 OD2 ASP A 86 -3.406 2.077 -19.233 1.00 52.44 O ATOM 0 H ASP A 86 -1.954 -1.575 -16.577 1.00 53.14 H new ATOM 0 HA ASP A 86 -0.694 -0.408 -18.999 1.00 3.44 H new ATOM 0 HB2 ASP A 86 -3.073 -1.104 -19.213 1.00 22.31 H new ATOM 0 HB3 ASP A 86 -3.503 -0.065 -17.869 1.00 22.31 H new ATOM 1479 N GLU A 87 -0.074 1.761 -17.910 1.00 2.13 N ATOM 1480 CA GLU A 87 0.468 2.956 -17.237 1.00 61.25 C ATOM 1481 C GLU A 87 -0.504 4.148 -17.255 1.00 34.14 C ATOM 1482 O GLU A 87 -0.402 5.013 -16.386 1.00 14.31 O ATOM 1483 CB GLU A 87 1.820 3.369 -17.860 1.00 60.42 C ATOM 1484 CG GLU A 87 2.968 2.380 -17.587 1.00 62.40 C ATOM 1485 CD GLU A 87 4.316 2.873 -18.133 1.00 24.23 C ATOM 1486 OE1 GLU A 87 4.966 3.700 -17.454 1.00 12.10 O ATOM 1487 OE2 GLU A 87 4.707 2.472 -19.251 1.00 24.12 O ATOM 0 H GLU A 87 0.312 1.606 -18.841 1.00 2.13 H new ATOM 0 HA GLU A 87 0.617 2.678 -16.194 1.00 61.25 H new ATOM 0 HB2 GLU A 87 1.694 3.474 -18.938 1.00 60.42 H new ATOM 0 HB3 GLU A 87 2.101 4.349 -17.475 1.00 60.42 H new ATOM 0 HG2 GLU A 87 3.054 2.216 -16.513 1.00 62.40 H new ATOM 0 HG3 GLU A 87 2.728 1.417 -18.038 1.00 62.40 H new ATOM 1494 N ASN A 88 -1.426 4.196 -18.237 1.00 43.04 N ATOM 1495 CA ASN A 88 -2.385 5.323 -18.376 1.00 73.20 C ATOM 1496 C ASN A 88 -3.410 5.288 -17.226 1.00 31.21 C ATOM 1497 O ASN A 88 -3.712 6.319 -16.621 1.00 31.44 O ATOM 1498 CB ASN A 88 -3.132 5.275 -19.735 1.00 64.34 C ATOM 1499 CG ASN A 88 -2.193 5.166 -20.931 1.00 30.02 C ATOM 1500 OD1 ASN A 88 -1.734 6.166 -21.468 1.00 51.32 O ATOM 1501 ND2 ASN A 88 -1.897 3.946 -21.349 1.00 70.20 N ATOM 0 H ASN A 88 -1.531 3.471 -18.947 1.00 43.04 H new ATOM 0 HA ASN A 88 -1.813 6.250 -18.335 1.00 73.20 H new ATOM 0 HB2 ASN A 88 -3.814 4.425 -19.738 1.00 64.34 H new ATOM 0 HB3 ASN A 88 -3.741 6.173 -19.840 1.00 64.34 H new ATOM 0 HD21 ASN A 88 -1.268 3.817 -22.142 1.00 70.20 H new ATOM 0 HD22 ASN A 88 -2.297 3.134 -20.878 1.00 70.20 H new ATOM 1508 N GLU A 89 -3.903 4.065 -16.931 1.00 54.20 N ATOM 1509 CA GLU A 89 -4.917 3.805 -15.884 1.00 3.02 C ATOM 1510 C GLU A 89 -4.249 3.787 -14.504 1.00 71.31 C ATOM 1511 O GLU A 89 -4.840 4.230 -13.507 1.00 70.14 O ATOM 1512 CB GLU A 89 -5.643 2.463 -16.174 1.00 13.32 C ATOM 1513 CG GLU A 89 -6.351 2.438 -17.542 1.00 3.22 C ATOM 1514 CD GLU A 89 -7.079 1.122 -17.842 1.00 62.03 C ATOM 1515 OE1 GLU A 89 -8.045 0.792 -17.125 1.00 54.43 O ATOM 1516 OE2 GLU A 89 -6.706 0.417 -18.804 1.00 43.11 O ATOM 0 H GLU A 89 -3.605 3.220 -17.419 1.00 54.20 H new ATOM 0 HA GLU A 89 -5.660 4.602 -15.891 1.00 3.02 H new ATOM 0 HB2 GLU A 89 -4.919 1.649 -16.132 1.00 13.32 H new ATOM 0 HB3 GLU A 89 -6.376 2.277 -15.389 1.00 13.32 H new ATOM 0 HG2 GLU A 89 -7.070 3.257 -17.583 1.00 3.22 H new ATOM 0 HG3 GLU A 89 -5.615 2.621 -18.324 1.00 3.22 H new ATOM 1523 N LEU A 90 -3.009 3.270 -14.483 1.00 52.30 N ATOM 1524 CA LEU A 90 -2.107 3.320 -13.320 1.00 23.02 C ATOM 1525 C LEU A 90 -1.938 4.768 -12.835 1.00 35.12 C ATOM 1526 O LEU A 90 -2.151 5.047 -11.661 1.00 51.14 O ATOM 1527 CB LEU A 90 -0.746 2.693 -13.730 1.00 73.24 C ATOM 1528 CG LEU A 90 0.457 2.763 -12.738 1.00 53.42 C ATOM 1529 CD1 LEU A 90 0.067 2.308 -11.330 1.00 50.51 C ATOM 1530 CD2 LEU A 90 1.644 1.926 -13.272 1.00 3.31 C ATOM 0 H LEU A 90 -2.598 2.797 -15.288 1.00 52.30 H new ATOM 0 HA LEU A 90 -2.527 2.752 -12.490 1.00 23.02 H new ATOM 0 HB2 LEU A 90 -0.924 1.641 -13.955 1.00 73.24 H new ATOM 0 HB3 LEU A 90 -0.433 3.169 -14.659 1.00 73.24 H new ATOM 0 HG LEU A 90 0.763 3.807 -12.666 1.00 53.42 H new ATOM 0 HD11 LEU A 90 0.934 2.373 -10.673 1.00 50.51 H new ATOM 0 HD12 LEU A 90 -0.727 2.949 -10.947 1.00 50.51 H new ATOM 0 HD13 LEU A 90 -0.285 1.277 -11.365 1.00 50.51 H new ATOM 0 HD21 LEU A 90 2.475 1.984 -12.570 1.00 3.31 H new ATOM 0 HD22 LEU A 90 1.335 0.887 -13.383 1.00 3.31 H new ATOM 0 HD23 LEU A 90 1.958 2.317 -14.240 1.00 3.31 H new ATOM 1542 N GLU A 91 -1.604 5.676 -13.770 1.00 53.32 N ATOM 1543 CA GLU A 91 -1.374 7.101 -13.475 1.00 24.42 C ATOM 1544 C GLU A 91 -2.698 7.826 -13.153 1.00 15.23 C ATOM 1545 O GLU A 91 -2.728 8.664 -12.260 1.00 41.52 O ATOM 1546 CB GLU A 91 -0.655 7.790 -14.661 1.00 73.24 C ATOM 1547 CG GLU A 91 -0.313 9.285 -14.443 1.00 51.33 C ATOM 1548 CD GLU A 91 0.646 9.536 -13.256 1.00 72.12 C ATOM 1549 OE1 GLU A 91 1.873 9.425 -13.445 1.00 72.45 O ATOM 1550 OE2 GLU A 91 0.184 9.848 -12.135 1.00 53.31 O ATOM 0 H GLU A 91 -1.486 5.440 -14.755 1.00 53.32 H new ATOM 0 HA GLU A 91 -0.735 7.162 -12.594 1.00 24.42 H new ATOM 0 HB2 GLU A 91 0.268 7.249 -14.870 1.00 73.24 H new ATOM 0 HB3 GLU A 91 -1.284 7.703 -15.547 1.00 73.24 H new ATOM 0 HG2 GLU A 91 0.137 9.682 -15.353 1.00 51.33 H new ATOM 0 HG3 GLU A 91 -1.237 9.839 -14.276 1.00 51.33 H new ATOM 1557 N GLU A 92 -3.777 7.486 -13.895 1.00 31.41 N ATOM 1558 CA GLU A 92 -5.125 8.091 -13.738 1.00 75.42 C ATOM 1559 C GLU A 92 -5.609 7.979 -12.280 1.00 63.30 C ATOM 1560 O GLU A 92 -6.075 8.955 -11.692 1.00 45.21 O ATOM 1561 CB GLU A 92 -6.136 7.391 -14.716 1.00 61.32 C ATOM 1562 CG GLU A 92 -7.190 8.313 -15.376 1.00 4.32 C ATOM 1563 CD GLU A 92 -8.252 8.880 -14.411 1.00 63.53 C ATOM 1564 OE1 GLU A 92 -9.263 8.193 -14.146 1.00 24.42 O ATOM 1565 OE2 GLU A 92 -8.080 10.011 -13.912 1.00 11.40 O ATOM 0 H GLU A 92 -3.739 6.777 -14.627 1.00 31.41 H new ATOM 0 HA GLU A 92 -5.067 9.150 -13.988 1.00 75.42 H new ATOM 0 HB2 GLU A 92 -5.567 6.900 -15.505 1.00 61.32 H new ATOM 0 HB3 GLU A 92 -6.660 6.609 -14.167 1.00 61.32 H new ATOM 0 HG2 GLU A 92 -6.674 9.145 -15.855 1.00 4.32 H new ATOM 0 HG3 GLU A 92 -7.697 7.756 -16.164 1.00 4.32 H new ATOM 1572 N PHE A 93 -5.451 6.775 -11.718 1.00 61.22 N ATOM 1573 CA PHE A 93 -5.888 6.440 -10.350 1.00 42.51 C ATOM 1574 C PHE A 93 -4.853 6.922 -9.304 1.00 1.33 C ATOM 1575 O PHE A 93 -5.228 7.352 -8.205 1.00 15.10 O ATOM 1576 CB PHE A 93 -6.114 4.905 -10.275 1.00 61.54 C ATOM 1577 CG PHE A 93 -6.697 4.376 -8.962 1.00 52.55 C ATOM 1578 CD1 PHE A 93 -7.992 4.722 -8.570 1.00 63.00 C ATOM 1579 CD2 PHE A 93 -5.963 3.519 -8.136 1.00 50.33 C ATOM 1580 CE1 PHE A 93 -8.529 4.231 -7.398 1.00 62.43 C ATOM 1581 CE2 PHE A 93 -6.501 3.033 -6.964 1.00 12.13 C ATOM 1582 CZ PHE A 93 -7.784 3.387 -6.595 1.00 15.52 C ATOM 0 H PHE A 93 -5.011 5.993 -12.203 1.00 61.22 H new ATOM 0 HA PHE A 93 -6.822 6.952 -10.118 1.00 42.51 H new ATOM 0 HB2 PHE A 93 -6.780 4.616 -11.088 1.00 61.54 H new ATOM 0 HB3 PHE A 93 -5.160 4.408 -10.452 1.00 61.54 H new ATOM 0 HD1 PHE A 93 -8.580 5.381 -9.191 1.00 63.00 H new ATOM 0 HD2 PHE A 93 -4.961 3.234 -8.420 1.00 50.33 H new ATOM 0 HE1 PHE A 93 -9.532 4.506 -7.107 1.00 62.43 H new ATOM 0 HE2 PHE A 93 -5.920 2.376 -6.334 1.00 12.13 H new ATOM 0 HZ PHE A 93 -8.206 3.004 -5.678 1.00 15.52 H new ATOM 1592 N LYS A 94 -3.559 6.855 -9.677 1.00 54.52 N ATOM 1593 CA LYS A 94 -2.422 7.275 -8.826 1.00 5.11 C ATOM 1594 C LYS A 94 -2.513 8.760 -8.456 1.00 70.22 C ATOM 1595 O LYS A 94 -2.479 9.112 -7.280 1.00 22.45 O ATOM 1596 CB LYS A 94 -1.086 6.971 -9.569 1.00 12.12 C ATOM 1597 CG LYS A 94 0.156 7.755 -9.098 1.00 50.23 C ATOM 1598 CD LYS A 94 1.439 7.310 -9.823 1.00 25.42 C ATOM 1599 CE LYS A 94 2.618 8.260 -9.579 1.00 44.33 C ATOM 1600 NZ LYS A 94 2.341 9.619 -10.111 1.00 10.03 N ATOM 0 H LYS A 94 -3.268 6.503 -10.589 1.00 54.52 H new ATOM 0 HA LYS A 94 -2.457 6.711 -7.894 1.00 5.11 H new ATOM 0 HB2 LYS A 94 -0.875 5.906 -9.470 1.00 12.12 H new ATOM 0 HB3 LYS A 94 -1.233 7.170 -10.631 1.00 12.12 H new ATOM 0 HG2 LYS A 94 -0.004 8.820 -9.268 1.00 50.23 H new ATOM 0 HG3 LYS A 94 0.283 7.619 -8.024 1.00 50.23 H new ATOM 0 HD2 LYS A 94 1.710 6.308 -9.490 1.00 25.42 H new ATOM 0 HD3 LYS A 94 1.243 7.248 -10.894 1.00 25.42 H new ATOM 0 HE2 LYS A 94 2.822 8.321 -8.510 1.00 44.33 H new ATOM 0 HE3 LYS A 94 3.514 7.859 -10.052 1.00 44.33 H new ATOM 0 HZ1 LYS A 94 3.191 9.986 -10.585 1.00 10.03 H new ATOM 0 HZ2 LYS A 94 1.557 9.572 -10.793 1.00 10.03 H new ATOM 0 HZ3 LYS A 94 2.081 10.252 -9.328 1.00 10.03 H new ATOM 1614 N ARG A 95 -2.663 9.602 -9.484 1.00 72.05 N ATOM 1615 CA ARG A 95 -2.571 11.071 -9.373 1.00 54.33 C ATOM 1616 C ARG A 95 -3.673 11.664 -8.472 1.00 32.31 C ATOM 1617 O ARG A 95 -3.492 12.743 -7.905 1.00 2.24 O ATOM 1618 CB ARG A 95 -2.614 11.697 -10.788 1.00 70.12 C ATOM 1619 CG ARG A 95 -3.954 11.519 -11.530 1.00 71.42 C ATOM 1620 CD ARG A 95 -3.856 11.875 -13.022 1.00 63.10 C ATOM 1621 NE ARG A 95 -3.271 13.210 -13.246 1.00 31.35 N ATOM 1622 CZ ARG A 95 -3.937 14.374 -13.209 1.00 42.01 C ATOM 1623 NH1 ARG A 95 -5.239 14.414 -12.929 1.00 31.44 N ATOM 1624 NH2 ARG A 95 -3.276 15.494 -13.428 1.00 73.43 N ATOM 0 H ARG A 95 -2.855 9.282 -10.433 1.00 72.05 H new ATOM 0 HA ARG A 95 -1.622 11.314 -8.895 1.00 54.33 H new ATOM 0 HB2 ARG A 95 -2.398 12.762 -10.706 1.00 70.12 H new ATOM 0 HB3 ARG A 95 -1.819 11.256 -11.390 1.00 70.12 H new ATOM 0 HG2 ARG A 95 -4.287 10.486 -11.428 1.00 71.42 H new ATOM 0 HG3 ARG A 95 -4.711 12.146 -11.060 1.00 71.42 H new ATOM 0 HD2 ARG A 95 -3.250 11.126 -13.532 1.00 63.10 H new ATOM 0 HD3 ARG A 95 -4.850 11.838 -13.467 1.00 63.10 H new ATOM 0 HE ARG A 95 -2.272 13.252 -13.447 1.00 31.35 H new ATOM 0 HH11 ARG A 95 -5.746 13.550 -12.738 1.00 31.44 H new ATOM 0 HH12 ARG A 95 -5.728 15.309 -12.905 1.00 31.44 H new ATOM 0 HH21 ARG A 95 -2.275 15.466 -13.622 1.00 73.43 H new ATOM 0 HH22 ARG A 95 -3.766 16.388 -13.404 1.00 73.43 H new ATOM 1638 N LYS A 96 -4.801 10.928 -8.346 1.00 71.55 N ATOM 1639 CA LYS A 96 -5.932 11.295 -7.467 1.00 71.55 C ATOM 1640 C LYS A 96 -5.475 11.291 -5.997 1.00 2.50 C ATOM 1641 O LYS A 96 -5.677 12.253 -5.248 1.00 23.20 O ATOM 1642 CB LYS A 96 -7.100 10.278 -7.637 1.00 52.31 C ATOM 1643 CG LYS A 96 -7.584 10.070 -9.085 1.00 42.53 C ATOM 1644 CD LYS A 96 -8.753 9.057 -9.170 1.00 0.24 C ATOM 1645 CE LYS A 96 -9.145 8.706 -10.614 1.00 3.13 C ATOM 1646 NZ LYS A 96 -9.525 9.902 -11.409 1.00 45.30 N ATOM 0 H LYS A 96 -4.952 10.057 -8.855 1.00 71.55 H new ATOM 0 HA LYS A 96 -6.276 12.291 -7.744 1.00 71.55 H new ATOM 0 HB2 LYS A 96 -6.784 9.316 -7.235 1.00 52.31 H new ATOM 0 HB3 LYS A 96 -7.943 10.614 -7.034 1.00 52.31 H new ATOM 0 HG2 LYS A 96 -7.902 11.026 -9.501 1.00 42.53 H new ATOM 0 HG3 LYS A 96 -6.754 9.717 -9.697 1.00 42.53 H new ATOM 0 HD2 LYS A 96 -8.473 8.144 -8.644 1.00 0.24 H new ATOM 0 HD3 LYS A 96 -9.621 9.469 -8.655 1.00 0.24 H new ATOM 0 HE2 LYS A 96 -8.311 8.201 -11.101 1.00 3.13 H new ATOM 0 HE3 LYS A 96 -9.978 8.004 -10.600 1.00 3.13 H new ATOM 0 HZ1 LYS A 96 -10.459 9.750 -11.840 1.00 45.30 H new ATOM 0 HZ2 LYS A 96 -9.562 10.735 -10.787 1.00 45.30 H new ATOM 0 HZ3 LYS A 96 -8.820 10.060 -12.157 1.00 45.30 H new ATOM 1660 N ILE A 97 -4.823 10.182 -5.646 1.00 31.14 N ATOM 1661 CA ILE A 97 -4.432 9.834 -4.272 1.00 32.41 C ATOM 1662 C ILE A 97 -3.115 10.539 -3.890 1.00 14.13 C ATOM 1663 O ILE A 97 -2.907 10.931 -2.737 1.00 22.52 O ATOM 1664 CB ILE A 97 -4.271 8.275 -4.175 1.00 75.11 C ATOM 1665 CG1 ILE A 97 -5.566 7.561 -4.699 1.00 40.15 C ATOM 1666 CG2 ILE A 97 -3.932 7.835 -2.733 1.00 0.12 C ATOM 1667 CD1 ILE A 97 -5.421 6.068 -4.928 1.00 1.12 C ATOM 0 H ILE A 97 -4.542 9.477 -6.328 1.00 31.14 H new ATOM 0 HA ILE A 97 -5.202 10.167 -3.576 1.00 32.41 H new ATOM 0 HB ILE A 97 -3.436 7.977 -4.809 1.00 75.11 H new ATOM 0 HG12 ILE A 97 -6.371 7.728 -3.983 1.00 40.15 H new ATOM 0 HG13 ILE A 97 -5.869 8.030 -5.635 1.00 40.15 H new ATOM 0 HG21 ILE A 97 -3.827 6.751 -2.699 1.00 0.12 H new ATOM 0 HG22 ILE A 97 -2.997 8.300 -2.421 1.00 0.12 H new ATOM 0 HG23 ILE A 97 -4.733 8.143 -2.061 1.00 0.12 H new ATOM 0 HD11 ILE A 97 -6.366 5.662 -5.289 1.00 1.12 H new ATOM 0 HD12 ILE A 97 -4.642 5.887 -5.668 1.00 1.12 H new ATOM 0 HD13 ILE A 97 -5.151 5.581 -3.991 1.00 1.12 H new ATOM 1679 N GLU A 98 -2.249 10.712 -4.898 1.00 75.23 N ATOM 1680 CA GLU A 98 -0.942 11.371 -4.760 1.00 30.45 C ATOM 1681 C GLU A 98 -1.169 12.860 -4.430 1.00 13.12 C ATOM 1682 O GLU A 98 -0.455 13.450 -3.606 1.00 41.33 O ATOM 1683 CB GLU A 98 -0.129 11.155 -6.079 1.00 12.10 C ATOM 1684 CG GLU A 98 1.387 11.491 -6.017 1.00 54.22 C ATOM 1685 CD GLU A 98 1.707 12.998 -6.048 1.00 71.55 C ATOM 1686 OE1 GLU A 98 1.402 13.652 -7.063 1.00 35.41 O ATOM 1687 OE2 GLU A 98 2.232 13.544 -5.056 1.00 42.52 O ATOM 0 H GLU A 98 -2.440 10.393 -5.848 1.00 75.23 H new ATOM 0 HA GLU A 98 -0.359 10.943 -3.944 1.00 30.45 H new ATOM 0 HB2 GLU A 98 -0.236 10.113 -6.380 1.00 12.10 H new ATOM 0 HB3 GLU A 98 -0.582 11.762 -6.863 1.00 12.10 H new ATOM 0 HG2 GLU A 98 1.805 11.062 -5.106 1.00 54.22 H new ATOM 0 HG3 GLU A 98 1.888 11.008 -6.856 1.00 54.22 H new ATOM 1694 N SER A 99 -2.231 13.430 -5.035 1.00 34.24 N ATOM 1695 CA SER A 99 -2.624 14.832 -4.828 1.00 71.24 C ATOM 1696 C SER A 99 -3.198 15.054 -3.411 1.00 12.22 C ATOM 1697 O SER A 99 -3.213 16.185 -2.918 1.00 72.33 O ATOM 1698 CB SER A 99 -3.642 15.273 -5.904 1.00 44.44 C ATOM 1699 OG SER A 99 -3.892 16.669 -5.833 1.00 14.40 O ATOM 0 H SER A 99 -2.839 12.927 -5.681 1.00 34.24 H new ATOM 0 HA SER A 99 -1.729 15.447 -4.922 1.00 71.24 H new ATOM 0 HB2 SER A 99 -3.262 15.019 -6.894 1.00 44.44 H new ATOM 0 HB3 SER A 99 -4.576 14.726 -5.771 1.00 44.44 H new ATOM 0 HG SER A 99 -4.538 16.921 -6.525 1.00 14.40 H new ATOM 1705 N GLN A 100 -3.661 13.960 -2.756 1.00 15.42 N ATOM 1706 CA GLN A 100 -4.165 14.000 -1.365 1.00 31.25 C ATOM 1707 C GLN A 100 -3.006 14.061 -0.336 1.00 60.52 C ATOM 1708 O GLN A 100 -3.254 14.171 0.873 1.00 75.21 O ATOM 1709 CB GLN A 100 -5.069 12.772 -1.059 1.00 73.22 C ATOM 1710 CG GLN A 100 -6.298 12.617 -1.972 1.00 14.42 C ATOM 1711 CD GLN A 100 -7.267 11.541 -1.464 1.00 65.13 C ATOM 1712 OE1 GLN A 100 -7.133 10.362 -1.789 1.00 51.41 O ATOM 1713 NE2 GLN A 100 -8.251 11.942 -0.670 1.00 64.43 N ATOM 0 H GLN A 100 -3.694 13.031 -3.177 1.00 15.42 H new ATOM 0 HA GLN A 100 -4.758 14.910 -1.272 1.00 31.25 H new ATOM 0 HB2 GLN A 100 -4.464 11.868 -1.135 1.00 73.22 H new ATOM 0 HB3 GLN A 100 -5.410 12.841 -0.026 1.00 73.22 H new ATOM 0 HG2 GLN A 100 -6.821 13.571 -2.040 1.00 14.42 H new ATOM 0 HG3 GLN A 100 -5.970 12.361 -2.979 1.00 14.42 H new ATOM 0 HE21 GLN A 100 -8.335 12.927 -0.419 1.00 64.43 H new ATOM 0 HE22 GLN A 100 -8.924 11.265 -0.310 1.00 64.43 H new ATOM 1722 N GLY A 101 -1.755 13.984 -0.823 1.00 11.31 N ATOM 1723 CA GLY A 101 -0.570 14.056 0.027 1.00 14.32 C ATOM 1724 C GLY A 101 -0.043 12.684 0.398 1.00 13.22 C ATOM 1725 O GLY A 101 0.367 12.453 1.541 1.00 44.24 O ATOM 0 H GLY A 101 -1.545 13.871 -1.815 1.00 11.31 H new ATOM 0 HA2 GLY A 101 0.211 14.615 -0.489 1.00 14.32 H new ATOM 0 HA3 GLY A 101 -0.810 14.608 0.936 1.00 14.32 H new ATOM 1729 N TYR A 102 -0.071 11.759 -0.575 1.00 65.10 N ATOM 1730 CA TYR A 102 0.503 10.408 -0.428 1.00 75.12 C ATOM 1731 C TYR A 102 1.632 10.218 -1.453 1.00 34.55 C ATOM 1732 O TYR A 102 1.497 10.613 -2.614 1.00 73.55 O ATOM 1733 CB TYR A 102 -0.592 9.320 -0.597 1.00 54.11 C ATOM 1734 CG TYR A 102 -1.677 9.346 0.502 1.00 24.32 C ATOM 1735 CD1 TYR A 102 -1.344 9.105 1.837 1.00 24.40 C ATOM 1736 CD2 TYR A 102 -3.020 9.606 0.210 1.00 23.51 C ATOM 1737 CE1 TYR A 102 -2.304 9.118 2.830 1.00 25.03 C ATOM 1738 CE2 TYR A 102 -3.984 9.620 1.200 1.00 54.31 C ATOM 1739 CZ TYR A 102 -3.621 9.374 2.509 1.00 22.51 C ATOM 1740 OH TYR A 102 -4.575 9.386 3.504 1.00 71.41 O ATOM 0 H TYR A 102 -0.493 11.926 -1.489 1.00 65.10 H new ATOM 0 HA TYR A 102 0.915 10.303 0.576 1.00 75.12 H new ATOM 0 HB2 TYR A 102 -1.070 9.448 -1.568 1.00 54.11 H new ATOM 0 HB3 TYR A 102 -0.117 8.339 -0.602 1.00 54.11 H new ATOM 0 HD1 TYR A 102 -0.315 8.904 2.098 1.00 24.40 H new ATOM 0 HD2 TYR A 102 -3.310 9.800 -0.812 1.00 23.51 H new ATOM 0 HE1 TYR A 102 -2.024 8.928 3.856 1.00 25.03 H new ATOM 0 HE2 TYR A 102 -5.015 9.822 0.951 1.00 54.31 H new ATOM 0 HH TYR A 102 -5.293 8.759 3.277 1.00 71.41 H new ATOM 1750 N GLU A 103 2.750 9.640 -0.999 1.00 33.23 N ATOM 1751 CA GLU A 103 3.905 9.336 -1.854 1.00 74.41 C ATOM 1752 C GLU A 103 3.605 8.053 -2.656 1.00 41.43 C ATOM 1753 O GLU A 103 3.642 6.946 -2.103 1.00 3.22 O ATOM 1754 CB GLU A 103 5.177 9.205 -0.963 1.00 72.20 C ATOM 1755 CG GLU A 103 6.437 8.633 -1.653 1.00 15.43 C ATOM 1756 CD GLU A 103 6.930 9.429 -2.876 1.00 5.03 C ATOM 1757 OE1 GLU A 103 7.728 10.374 -2.698 1.00 43.31 O ATOM 1758 OE2 GLU A 103 6.564 9.082 -4.019 1.00 24.41 O ATOM 0 H GLU A 103 2.880 9.369 -0.024 1.00 33.23 H new ATOM 0 HA GLU A 103 4.091 10.137 -2.570 1.00 74.41 H new ATOM 0 HB2 GLU A 103 5.421 10.191 -0.567 1.00 72.20 H new ATOM 0 HB3 GLU A 103 4.935 8.570 -0.111 1.00 72.20 H new ATOM 0 HG2 GLU A 103 7.243 8.585 -0.921 1.00 15.43 H new ATOM 0 HG3 GLU A 103 6.229 7.610 -1.965 1.00 15.43 H new ATOM 1765 N VAL A 104 3.257 8.220 -3.952 1.00 54.23 N ATOM 1766 CA VAL A 104 2.878 7.103 -4.837 1.00 41.25 C ATOM 1767 C VAL A 104 3.867 7.002 -6.014 1.00 2.15 C ATOM 1768 O VAL A 104 4.276 8.020 -6.574 1.00 63.41 O ATOM 1769 CB VAL A 104 1.410 7.257 -5.410 1.00 34.00 C ATOM 1770 CG1 VAL A 104 0.915 5.925 -6.032 1.00 60.21 C ATOM 1771 CG2 VAL A 104 0.416 7.761 -4.334 1.00 25.01 C ATOM 0 H VAL A 104 3.232 9.131 -4.410 1.00 54.23 H new ATOM 0 HA VAL A 104 2.910 6.196 -4.233 1.00 41.25 H new ATOM 0 HB VAL A 104 1.450 8.012 -6.195 1.00 34.00 H new ATOM 0 HG11 VAL A 104 -0.096 6.057 -6.418 1.00 60.21 H new ATOM 0 HG12 VAL A 104 1.579 5.634 -6.846 1.00 60.21 H new ATOM 0 HG13 VAL A 104 0.913 5.146 -5.270 1.00 60.21 H new ATOM 0 HG21 VAL A 104 -0.578 7.852 -4.771 1.00 25.01 H new ATOM 0 HG22 VAL A 104 0.385 7.052 -3.507 1.00 25.01 H new ATOM 0 HG23 VAL A 104 0.741 8.734 -3.966 1.00 25.01 H new ATOM 1781 N ARG A 105 4.232 5.766 -6.384 1.00 33.40 N ATOM 1782 CA ARG A 105 5.082 5.484 -7.556 1.00 5.51 C ATOM 1783 C ARG A 105 4.312 4.581 -8.541 1.00 44.20 C ATOM 1784 O ARG A 105 3.375 3.869 -8.148 1.00 72.11 O ATOM 1785 CB ARG A 105 6.397 4.794 -7.097 1.00 44.11 C ATOM 1786 CG ARG A 105 7.474 4.575 -8.194 1.00 55.41 C ATOM 1787 CD ARG A 105 8.126 5.884 -8.679 1.00 43.32 C ATOM 1788 NE ARG A 105 9.112 5.645 -9.757 1.00 44.03 N ATOM 1789 CZ ARG A 105 10.403 6.046 -9.748 1.00 71.21 C ATOM 1790 NH1 ARG A 105 10.914 6.712 -8.715 1.00 22.13 N ATOM 1791 NH2 ARG A 105 11.169 5.795 -10.796 1.00 55.54 N ATOM 0 H ARG A 105 3.946 4.928 -5.878 1.00 33.40 H new ATOM 0 HA ARG A 105 5.337 6.417 -8.058 1.00 5.51 H new ATOM 0 HB2 ARG A 105 6.837 5.392 -6.299 1.00 44.11 H new ATOM 0 HB3 ARG A 105 6.144 3.825 -6.667 1.00 44.11 H new ATOM 0 HG2 ARG A 105 8.249 3.914 -7.806 1.00 55.41 H new ATOM 0 HG3 ARG A 105 7.018 4.068 -9.044 1.00 55.41 H new ATOM 0 HD2 ARG A 105 7.353 6.563 -9.039 1.00 43.32 H new ATOM 0 HD3 ARG A 105 8.618 6.377 -7.840 1.00 43.32 H new ATOM 0 HE ARG A 105 8.789 5.133 -10.578 1.00 44.03 H new ATOM 0 HH11 ARG A 105 10.329 6.930 -7.909 1.00 22.13 H new ATOM 0 HH12 ARG A 105 11.891 7.005 -8.730 1.00 22.13 H new ATOM 0 HH21 ARG A 105 10.785 5.303 -11.602 1.00 55.54 H new ATOM 0 HH22 ARG A 105 12.144 6.094 -10.798 1.00 55.54 H new ATOM 1805 N LYS A 106 4.721 4.630 -9.813 1.00 35.44 N ATOM 1806 CA LYS A 106 4.246 3.712 -10.856 1.00 22.30 C ATOM 1807 C LYS A 106 5.227 2.542 -10.966 1.00 64.22 C ATOM 1808 O LYS A 106 6.447 2.739 -10.853 1.00 52.41 O ATOM 1809 CB LYS A 106 4.198 4.423 -12.231 1.00 72.22 C ATOM 1810 CG LYS A 106 3.148 5.535 -12.374 1.00 72.33 C ATOM 1811 CD LYS A 106 3.253 6.261 -13.736 1.00 3.12 C ATOM 1812 CE LYS A 106 3.119 5.312 -14.945 1.00 50.53 C ATOM 1813 NZ LYS A 106 3.413 5.992 -16.231 1.00 21.20 N ATOM 0 H LYS A 106 5.397 5.314 -10.152 1.00 35.44 H new ATOM 0 HA LYS A 106 3.246 3.369 -10.589 1.00 22.30 H new ATOM 0 HB2 LYS A 106 5.181 4.849 -12.432 1.00 72.22 H new ATOM 0 HB3 LYS A 106 4.012 3.673 -13.000 1.00 72.22 H new ATOM 0 HG2 LYS A 106 2.151 5.108 -12.267 1.00 72.33 H new ATOM 0 HG3 LYS A 106 3.273 6.258 -11.568 1.00 72.33 H new ATOM 0 HD2 LYS A 106 2.477 7.024 -13.794 1.00 3.12 H new ATOM 0 HD3 LYS A 106 4.212 6.777 -13.792 1.00 3.12 H new ATOM 0 HE2 LYS A 106 3.798 4.469 -14.819 1.00 50.53 H new ATOM 0 HE3 LYS A 106 2.108 4.905 -14.974 1.00 50.53 H new ATOM 0 HZ1 LYS A 106 3.943 5.347 -16.851 1.00 21.20 H new ATOM 0 HZ2 LYS A 106 2.521 6.262 -16.693 1.00 21.20 H new ATOM 0 HZ3 LYS A 106 3.981 6.844 -16.051 1.00 21.20 H new ATOM 1827 N VAL A 107 4.682 1.337 -11.187 1.00 33.33 N ATOM 1828 CA VAL A 107 5.484 0.142 -11.470 1.00 52.04 C ATOM 1829 C VAL A 107 4.663 -0.893 -12.261 1.00 73.10 C ATOM 1830 O VAL A 107 3.455 -1.046 -12.057 1.00 12.54 O ATOM 1831 CB VAL A 107 6.081 -0.493 -10.153 1.00 3.13 C ATOM 1832 CG1 VAL A 107 4.987 -0.972 -9.179 1.00 52.01 C ATOM 1833 CG2 VAL A 107 7.081 -1.626 -10.475 1.00 73.24 C ATOM 0 H VAL A 107 3.677 1.166 -11.174 1.00 33.33 H new ATOM 0 HA VAL A 107 6.327 0.454 -12.086 1.00 52.04 H new ATOM 0 HB VAL A 107 6.627 0.302 -9.645 1.00 3.13 H new ATOM 0 HG11 VAL A 107 5.452 -1.400 -8.291 1.00 52.01 H new ATOM 0 HG12 VAL A 107 4.362 -0.127 -8.890 1.00 52.01 H new ATOM 0 HG13 VAL A 107 4.372 -1.728 -9.666 1.00 52.01 H new ATOM 0 HG21 VAL A 107 7.473 -2.041 -9.546 1.00 73.24 H new ATOM 0 HG22 VAL A 107 6.574 -2.410 -11.037 1.00 73.24 H new ATOM 0 HG23 VAL A 107 7.903 -1.228 -11.069 1.00 73.24 H new ATOM 1843 N THR A 108 5.343 -1.558 -13.204 1.00 44.44 N ATOM 1844 CA THR A 108 4.785 -2.664 -14.004 1.00 61.03 C ATOM 1845 C THR A 108 5.662 -3.927 -13.844 1.00 21.41 C ATOM 1846 O THR A 108 5.164 -5.056 -13.925 1.00 4.43 O ATOM 1847 CB THR A 108 4.712 -2.269 -15.515 1.00 60.23 C ATOM 1848 OG1 THR A 108 6.018 -1.869 -15.957 1.00 24.23 O ATOM 1849 CG2 THR A 108 3.701 -1.124 -15.786 1.00 41.05 C ATOM 0 H THR A 108 6.312 -1.342 -13.439 1.00 44.44 H new ATOM 0 HA THR A 108 3.777 -2.872 -13.645 1.00 61.03 H new ATOM 0 HB THR A 108 4.364 -3.142 -16.068 1.00 60.23 H new ATOM 0 HG1 THR A 108 5.981 -1.621 -16.904 1.00 24.23 H new ATOM 0 HG21 THR A 108 3.692 -0.891 -16.851 1.00 41.05 H new ATOM 0 HG22 THR A 108 2.705 -1.437 -15.474 1.00 41.05 H new ATOM 0 HG23 THR A 108 3.995 -0.238 -15.223 1.00 41.05 H new ATOM 1857 N ASP A 109 6.975 -3.711 -13.607 1.00 20.33 N ATOM 1858 CA ASP A 109 7.977 -4.795 -13.506 1.00 45.24 C ATOM 1859 C ASP A 109 7.931 -5.419 -12.108 1.00 53.34 C ATOM 1860 O ASP A 109 7.749 -4.703 -11.117 1.00 41.13 O ATOM 1861 CB ASP A 109 9.399 -4.245 -13.768 1.00 12.21 C ATOM 1862 CG ASP A 109 9.563 -3.550 -15.127 1.00 63.41 C ATOM 1863 OD1 ASP A 109 9.269 -2.336 -15.226 1.00 2.43 O ATOM 1864 OD2 ASP A 109 9.984 -4.206 -16.103 1.00 3.23 O ATOM 0 H ASP A 109 7.370 -2.779 -13.480 1.00 20.33 H new ATOM 0 HA ASP A 109 7.742 -5.551 -14.255 1.00 45.24 H new ATOM 0 HB2 ASP A 109 9.655 -3.539 -12.978 1.00 12.21 H new ATOM 0 HB3 ASP A 109 10.112 -5.067 -13.704 1.00 12.21 H new ATOM 1869 N ASP A 110 8.126 -6.742 -12.030 1.00 70.41 N ATOM 1870 CA ASP A 110 8.048 -7.481 -10.760 1.00 22.31 C ATOM 1871 C ASP A 110 9.291 -7.228 -9.878 1.00 12.24 C ATOM 1872 O ASP A 110 9.177 -7.181 -8.645 1.00 1.20 O ATOM 1873 CB ASP A 110 7.847 -9.001 -11.019 1.00 52.14 C ATOM 1874 CG ASP A 110 9.079 -9.709 -11.610 1.00 64.14 C ATOM 1875 OD1 ASP A 110 9.373 -9.522 -12.806 1.00 12.10 O ATOM 1876 OD2 ASP A 110 9.761 -10.450 -10.872 1.00 1.03 O ATOM 0 H ASP A 110 8.341 -7.327 -12.837 1.00 70.41 H new ATOM 0 HA ASP A 110 7.181 -7.110 -10.214 1.00 22.31 H new ATOM 0 HB2 ASP A 110 7.579 -9.486 -10.080 1.00 52.14 H new ATOM 0 HB3 ASP A 110 7.005 -9.134 -11.698 1.00 52.14 H new ATOM 1881 N GLU A 111 10.473 -7.074 -10.523 1.00 22.42 N ATOM 1882 CA GLU A 111 11.742 -6.779 -9.822 1.00 10.10 C ATOM 1883 C GLU A 111 11.696 -5.365 -9.240 1.00 61.34 C ATOM 1884 O GLU A 111 11.959 -5.171 -8.047 1.00 53.22 O ATOM 1885 CB GLU A 111 12.965 -6.925 -10.769 1.00 61.03 C ATOM 1886 CG GLU A 111 13.168 -8.347 -11.317 1.00 1.14 C ATOM 1887 CD GLU A 111 14.476 -8.500 -12.111 1.00 11.12 C ATOM 1888 OE1 GLU A 111 14.483 -8.235 -13.331 1.00 22.22 O ATOM 1889 OE2 GLU A 111 15.516 -8.846 -11.503 1.00 53.22 O ATOM 0 H GLU A 111 10.571 -7.150 -11.535 1.00 22.42 H new ATOM 0 HA GLU A 111 11.857 -7.503 -9.015 1.00 10.10 H new ATOM 0 HB2 GLU A 111 12.846 -6.238 -11.607 1.00 61.03 H new ATOM 0 HB3 GLU A 111 13.864 -6.622 -10.233 1.00 61.03 H new ATOM 0 HG2 GLU A 111 13.167 -9.054 -10.488 1.00 1.14 H new ATOM 0 HG3 GLU A 111 12.326 -8.607 -11.959 1.00 1.14 H new ATOM 1896 N GLU A 112 11.311 -4.397 -10.096 1.00 65.44 N ATOM 1897 CA GLU A 112 11.192 -2.982 -9.716 1.00 53.14 C ATOM 1898 C GLU A 112 10.195 -2.809 -8.558 1.00 31.31 C ATOM 1899 O GLU A 112 10.448 -2.026 -7.664 1.00 62.13 O ATOM 1900 CB GLU A 112 10.754 -2.118 -10.923 1.00 3.14 C ATOM 1901 CG GLU A 112 11.738 -2.099 -12.116 1.00 64.04 C ATOM 1902 CD GLU A 112 13.157 -1.629 -11.753 1.00 10.13 C ATOM 1903 OE1 GLU A 112 13.376 -0.411 -11.640 1.00 11.14 O ATOM 1904 OE2 GLU A 112 14.056 -2.481 -11.575 1.00 21.21 O ATOM 0 H GLU A 112 11.074 -4.579 -11.071 1.00 65.44 H new ATOM 0 HA GLU A 112 12.175 -2.645 -9.386 1.00 53.14 H new ATOM 0 HB2 GLU A 112 9.788 -2.480 -11.276 1.00 3.14 H new ATOM 0 HB3 GLU A 112 10.605 -1.094 -10.580 1.00 3.14 H new ATOM 0 HG2 GLU A 112 11.796 -3.101 -12.541 1.00 64.04 H new ATOM 0 HG3 GLU A 112 11.338 -1.447 -12.892 1.00 64.04 H new ATOM 1911 N ALA A 113 9.088 -3.578 -8.590 1.00 31.43 N ATOM 1912 CA ALA A 113 8.046 -3.573 -7.534 1.00 3.55 C ATOM 1913 C ALA A 113 8.659 -3.821 -6.149 1.00 14.44 C ATOM 1914 O ALA A 113 8.478 -3.006 -5.245 1.00 21.51 O ATOM 1915 CB ALA A 113 6.950 -4.607 -7.849 1.00 33.41 C ATOM 0 H ALA A 113 8.887 -4.225 -9.352 1.00 31.43 H new ATOM 0 HA ALA A 113 7.586 -2.585 -7.517 1.00 3.55 H new ATOM 0 HB1 ALA A 113 6.195 -4.588 -7.063 1.00 33.41 H new ATOM 0 HB2 ALA A 113 6.485 -4.365 -8.805 1.00 33.41 H new ATOM 0 HB3 ALA A 113 7.393 -5.602 -7.903 1.00 33.41 H new ATOM 1921 N LEU A 114 9.463 -4.902 -6.040 1.00 10.45 N ATOM 1922 CA LEU A 114 10.145 -5.294 -4.779 1.00 24.24 C ATOM 1923 C LEU A 114 11.088 -4.174 -4.290 1.00 12.24 C ATOM 1924 O LEU A 114 11.233 -3.947 -3.085 1.00 72.24 O ATOM 1925 CB LEU A 114 10.954 -6.608 -4.982 1.00 50.42 C ATOM 1926 CG LEU A 114 10.168 -7.823 -5.569 1.00 51.42 C ATOM 1927 CD1 LEU A 114 11.095 -9.028 -5.801 1.00 65.31 C ATOM 1928 CD2 LEU A 114 8.969 -8.213 -4.681 1.00 5.33 C ATOM 0 H LEU A 114 9.659 -5.529 -6.820 1.00 10.45 H new ATOM 0 HA LEU A 114 9.378 -5.460 -4.023 1.00 24.24 H new ATOM 0 HB2 LEU A 114 11.794 -6.393 -5.642 1.00 50.42 H new ATOM 0 HB3 LEU A 114 11.372 -6.904 -4.020 1.00 50.42 H new ATOM 0 HG LEU A 114 9.772 -7.511 -6.535 1.00 51.42 H new ATOM 0 HD11 LEU A 114 10.518 -9.857 -6.210 1.00 65.31 H new ATOM 0 HD12 LEU A 114 11.882 -8.752 -6.503 1.00 65.31 H new ATOM 0 HD13 LEU A 114 11.543 -9.330 -4.854 1.00 65.31 H new ATOM 0 HD21 LEU A 114 8.449 -9.062 -5.124 1.00 5.33 H new ATOM 0 HD22 LEU A 114 9.325 -8.484 -3.687 1.00 5.33 H new ATOM 0 HD23 LEU A 114 8.284 -7.369 -4.603 1.00 5.33 H new ATOM 1940 N LYS A 115 11.707 -3.478 -5.262 1.00 5.34 N ATOM 1941 CA LYS A 115 12.665 -2.391 -5.004 1.00 54.45 C ATOM 1942 C LYS A 115 11.957 -1.143 -4.453 1.00 32.53 C ATOM 1943 O LYS A 115 12.411 -0.554 -3.471 1.00 61.24 O ATOM 1944 CB LYS A 115 13.436 -2.038 -6.301 1.00 5.01 C ATOM 1945 CG LYS A 115 14.241 -3.210 -6.894 1.00 2.21 C ATOM 1946 CD LYS A 115 14.916 -2.858 -8.235 1.00 24.22 C ATOM 1947 CE LYS A 115 15.639 -4.053 -8.879 1.00 12.03 C ATOM 1948 NZ LYS A 115 16.314 -3.676 -10.149 1.00 43.03 N ATOM 0 H LYS A 115 11.554 -3.657 -6.254 1.00 5.34 H new ATOM 0 HA LYS A 115 13.372 -2.738 -4.251 1.00 54.45 H new ATOM 0 HB2 LYS A 115 12.726 -1.685 -7.048 1.00 5.01 H new ATOM 0 HB3 LYS A 115 14.117 -1.212 -6.093 1.00 5.01 H new ATOM 0 HG2 LYS A 115 15.004 -3.518 -6.179 1.00 2.21 H new ATOM 0 HG3 LYS A 115 13.578 -4.063 -7.040 1.00 2.21 H new ATOM 0 HD2 LYS A 115 14.162 -2.482 -8.926 1.00 24.22 H new ATOM 0 HD3 LYS A 115 15.632 -2.052 -8.074 1.00 24.22 H new ATOM 0 HE2 LYS A 115 16.376 -4.450 -8.181 1.00 12.03 H new ATOM 0 HE3 LYS A 115 14.921 -4.850 -9.073 1.00 12.03 H new ATOM 0 HZ1 LYS A 115 16.687 -4.530 -10.610 1.00 43.03 H new ATOM 0 HZ2 LYS A 115 15.631 -3.212 -10.781 1.00 43.03 H new ATOM 0 HZ3 LYS A 115 17.097 -3.022 -9.945 1.00 43.03 H new ATOM 1962 N ILE A 116 10.833 -0.756 -5.087 1.00 64.51 N ATOM 1963 CA ILE A 116 10.089 0.470 -4.739 1.00 52.22 C ATOM 1964 C ILE A 116 9.393 0.308 -3.370 1.00 31.32 C ATOM 1965 O ILE A 116 9.172 1.293 -2.654 1.00 1.03 O ATOM 1966 CB ILE A 116 9.040 0.873 -5.843 1.00 62.55 C ATOM 1967 CG1 ILE A 116 9.686 0.946 -7.270 1.00 63.33 C ATOM 1968 CG2 ILE A 116 8.374 2.219 -5.493 1.00 22.20 C ATOM 1969 CD1 ILE A 116 10.851 1.908 -7.425 1.00 23.41 C ATOM 0 H ILE A 116 10.416 -1.284 -5.854 1.00 64.51 H new ATOM 0 HA ILE A 116 10.817 1.279 -4.679 1.00 52.22 H new ATOM 0 HB ILE A 116 8.280 0.092 -5.864 1.00 62.55 H new ATOM 0 HG12 ILE A 116 10.026 -0.053 -7.545 1.00 63.33 H new ATOM 0 HG13 ILE A 116 8.911 1.227 -7.984 1.00 63.33 H new ATOM 0 HG21 ILE A 116 7.653 2.480 -6.267 1.00 22.20 H new ATOM 0 HG22 ILE A 116 7.862 2.133 -4.534 1.00 22.20 H new ATOM 0 HG23 ILE A 116 9.136 2.996 -5.429 1.00 22.20 H new ATOM 0 HD11 ILE A 116 11.217 1.874 -8.451 1.00 23.41 H new ATOM 0 HD12 ILE A 116 10.521 2.920 -7.190 1.00 23.41 H new ATOM 0 HD13 ILE A 116 11.653 1.621 -6.745 1.00 23.41 H new ATOM 1981 N VAL A 117 9.064 -0.948 -3.011 1.00 51.34 N ATOM 1982 CA VAL A 117 8.616 -1.298 -1.652 1.00 64.40 C ATOM 1983 C VAL A 117 9.695 -0.887 -0.636 1.00 31.34 C ATOM 1984 O VAL A 117 9.403 -0.208 0.347 1.00 70.45 O ATOM 1985 CB VAL A 117 8.319 -2.839 -1.504 1.00 43.10 C ATOM 1986 CG1 VAL A 117 7.988 -3.209 -0.045 1.00 41.15 C ATOM 1987 CG2 VAL A 117 7.174 -3.279 -2.434 1.00 72.13 C ATOM 0 H VAL A 117 9.101 -1.742 -3.650 1.00 51.34 H new ATOM 0 HA VAL A 117 7.687 -0.761 -1.461 1.00 64.40 H new ATOM 0 HB VAL A 117 9.225 -3.370 -1.796 1.00 43.10 H new ATOM 0 HG11 VAL A 117 7.788 -4.278 0.023 1.00 41.15 H new ATOM 0 HG12 VAL A 117 8.833 -2.956 0.595 1.00 41.15 H new ATOM 0 HG13 VAL A 117 7.108 -2.654 0.280 1.00 41.15 H new ATOM 0 HG21 VAL A 117 6.993 -4.347 -2.309 1.00 72.13 H new ATOM 0 HG22 VAL A 117 6.269 -2.726 -2.184 1.00 72.13 H new ATOM 0 HG23 VAL A 117 7.448 -3.077 -3.469 1.00 72.13 H new ATOM 1997 N ARG A 118 10.952 -1.274 -0.930 1.00 75.00 N ATOM 1998 CA ARG A 118 12.109 -0.980 -0.068 1.00 24.53 C ATOM 1999 C ARG A 118 12.466 0.527 -0.086 1.00 32.31 C ATOM 2000 O ARG A 118 13.082 1.018 0.863 1.00 63.33 O ATOM 2001 CB ARG A 118 13.319 -1.875 -0.462 1.00 44.55 C ATOM 2002 CG ARG A 118 13.023 -3.393 -0.370 1.00 23.13 C ATOM 2003 CD ARG A 118 14.255 -4.281 -0.614 1.00 51.41 C ATOM 2004 NE ARG A 118 14.917 -4.025 -1.911 1.00 13.25 N ATOM 2005 CZ ARG A 118 14.743 -4.742 -3.043 1.00 73.21 C ATOM 2006 NH1 ARG A 118 13.920 -5.777 -3.087 1.00 70.21 N ATOM 2007 NH2 ARG A 118 15.427 -4.424 -4.123 1.00 71.11 N ATOM 0 H ARG A 118 11.191 -1.799 -1.771 1.00 75.00 H new ATOM 0 HA ARG A 118 11.840 -1.220 0.961 1.00 24.53 H new ATOM 0 HB2 ARG A 118 13.622 -1.634 -1.481 1.00 44.55 H new ATOM 0 HB3 ARG A 118 14.162 -1.638 0.187 1.00 44.55 H new ATOM 0 HG2 ARG A 118 12.616 -3.615 0.616 1.00 23.13 H new ATOM 0 HG3 ARG A 118 12.253 -3.648 -1.098 1.00 23.13 H new ATOM 0 HD2 ARG A 118 14.974 -4.121 0.190 1.00 51.41 H new ATOM 0 HD3 ARG A 118 13.954 -5.328 -0.569 1.00 51.41 H new ATOM 0 HE ARG A 118 15.563 -3.237 -1.955 1.00 13.25 H new ATOM 0 HH11 ARG A 118 13.399 -6.050 -2.254 1.00 70.21 H new ATOM 0 HH12 ARG A 118 13.807 -6.302 -3.954 1.00 70.21 H new ATOM 0 HH21 ARG A 118 16.082 -3.642 -4.100 1.00 71.11 H new ATOM 0 HH22 ARG A 118 15.302 -4.960 -4.982 1.00 71.11 H new ATOM 2021 N GLU A 119 12.049 1.256 -1.152 1.00 65.45 N ATOM 2022 CA GLU A 119 12.170 2.732 -1.224 1.00 25.44 C ATOM 2023 C GLU A 119 11.179 3.387 -0.251 1.00 72.14 C ATOM 2024 O GLU A 119 11.538 4.298 0.483 1.00 44.14 O ATOM 2025 CB GLU A 119 11.898 3.257 -2.669 1.00 52.20 C ATOM 2026 CG GLU A 119 12.999 2.947 -3.699 1.00 11.21 C ATOM 2027 CD GLU A 119 14.328 3.648 -3.365 1.00 34.13 C ATOM 2028 OE1 GLU A 119 14.438 4.870 -3.609 1.00 24.34 O ATOM 2029 OE2 GLU A 119 15.261 2.993 -2.847 1.00 61.54 O ATOM 0 H GLU A 119 11.623 0.840 -1.980 1.00 65.45 H new ATOM 0 HA GLU A 119 13.191 2.996 -0.948 1.00 25.44 H new ATOM 0 HB2 GLU A 119 10.961 2.828 -3.023 1.00 52.20 H new ATOM 0 HB3 GLU A 119 11.758 4.337 -2.625 1.00 52.20 H new ATOM 0 HG2 GLU A 119 13.160 1.870 -3.742 1.00 11.21 H new ATOM 0 HG3 GLU A 119 12.665 3.259 -4.689 1.00 11.21 H new ATOM 2036 N PHE A 120 9.924 2.915 -0.278 1.00 41.51 N ATOM 2037 CA PHE A 120 8.847 3.409 0.599 1.00 2.33 C ATOM 2038 C PHE A 120 9.106 3.077 2.065 1.00 21.41 C ATOM 2039 O PHE A 120 8.772 3.868 2.931 1.00 44.23 O ATOM 2040 CB PHE A 120 7.478 2.859 0.136 1.00 13.51 C ATOM 2041 CG PHE A 120 6.982 3.455 -1.187 1.00 52.24 C ATOM 2042 CD1 PHE A 120 7.333 4.757 -1.570 1.00 64.23 C ATOM 2043 CD2 PHE A 120 6.155 2.731 -2.036 1.00 65.20 C ATOM 2044 CE1 PHE A 120 6.876 5.297 -2.747 1.00 33.43 C ATOM 2045 CE2 PHE A 120 5.700 3.287 -3.209 1.00 35.43 C ATOM 2046 CZ PHE A 120 6.059 4.566 -3.562 1.00 61.33 C ATOM 0 H PHE A 120 9.624 2.175 -0.912 1.00 41.51 H new ATOM 0 HA PHE A 120 8.829 4.496 0.519 1.00 2.33 H new ATOM 0 HB2 PHE A 120 7.550 1.776 0.031 1.00 13.51 H new ATOM 0 HB3 PHE A 120 6.738 3.056 0.912 1.00 13.51 H new ATOM 0 HD1 PHE A 120 7.973 5.345 -0.929 1.00 64.23 H new ATOM 0 HD2 PHE A 120 5.867 1.724 -1.773 1.00 65.20 H new ATOM 0 HE1 PHE A 120 7.162 6.300 -3.028 1.00 33.43 H new ATOM 0 HE2 PHE A 120 5.055 2.714 -3.858 1.00 35.43 H new ATOM 0 HZ PHE A 120 5.695 4.993 -4.485 1.00 61.33 H new ATOM 2056 N MET A 121 9.707 1.905 2.320 1.00 15.30 N ATOM 2057 CA MET A 121 10.131 1.499 3.667 1.00 4.54 C ATOM 2058 C MET A 121 11.378 2.293 4.112 1.00 62.13 C ATOM 2059 O MET A 121 11.616 2.430 5.305 1.00 33.10 O ATOM 2060 CB MET A 121 10.400 -0.031 3.738 1.00 4.53 C ATOM 2061 CG MET A 121 9.158 -0.913 3.503 1.00 13.40 C ATOM 2062 SD MET A 121 9.449 -2.657 3.883 1.00 25.21 S ATOM 2063 CE MET A 121 10.780 -3.088 2.764 1.00 24.23 C ATOM 0 H MET A 121 9.912 1.213 1.599 1.00 15.30 H new ATOM 0 HA MET A 121 9.316 1.727 4.354 1.00 4.54 H new ATOM 0 HB2 MET A 121 11.157 -0.288 2.997 1.00 4.53 H new ATOM 0 HB3 MET A 121 10.818 -0.268 4.716 1.00 4.53 H new ATOM 0 HG2 MET A 121 8.336 -0.545 4.117 1.00 13.40 H new ATOM 0 HG3 MET A 121 8.845 -0.821 2.463 1.00 13.40 H new ATOM 0 HE1 MET A 121 10.904 -4.171 2.747 1.00 24.23 H new ATOM 0 HE2 MET A 121 10.541 -2.734 1.761 1.00 24.23 H new ATOM 0 HE3 MET A 121 11.705 -2.622 3.103 1.00 24.23 H new ATOM 2073 N GLN A 122 12.174 2.790 3.137 1.00 65.25 N ATOM 2074 CA GLN A 122 13.348 3.655 3.402 1.00 22.30 C ATOM 2075 C GLN A 122 12.895 5.062 3.827 1.00 54.35 C ATOM 2076 O GLN A 122 13.392 5.618 4.818 1.00 24.52 O ATOM 2077 CB GLN A 122 14.257 3.720 2.144 1.00 1.01 C ATOM 2078 CG GLN A 122 15.492 4.634 2.268 1.00 5.12 C ATOM 2079 CD GLN A 122 16.383 4.607 1.025 1.00 62.21 C ATOM 2080 OE1 GLN A 122 17.310 3.809 0.928 1.00 30.52 O ATOM 2081 NE2 GLN A 122 16.100 5.468 0.066 1.00 61.44 N ATOM 0 H GLN A 122 12.021 2.603 2.146 1.00 65.25 H new ATOM 0 HA GLN A 122 13.925 3.226 4.221 1.00 22.30 H new ATOM 0 HB2 GLN A 122 14.595 2.711 1.908 1.00 1.01 H new ATOM 0 HB3 GLN A 122 13.657 4.061 1.300 1.00 1.01 H new ATOM 0 HG2 GLN A 122 15.163 5.657 2.450 1.00 5.12 H new ATOM 0 HG3 GLN A 122 16.078 4.328 3.135 1.00 5.12 H new ATOM 0 HE21 GLN A 122 15.322 6.118 0.178 1.00 61.44 H new ATOM 0 HE22 GLN A 122 16.659 5.483 -0.787 1.00 61.44 H new ATOM 2090 N LYS A 123 11.931 5.618 3.070 1.00 10.13 N ATOM 2091 CA LYS A 123 11.334 6.936 3.358 1.00 30.15 C ATOM 2092 C LYS A 123 10.524 6.867 4.670 1.00 4.04 C ATOM 2093 O LYS A 123 10.508 7.822 5.458 1.00 73.02 O ATOM 2094 CB LYS A 123 10.425 7.385 2.191 1.00 51.13 C ATOM 2095 CG LYS A 123 11.127 7.514 0.827 1.00 23.13 C ATOM 2096 CD LYS A 123 10.130 7.848 -0.316 1.00 71.44 C ATOM 2097 CE LYS A 123 10.803 7.915 -1.695 1.00 21.31 C ATOM 2098 NZ LYS A 123 9.856 8.223 -2.803 1.00 21.10 N ATOM 0 H LYS A 123 11.544 5.166 2.241 1.00 10.13 H new ATOM 0 HA LYS A 123 12.134 7.668 3.471 1.00 30.15 H new ATOM 0 HB2 LYS A 123 9.606 6.672 2.094 1.00 51.13 H new ATOM 0 HB3 LYS A 123 9.982 8.348 2.446 1.00 51.13 H new ATOM 0 HG2 LYS A 123 11.887 8.293 0.884 1.00 23.13 H new ATOM 0 HG3 LYS A 123 11.643 6.582 0.596 1.00 23.13 H new ATOM 0 HD2 LYS A 123 9.344 7.094 -0.337 1.00 71.44 H new ATOM 0 HD3 LYS A 123 9.650 8.803 -0.105 1.00 71.44 H new ATOM 0 HE2 LYS A 123 11.584 8.675 -1.673 1.00 21.31 H new ATOM 0 HE3 LYS A 123 11.291 6.962 -1.899 1.00 21.31 H new ATOM 0 HZ1 LYS A 123 10.329 8.071 -3.717 1.00 21.10 H new ATOM 0 HZ2 LYS A 123 9.027 7.599 -2.735 1.00 21.10 H new ATOM 0 HZ3 LYS A 123 9.550 9.214 -2.732 1.00 21.10 H new ATOM 2112 N ALA A 124 9.859 5.715 4.879 1.00 4.22 N ATOM 2113 CA ALA A 124 9.153 5.397 6.126 1.00 25.54 C ATOM 2114 C ALA A 124 10.141 5.317 7.276 1.00 31.00 C ATOM 2115 O ALA A 124 9.921 5.919 8.294 1.00 62.11 O ATOM 2116 CB ALA A 124 8.385 4.074 6.007 1.00 42.50 C ATOM 0 H ALA A 124 9.799 4.976 4.179 1.00 4.22 H new ATOM 0 HA ALA A 124 8.434 6.193 6.319 1.00 25.54 H new ATOM 0 HB1 ALA A 124 7.872 3.865 6.946 1.00 42.50 H new ATOM 0 HB2 ALA A 124 7.653 4.149 5.203 1.00 42.50 H new ATOM 0 HB3 ALA A 124 9.083 3.266 5.788 1.00 42.50 H new ATOM 2122 N GLY A 125 11.263 4.614 7.046 1.00 55.31 N ATOM 2123 CA GLY A 125 12.295 4.399 8.062 1.00 14.33 C ATOM 2124 C GLY A 125 12.938 5.698 8.534 1.00 53.42 C ATOM 2125 O GLY A 125 13.413 5.785 9.668 1.00 10.24 O ATOM 0 H GLY A 125 11.476 4.180 6.148 1.00 55.31 H new ATOM 0 HA2 GLY A 125 11.856 3.885 8.917 1.00 14.33 H new ATOM 0 HA3 GLY A 125 13.066 3.743 7.657 1.00 14.33 H new