USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 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 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 67 GLN : amide:sc= 0.261 K(o=-0.077,f=-3.5!) USER MOD Set 2.2: A 68 ASN :FLIP amide:sc= -0.338 F(o=-3.9!,f=-0.077) USER MOD Set 3.1: A 15 GLN : amide:sc= 1.04 K(o=2.3,f=-4.2) USER MOD Set 3.2: A 16 LYS NZ :NH3+ 177:sc= 1.22 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0204 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0109 USER MOD Single : A 4 ASN : amide:sc= 0.45 K(o=0.45,f=-0.16) USER MOD Single : A 6 GLN : amide:sc= 0.495 X(o=0.5,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -140:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.011 X(o=-0.011,f=-0.28) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 1.26 (180deg=1.04) USER MOD Single : A 47 ASN : amide:sc= -0.337 K(o=-0.34,f=-3.8!) USER MOD Single : A 56 GLN : amide:sc= -0.971 X(o=-0.97,f=-0.78) USER MOD Single : A 59 LYS NZ :NH3+ 163:sc= -0.0266 (180deg=-0.206) USER MOD Single : A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0959 USER MOD Single : A 74 CYS SG : rot -46:sc= -1.05 USER MOD Single : A 77 MET CE :methyl 179:sc= -0.294 (180deg=-0.294) USER MOD Single : A 78 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0767) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.486 X(o=-0.49,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.420 -2.662 -8.228 1.00 51.01 N ATOM 2 CA GLY A 1 13.855 -1.604 -7.388 1.00 72.54 C ATOM 3 C GLY A 1 14.929 -1.028 -6.501 1.00 21.23 C ATOM 4 O GLY A 1 16.028 -0.775 -6.985 1.00 50.44 O ATOM 0 H1 GLY A 1 13.934 -2.672 -9.147 1.00 51.01 H new ATOM 0 H2 GLY A 1 15.434 -2.485 -8.374 1.00 51.01 H new ATOM 0 H3 GLY A 1 14.294 -3.582 -7.760 1.00 51.01 H new ATOM 0 HA2 GLY A 1 13.428 -0.820 -8.013 1.00 72.54 H new ATOM 0 HA3 GLY A 1 13.044 -2.004 -6.780 1.00 72.54 H new ATOM 8 N SER A 2 14.624 -0.833 -5.220 1.00 50.22 N ATOM 9 CA SER A 2 15.507 -0.215 -4.250 1.00 25.44 C ATOM 10 C SER A 2 15.619 -1.085 -3.000 1.00 45.23 C ATOM 11 O SER A 2 15.116 -2.207 -2.934 1.00 61.23 O ATOM 12 CB SER A 2 14.963 1.178 -3.925 1.00 70.10 C ATOM 13 OG SER A 2 15.992 2.058 -3.512 1.00 25.33 O ATOM 0 H SER A 2 13.727 -1.111 -4.822 1.00 50.22 H new ATOM 0 HA SER A 2 16.513 -0.118 -4.659 1.00 25.44 H new ATOM 0 HB2 SER A 2 14.464 1.588 -4.803 1.00 70.10 H new ATOM 0 HB3 SER A 2 14.212 1.101 -3.139 1.00 70.10 H new ATOM 0 HG SER A 2 15.610 2.938 -3.314 1.00 25.33 H new ATOM 19 N GLU A 3 16.324 -0.559 -2.008 1.00 2.12 N ATOM 20 CA GLU A 3 16.577 -1.161 -0.708 1.00 74.31 C ATOM 21 C GLU A 3 15.319 -1.343 0.148 1.00 25.02 C ATOM 22 O GLU A 3 15.355 -2.120 1.105 1.00 61.03 O ATOM 23 CB GLU A 3 17.609 -0.300 0.030 1.00 62.33 C ATOM 24 CG GLU A 3 17.233 1.189 0.150 1.00 23.05 C ATOM 25 CD GLU A 3 18.366 1.987 0.791 1.00 12.24 C ATOM 26 OE1 GLU A 3 19.463 2.082 0.195 1.00 10.31 O ATOM 27 OE2 GLU A 3 18.165 2.511 1.918 1.00 10.33 O ATOM 0 H GLU A 3 16.762 0.358 -2.096 1.00 2.12 H new ATOM 0 HA GLU A 3 16.955 -2.169 -0.880 1.00 74.31 H new ATOM 0 HB2 GLU A 3 17.753 -0.707 1.031 1.00 62.33 H new ATOM 0 HB3 GLU A 3 18.565 -0.379 -0.487 1.00 62.33 H new ATOM 0 HG2 GLU A 3 17.012 1.593 -0.838 1.00 23.05 H new ATOM 0 HG3 GLU A 3 16.327 1.292 0.747 1.00 23.05 H new ATOM 34 N ASN A 4 14.214 -0.653 -0.162 1.00 33.11 N ATOM 35 CA ASN A 4 12.983 -0.798 0.622 1.00 32.42 C ATOM 36 C ASN A 4 12.416 -2.200 0.407 1.00 65.20 C ATOM 37 O ASN A 4 11.883 -2.805 1.333 1.00 61.33 O ATOM 38 CB ASN A 4 11.895 0.241 0.279 1.00 61.42 C ATOM 39 CG ASN A 4 12.429 1.609 -0.096 1.00 43.34 C ATOM 40 OD1 ASN A 4 12.693 2.443 0.762 1.00 32.34 O ATOM 41 ND2 ASN A 4 12.616 1.861 -1.382 1.00 3.15 N ATOM 0 H ASN A 4 14.147 0.003 -0.940 1.00 33.11 H new ATOM 0 HA ASN A 4 13.258 -0.629 1.663 1.00 32.42 H new ATOM 0 HB2 ASN A 4 11.294 -0.140 -0.547 1.00 61.42 H new ATOM 0 HB3 ASN A 4 11.229 0.347 1.135 1.00 61.42 H new ATOM 0 HD21 ASN A 4 12.987 2.765 -1.676 1.00 3.15 H new ATOM 0 HD22 ASN A 4 12.389 1.152 -2.079 1.00 3.15 H new ATOM 48 N PHE A 5 12.539 -2.707 -0.824 1.00 12.23 N ATOM 49 CA PHE A 5 12.022 -3.993 -1.274 1.00 30.02 C ATOM 50 C PHE A 5 12.333 -5.125 -0.296 1.00 52.54 C ATOM 51 O PHE A 5 11.425 -5.840 0.125 1.00 62.24 O ATOM 52 CB PHE A 5 12.591 -4.290 -2.668 1.00 32.44 C ATOM 53 CG PHE A 5 12.121 -5.596 -3.274 1.00 5.23 C ATOM 54 CD1 PHE A 5 10.757 -5.801 -3.542 1.00 61.23 C ATOM 55 CD2 PHE A 5 13.049 -6.617 -3.551 1.00 10.35 C ATOM 56 CE1 PHE A 5 10.325 -7.026 -4.077 1.00 33.34 C ATOM 57 CE2 PHE A 5 12.619 -7.828 -4.120 1.00 61.11 C ATOM 58 CZ PHE A 5 11.254 -8.032 -4.382 1.00 62.11 C ATOM 0 H PHE A 5 13.026 -2.204 -1.565 1.00 12.23 H new ATOM 0 HA PHE A 5 10.935 -3.932 -1.321 1.00 30.02 H new ATOM 0 HB2 PHE A 5 12.319 -3.475 -3.338 1.00 32.44 H new ATOM 0 HB3 PHE A 5 13.679 -4.303 -2.607 1.00 32.44 H new ATOM 0 HD1 PHE A 5 10.042 -5.018 -3.337 1.00 61.23 H new ATOM 0 HD2 PHE A 5 14.095 -6.470 -3.326 1.00 10.35 H new ATOM 0 HE1 PHE A 5 9.273 -7.194 -4.254 1.00 33.34 H new ATOM 0 HE2 PHE A 5 13.336 -8.600 -4.355 1.00 61.11 H new ATOM 0 HZ PHE A 5 10.920 -8.962 -4.818 1.00 62.11 H new ATOM 68 N GLN A 6 13.608 -5.284 0.061 1.00 10.24 N ATOM 69 CA GLN A 6 14.058 -6.377 0.913 1.00 43.22 C ATOM 70 C GLN A 6 13.362 -6.351 2.275 1.00 24.34 C ATOM 71 O GLN A 6 12.938 -7.400 2.759 1.00 31.04 O ATOM 72 CB GLN A 6 15.585 -6.306 1.075 1.00 24.01 C ATOM 73 CG GLN A 6 16.142 -7.370 2.034 1.00 45.20 C ATOM 74 CD GLN A 6 15.967 -8.793 1.519 1.00 2.41 C ATOM 75 OE1 GLN A 6 16.844 -9.324 0.839 1.00 32.14 O ATOM 76 NE2 GLN A 6 14.849 -9.433 1.813 1.00 45.12 N ATOM 0 H GLN A 6 14.356 -4.656 -0.234 1.00 10.24 H new ATOM 0 HA GLN A 6 13.792 -7.320 0.436 1.00 43.22 H new ATOM 0 HB2 GLN A 6 16.054 -6.426 0.098 1.00 24.01 H new ATOM 0 HB3 GLN A 6 15.859 -5.317 1.441 1.00 24.01 H new ATOM 0 HG2 GLN A 6 17.202 -7.179 2.202 1.00 45.20 H new ATOM 0 HG3 GLN A 6 15.644 -7.276 2.999 1.00 45.20 H new ATOM 0 HE21 GLN A 6 14.133 -8.976 2.378 1.00 45.12 H new ATOM 0 HE22 GLN A 6 14.702 -10.384 1.475 1.00 45.12 H new ATOM 85 N THR A 7 13.301 -5.189 2.918 1.00 71.10 N ATOM 86 CA THR A 7 12.736 -5.068 4.252 1.00 32.03 C ATOM 87 C THR A 7 11.225 -5.325 4.208 1.00 65.03 C ATOM 88 O THR A 7 10.668 -5.944 5.109 1.00 74.12 O ATOM 89 CB THR A 7 13.101 -3.680 4.806 1.00 12.54 C ATOM 90 OG1 THR A 7 14.485 -3.450 4.597 1.00 71.32 O ATOM 91 CG2 THR A 7 12.840 -3.569 6.306 1.00 54.22 C ATOM 0 H THR A 7 13.641 -4.310 2.529 1.00 71.10 H new ATOM 0 HA THR A 7 13.150 -5.818 4.927 1.00 32.03 H new ATOM 0 HB THR A 7 12.480 -2.950 4.286 1.00 12.54 H new ATOM 0 HG1 THR A 7 14.726 -2.566 4.946 1.00 71.32 H new ATOM 0 HG21 THR A 7 13.113 -2.571 6.650 1.00 54.22 H new ATOM 0 HG22 THR A 7 11.783 -3.745 6.505 1.00 54.22 H new ATOM 0 HG23 THR A 7 13.437 -4.311 6.835 1.00 54.22 H new ATOM 99 N LEU A 8 10.554 -4.905 3.138 1.00 42.13 N ATOM 100 CA LEU A 8 9.110 -5.041 3.000 1.00 41.52 C ATOM 101 C LEU A 8 8.697 -6.476 2.670 1.00 14.53 C ATOM 102 O LEU A 8 7.674 -6.950 3.169 1.00 62.40 O ATOM 103 CB LEU A 8 8.650 -4.064 1.920 1.00 34.31 C ATOM 104 CG LEU A 8 8.308 -2.647 2.443 1.00 14.23 C ATOM 105 CD1 LEU A 8 9.284 -2.046 3.467 1.00 23.22 C ATOM 106 CD2 LEU A 8 8.243 -1.676 1.262 1.00 73.34 C ATOM 0 H LEU A 8 11.002 -4.458 2.338 1.00 42.13 H new ATOM 0 HA LEU A 8 8.629 -4.806 3.949 1.00 41.52 H new ATOM 0 HB2 LEU A 8 9.432 -3.981 1.166 1.00 34.31 H new ATOM 0 HB3 LEU A 8 7.772 -4.477 1.424 1.00 34.31 H new ATOM 0 HG LEU A 8 7.358 -2.776 2.961 1.00 14.23 H new ATOM 0 HD11 LEU A 8 8.940 -1.054 3.759 1.00 23.22 H new ATOM 0 HD12 LEU A 8 9.329 -2.688 4.347 1.00 23.22 H new ATOM 0 HD13 LEU A 8 10.276 -1.970 3.023 1.00 23.22 H new ATOM 0 HD21 LEU A 8 8.002 -0.677 1.625 1.00 73.34 H new ATOM 0 HD22 LEU A 8 9.207 -1.655 0.755 1.00 73.34 H new ATOM 0 HD23 LEU A 8 7.473 -2.003 0.564 1.00 73.34 H new ATOM 118 N LEU A 9 9.502 -7.201 1.890 1.00 22.14 N ATOM 119 CA LEU A 9 9.379 -8.654 1.735 1.00 63.22 C ATOM 120 C LEU A 9 9.418 -9.333 3.105 1.00 72.43 C ATOM 121 O LEU A 9 8.751 -10.348 3.331 1.00 33.41 O ATOM 122 CB LEU A 9 10.564 -9.190 0.914 1.00 31.31 C ATOM 123 CG LEU A 9 10.436 -9.063 -0.611 1.00 33.34 C ATOM 124 CD1 LEU A 9 11.843 -9.192 -1.194 1.00 53.41 C ATOM 125 CD2 LEU A 9 9.530 -10.152 -1.205 1.00 24.25 C ATOM 0 H LEU A 9 10.262 -6.795 1.345 1.00 22.14 H new ATOM 0 HA LEU A 9 8.435 -8.867 1.233 1.00 63.22 H new ATOM 0 HB2 LEU A 9 11.466 -8.665 1.228 1.00 31.31 H new ATOM 0 HB3 LEU A 9 10.706 -10.242 1.161 1.00 31.31 H new ATOM 0 HG LEU A 9 9.982 -8.103 -0.857 1.00 33.34 H new ATOM 0 HD11 LEU A 9 11.796 -9.107 -2.280 1.00 53.41 H new ATOM 0 HD12 LEU A 9 12.476 -8.400 -0.795 1.00 53.41 H new ATOM 0 HD13 LEU A 9 12.261 -10.162 -0.924 1.00 53.41 H new ATOM 0 HD21 LEU A 9 9.468 -10.024 -2.286 1.00 24.25 H new ATOM 0 HD22 LEU A 9 9.946 -11.134 -0.979 1.00 24.25 H new ATOM 0 HD23 LEU A 9 8.533 -10.072 -0.772 1.00 24.25 H new ATOM 137 N ASP A 10 10.229 -8.791 4.010 1.00 34.01 N ATOM 138 CA ASP A 10 10.477 -9.373 5.328 1.00 43.14 C ATOM 139 C ASP A 10 9.388 -8.983 6.334 1.00 10.12 C ATOM 140 O ASP A 10 9.130 -9.703 7.303 1.00 31.05 O ATOM 141 CB ASP A 10 11.858 -8.940 5.826 1.00 22.13 C ATOM 142 CG ASP A 10 12.384 -9.926 6.859 1.00 14.25 C ATOM 143 OD1 ASP A 10 12.969 -10.957 6.438 1.00 71.10 O ATOM 144 OD2 ASP A 10 12.236 -9.691 8.077 1.00 74.43 O ATOM 0 H ASP A 10 10.740 -7.923 3.847 1.00 34.01 H new ATOM 0 HA ASP A 10 10.451 -10.459 5.235 1.00 43.14 H new ATOM 0 HB2 ASP A 10 12.551 -8.879 4.987 1.00 22.13 H new ATOM 0 HB3 ASP A 10 11.798 -7.943 6.263 1.00 22.13 H new ATOM 149 N ALA A 11 8.666 -7.893 6.054 1.00 23.03 N ATOM 150 CA ALA A 11 7.517 -7.397 6.803 1.00 64.22 C ATOM 151 C ALA A 11 6.275 -8.285 6.619 1.00 5.13 C ATOM 152 O ALA A 11 5.203 -7.969 7.143 1.00 71.43 O ATOM 153 CB ALA A 11 7.221 -5.952 6.382 1.00 11.34 C ATOM 0 H ALA A 11 8.884 -7.303 5.251 1.00 23.03 H new ATOM 0 HA ALA A 11 7.766 -7.426 7.864 1.00 64.22 H new ATOM 0 HB1 ALA A 11 6.362 -5.579 6.940 1.00 11.34 H new ATOM 0 HB2 ALA A 11 8.089 -5.327 6.591 1.00 11.34 H new ATOM 0 HB3 ALA A 11 7.001 -5.922 5.315 1.00 11.34 H new ATOM 159 N GLY A 12 6.391 -9.374 5.858 1.00 31.25 N ATOM 160 CA GLY A 12 5.347 -10.367 5.671 1.00 24.04 C ATOM 161 C GLY A 12 4.640 -10.251 4.328 1.00 51.14 C ATOM 162 O GLY A 12 3.694 -10.990 4.077 1.00 30.34 O ATOM 0 H GLY A 12 7.243 -9.591 5.341 1.00 31.25 H new ATOM 0 HA2 GLY A 12 5.782 -11.363 5.760 1.00 24.04 H new ATOM 0 HA3 GLY A 12 4.613 -10.267 6.470 1.00 24.04 H new ATOM 166 N LEU A 13 5.042 -9.300 3.483 1.00 73.20 N ATOM 167 CA LEU A 13 4.285 -8.961 2.288 1.00 31.33 C ATOM 168 C LEU A 13 4.672 -9.906 1.149 1.00 31.32 C ATOM 169 O LEU A 13 5.850 -10.263 1.033 1.00 41.40 O ATOM 170 CB LEU A 13 4.564 -7.499 1.903 1.00 63.23 C ATOM 171 CG LEU A 13 4.228 -6.499 3.029 1.00 61.11 C ATOM 172 CD1 LEU A 13 4.662 -5.094 2.617 1.00 3.30 C ATOM 173 CD2 LEU A 13 2.730 -6.487 3.342 1.00 65.21 C ATOM 0 H LEU A 13 5.893 -8.751 3.610 1.00 73.20 H new ATOM 0 HA LEU A 13 3.218 -9.073 2.482 1.00 31.33 H new ATOM 0 HB2 LEU A 13 5.615 -7.395 1.635 1.00 63.23 H new ATOM 0 HB3 LEU A 13 3.983 -7.246 1.016 1.00 63.23 H new ATOM 0 HG LEU A 13 4.765 -6.814 3.924 1.00 61.11 H new ATOM 0 HD11 LEU A 13 4.423 -4.391 3.415 1.00 3.30 H new ATOM 0 HD12 LEU A 13 5.737 -5.084 2.434 1.00 3.30 H new ATOM 0 HD13 LEU A 13 4.137 -4.803 1.707 1.00 3.30 H new ATOM 0 HD21 LEU A 13 2.531 -5.771 4.140 1.00 65.21 H new ATOM 0 HD22 LEU A 13 2.174 -6.200 2.449 1.00 65.21 H new ATOM 0 HD23 LEU A 13 2.417 -7.481 3.660 1.00 65.21 H new ATOM 185 N PRO A 14 3.729 -10.288 0.272 1.00 33.25 N ATOM 186 CA PRO A 14 4.051 -11.070 -0.912 1.00 50.02 C ATOM 187 C PRO A 14 4.983 -10.274 -1.839 1.00 42.11 C ATOM 188 O PRO A 14 4.979 -9.039 -1.851 1.00 52.00 O ATOM 189 CB PRO A 14 2.707 -11.432 -1.561 1.00 12.25 C ATOM 190 CG PRO A 14 1.704 -10.454 -0.962 1.00 21.31 C ATOM 191 CD PRO A 14 2.300 -10.043 0.378 1.00 13.41 C ATOM 0 HA PRO A 14 4.597 -11.983 -0.676 1.00 50.02 H new ATOM 0 HB2 PRO A 14 2.754 -11.335 -2.646 1.00 12.25 H new ATOM 0 HB3 PRO A 14 2.430 -12.464 -1.345 1.00 12.25 H new ATOM 0 HG2 PRO A 14 1.560 -9.590 -1.611 1.00 21.31 H new ATOM 0 HG3 PRO A 14 0.728 -10.921 -0.832 1.00 21.31 H new ATOM 0 HD2 PRO A 14 2.099 -8.993 0.589 1.00 13.41 H new ATOM 0 HD3 PRO A 14 1.864 -10.621 1.193 1.00 13.41 H new ATOM 199 N GLN A 15 5.744 -10.982 -2.675 1.00 24.11 N ATOM 200 CA GLN A 15 6.680 -10.415 -3.632 1.00 52.11 C ATOM 201 C GLN A 15 5.917 -9.508 -4.580 1.00 5.35 C ATOM 202 O GLN A 15 6.373 -8.401 -4.865 1.00 62.11 O ATOM 203 CB GLN A 15 7.357 -11.562 -4.402 1.00 33.24 C ATOM 204 CG GLN A 15 8.231 -11.085 -5.572 1.00 11.21 C ATOM 205 CD GLN A 15 8.638 -12.226 -6.498 1.00 11.35 C ATOM 206 OE1 GLN A 15 7.853 -13.130 -6.779 1.00 32.15 O ATOM 207 NE2 GLN A 15 9.837 -12.175 -7.041 1.00 54.32 N ATOM 0 H GLN A 15 5.721 -12.001 -2.701 1.00 24.11 H new ATOM 0 HA GLN A 15 7.448 -9.831 -3.125 1.00 52.11 H new ATOM 0 HB2 GLN A 15 7.972 -12.139 -3.711 1.00 33.24 H new ATOM 0 HB3 GLN A 15 6.589 -12.235 -4.784 1.00 33.24 H new ATOM 0 HG2 GLN A 15 7.688 -10.333 -6.144 1.00 11.21 H new ATOM 0 HG3 GLN A 15 9.126 -10.602 -5.180 1.00 11.21 H new ATOM 0 HE21 GLN A 15 10.476 -11.418 -6.797 1.00 54.32 H new ATOM 0 HE22 GLN A 15 10.127 -12.892 -7.706 1.00 54.32 H new ATOM 216 N LYS A 16 4.769 -9.982 -5.079 1.00 4.43 N ATOM 217 CA LYS A 16 4.062 -9.262 -6.119 1.00 25.23 C ATOM 218 C LYS A 16 3.663 -7.861 -5.646 1.00 33.32 C ATOM 219 O LYS A 16 3.750 -6.916 -6.427 1.00 22.24 O ATOM 220 CB LYS A 16 2.853 -10.061 -6.640 1.00 3.35 C ATOM 221 CG LYS A 16 3.215 -11.139 -7.672 1.00 53.14 C ATOM 222 CD LYS A 16 3.804 -12.428 -7.082 1.00 14.43 C ATOM 223 CE LYS A 16 4.379 -13.318 -8.184 1.00 45.20 C ATOM 224 NZ LYS A 16 5.740 -12.873 -8.545 1.00 74.33 N ATOM 0 H LYS A 16 4.323 -10.849 -4.778 1.00 4.43 H new ATOM 0 HA LYS A 16 4.744 -9.139 -6.960 1.00 25.23 H new ATOM 0 HB2 LYS A 16 2.352 -10.535 -5.796 1.00 3.35 H new ATOM 0 HB3 LYS A 16 2.139 -9.370 -7.087 1.00 3.35 H new ATOM 0 HG2 LYS A 16 2.320 -11.393 -8.240 1.00 53.14 H new ATOM 0 HG3 LYS A 16 3.932 -10.719 -8.378 1.00 53.14 H new ATOM 0 HD2 LYS A 16 4.586 -12.180 -6.364 1.00 14.43 H new ATOM 0 HD3 LYS A 16 3.031 -12.970 -6.537 1.00 14.43 H new ATOM 0 HE2 LYS A 16 4.405 -14.354 -7.847 1.00 45.20 H new ATOM 0 HE3 LYS A 16 3.733 -13.285 -9.062 1.00 45.20 H new ATOM 0 HZ1 LYS A 16 6.138 -13.517 -9.258 1.00 74.33 H new ATOM 0 HZ2 LYS A 16 5.699 -11.909 -8.933 1.00 74.33 H new ATOM 0 HZ3 LYS A 16 6.343 -12.879 -7.698 1.00 74.33 H new ATOM 238 N VAL A 17 3.234 -7.744 -4.387 1.00 52.32 N ATOM 239 CA VAL A 17 2.955 -6.491 -3.697 1.00 2.12 C ATOM 240 C VAL A 17 4.271 -5.722 -3.563 1.00 63.33 C ATOM 241 O VAL A 17 4.379 -4.605 -4.072 1.00 23.22 O ATOM 242 CB VAL A 17 2.281 -6.811 -2.338 1.00 2.21 C ATOM 243 CG1 VAL A 17 2.176 -5.655 -1.327 1.00 61.25 C ATOM 244 CG2 VAL A 17 0.856 -7.323 -2.585 1.00 21.34 C ATOM 0 H VAL A 17 3.065 -8.559 -3.798 1.00 52.32 H new ATOM 0 HA VAL A 17 2.261 -5.857 -4.249 1.00 2.12 H new ATOM 0 HB VAL A 17 2.946 -7.548 -1.888 1.00 2.21 H new ATOM 0 HG11 VAL A 17 1.686 -6.009 -0.420 1.00 61.25 H new ATOM 0 HG12 VAL A 17 3.175 -5.293 -1.083 1.00 61.25 H new ATOM 0 HG13 VAL A 17 1.592 -4.843 -1.762 1.00 61.25 H new ATOM 0 HG21 VAL A 17 0.380 -7.549 -1.631 1.00 21.34 H new ATOM 0 HG22 VAL A 17 0.280 -6.558 -3.106 1.00 21.34 H new ATOM 0 HG23 VAL A 17 0.894 -8.226 -3.194 1.00 21.34 H new ATOM 254 N ALA A 18 5.272 -6.319 -2.906 1.00 42.03 N ATOM 255 CA ALA A 18 6.544 -5.685 -2.591 1.00 14.41 C ATOM 256 C ALA A 18 7.181 -5.003 -3.813 1.00 61.42 C ATOM 257 O ALA A 18 7.601 -3.850 -3.703 1.00 51.22 O ATOM 258 CB ALA A 18 7.478 -6.714 -1.947 1.00 2.31 C ATOM 0 H ALA A 18 5.212 -7.281 -2.573 1.00 42.03 H new ATOM 0 HA ALA A 18 6.362 -4.882 -1.877 1.00 14.41 H new ATOM 0 HB1 ALA A 18 8.431 -6.242 -1.710 1.00 2.31 H new ATOM 0 HB2 ALA A 18 7.024 -7.095 -1.032 1.00 2.31 H new ATOM 0 HB3 ALA A 18 7.644 -7.539 -2.640 1.00 2.31 H new ATOM 264 N GLU A 19 7.210 -5.647 -4.985 1.00 22.35 N ATOM 265 CA GLU A 19 7.845 -5.069 -6.171 1.00 34.43 C ATOM 266 C GLU A 19 7.213 -3.720 -6.546 1.00 13.03 C ATOM 267 O GLU A 19 7.935 -2.774 -6.866 1.00 33.51 O ATOM 268 CB GLU A 19 7.800 -6.042 -7.366 1.00 10.42 C ATOM 269 CG GLU A 19 8.741 -7.246 -7.191 1.00 44.41 C ATOM 270 CD GLU A 19 9.241 -7.793 -8.529 1.00 22.22 C ATOM 271 OE1 GLU A 19 8.559 -8.607 -9.190 1.00 41.24 O ATOM 272 OE2 GLU A 19 10.365 -7.417 -8.933 1.00 11.14 O ATOM 0 H GLU A 19 6.801 -6.569 -5.136 1.00 22.35 H new ATOM 0 HA GLU A 19 8.891 -4.892 -5.921 1.00 34.43 H new ATOM 0 HB2 GLU A 19 6.779 -6.401 -7.498 1.00 10.42 H new ATOM 0 HB3 GLU A 19 8.069 -5.505 -8.276 1.00 10.42 H new ATOM 0 HG2 GLU A 19 9.594 -6.951 -6.580 1.00 44.41 H new ATOM 0 HG3 GLU A 19 8.220 -8.036 -6.650 1.00 44.41 H new ATOM 279 N LYS A 20 5.879 -3.600 -6.479 1.00 73.45 N ATOM 280 CA LYS A 20 5.187 -2.337 -6.757 1.00 61.41 C ATOM 281 C LYS A 20 5.383 -1.351 -5.612 1.00 63.33 C ATOM 282 O LYS A 20 5.489 -0.155 -5.868 1.00 25.23 O ATOM 283 CB LYS A 20 3.672 -2.549 -6.952 1.00 51.33 C ATOM 284 CG LYS A 20 3.213 -2.911 -8.372 1.00 74.33 C ATOM 285 CD LYS A 20 3.659 -4.302 -8.834 1.00 22.42 C ATOM 286 CE LYS A 20 5.012 -4.342 -9.556 1.00 44.35 C ATOM 287 NZ LYS A 20 4.930 -3.829 -10.938 1.00 74.12 N ATOM 0 H LYS A 20 5.256 -4.369 -6.233 1.00 73.45 H new ATOM 0 HA LYS A 20 5.618 -1.940 -7.676 1.00 61.41 H new ATOM 0 HB2 LYS A 20 3.347 -3.340 -6.276 1.00 51.33 H new ATOM 0 HB3 LYS A 20 3.157 -1.638 -6.648 1.00 51.33 H new ATOM 0 HG2 LYS A 20 2.125 -2.856 -8.417 1.00 74.33 H new ATOM 0 HG3 LYS A 20 3.599 -2.167 -9.069 1.00 74.33 H new ATOM 0 HD2 LYS A 20 3.708 -4.959 -7.965 1.00 22.42 H new ATOM 0 HD3 LYS A 20 2.897 -4.709 -9.499 1.00 22.42 H new ATOM 0 HE2 LYS A 20 5.737 -3.752 -8.995 1.00 44.35 H new ATOM 0 HE3 LYS A 20 5.381 -5.368 -9.574 1.00 44.35 H new ATOM 0 HZ1 LYS A 20 5.869 -3.877 -11.382 1.00 74.12 H new ATOM 0 HZ2 LYS A 20 4.259 -4.407 -11.483 1.00 74.12 H new ATOM 0 HZ3 LYS A 20 4.604 -2.841 -10.923 1.00 74.12 H new ATOM 301 N LEU A 21 5.349 -1.822 -4.367 1.00 12.21 N ATOM 302 CA LEU A 21 5.290 -0.996 -3.163 1.00 10.01 C ATOM 303 C LEU A 21 6.604 -0.257 -2.949 1.00 2.12 C ATOM 304 O LEU A 21 6.599 0.913 -2.588 1.00 41.45 O ATOM 305 CB LEU A 21 4.978 -1.933 -1.986 1.00 52.13 C ATOM 306 CG LEU A 21 4.763 -1.280 -0.623 1.00 13.43 C ATOM 307 CD1 LEU A 21 3.863 -0.045 -0.632 1.00 73.32 C ATOM 308 CD2 LEU A 21 4.211 -2.339 0.333 1.00 12.20 C ATOM 0 H LEU A 21 5.362 -2.821 -4.162 1.00 12.21 H new ATOM 0 HA LEU A 21 4.516 -0.234 -3.254 1.00 10.01 H new ATOM 0 HB2 LEU A 21 4.083 -2.503 -2.234 1.00 52.13 H new ATOM 0 HB3 LEU A 21 5.796 -2.648 -1.895 1.00 52.13 H new ATOM 0 HG LEU A 21 5.733 -0.906 -0.295 1.00 13.43 H new ATOM 0 HD11 LEU A 21 3.772 0.346 0.381 1.00 73.32 H new ATOM 0 HD12 LEU A 21 4.298 0.718 -1.278 1.00 73.32 H new ATOM 0 HD13 LEU A 21 2.876 -0.317 -1.006 1.00 73.32 H new ATOM 0 HD21 LEU A 21 4.049 -1.894 1.315 1.00 12.20 H new ATOM 0 HD22 LEU A 21 3.265 -2.720 -0.053 1.00 12.20 H new ATOM 0 HD23 LEU A 21 4.924 -3.159 0.419 1.00 12.20 H new ATOM 320 N ASP A 22 7.724 -0.926 -3.209 1.00 34.50 N ATOM 321 CA ASP A 22 9.071 -0.370 -3.117 1.00 43.03 C ATOM 322 C ASP A 22 9.190 0.910 -3.951 1.00 74.11 C ATOM 323 O ASP A 22 9.595 1.949 -3.441 1.00 31.31 O ATOM 324 CB ASP A 22 10.046 -1.460 -3.560 1.00 43.01 C ATOM 325 CG ASP A 22 11.417 -0.924 -3.958 1.00 65.40 C ATOM 326 OD1 ASP A 22 12.102 -0.334 -3.091 1.00 22.21 O ATOM 327 OD2 ASP A 22 11.791 -1.168 -5.127 1.00 5.05 O ATOM 0 H ASP A 22 7.719 -1.904 -3.500 1.00 34.50 H new ATOM 0 HA ASP A 22 9.307 -0.075 -2.094 1.00 43.03 H new ATOM 0 HB2 ASP A 22 10.167 -2.179 -2.750 1.00 43.01 H new ATOM 0 HB3 ASP A 22 9.616 -2.000 -4.404 1.00 43.01 H new ATOM 332 N GLU A 23 8.706 0.876 -5.193 1.00 65.55 N ATOM 333 CA GLU A 23 8.695 1.994 -6.138 1.00 61.15 C ATOM 334 C GLU A 23 7.955 3.230 -5.613 1.00 4.23 C ATOM 335 O GLU A 23 8.221 4.352 -6.044 1.00 30.54 O ATOM 336 CB GLU A 23 8.023 1.511 -7.432 1.00 33.54 C ATOM 337 CG GLU A 23 9.036 1.136 -8.516 1.00 63.35 C ATOM 338 CD GLU A 23 9.227 2.303 -9.484 1.00 51.44 C ATOM 339 OE1 GLU A 23 8.257 2.565 -10.239 1.00 3.43 O ATOM 340 OE2 GLU A 23 10.267 2.991 -9.434 1.00 4.44 O ATOM 0 H GLU A 23 8.292 0.030 -5.586 1.00 65.55 H new ATOM 0 HA GLU A 23 9.728 2.302 -6.303 1.00 61.15 H new ATOM 0 HB2 GLU A 23 7.396 0.647 -7.211 1.00 33.54 H new ATOM 0 HB3 GLU A 23 7.365 2.294 -7.810 1.00 33.54 H new ATOM 0 HG2 GLU A 23 9.990 0.874 -8.058 1.00 63.35 H new ATOM 0 HG3 GLU A 23 8.690 0.256 -9.059 1.00 63.35 H new ATOM 347 N ILE A 24 7.018 3.054 -4.684 1.00 44.44 N ATOM 348 CA ILE A 24 6.252 4.159 -4.121 1.00 50.42 C ATOM 349 C ILE A 24 7.144 4.944 -3.134 1.00 33.21 C ATOM 350 O ILE A 24 6.956 6.145 -2.957 1.00 54.25 O ATOM 351 CB ILE A 24 4.926 3.641 -3.504 1.00 2.13 C ATOM 352 CG1 ILE A 24 4.259 2.562 -4.394 1.00 72.25 C ATOM 353 CG2 ILE A 24 3.928 4.776 -3.271 1.00 45.13 C ATOM 354 CD1 ILE A 24 2.875 2.066 -3.961 1.00 41.44 C ATOM 0 H ILE A 24 6.770 2.141 -4.302 1.00 44.44 H new ATOM 0 HA ILE A 24 5.954 4.859 -4.901 1.00 50.42 H new ATOM 0 HB ILE A 24 5.193 3.197 -2.545 1.00 2.13 H new ATOM 0 HG12 ILE A 24 4.176 2.960 -5.405 1.00 72.25 H new ATOM 0 HG13 ILE A 24 4.927 1.702 -4.444 1.00 72.25 H new ATOM 0 HG21 ILE A 24 3.013 4.372 -2.838 1.00 45.13 H new ATOM 0 HG22 ILE A 24 4.361 5.507 -2.588 1.00 45.13 H new ATOM 0 HG23 ILE A 24 3.698 5.259 -4.221 1.00 45.13 H new ATOM 0 HD11 ILE A 24 2.521 1.315 -4.667 1.00 41.44 H new ATOM 0 HD12 ILE A 24 2.941 1.626 -2.966 1.00 41.44 H new ATOM 0 HD13 ILE A 24 2.178 2.904 -3.942 1.00 41.44 H new ATOM 366 N TYR A 25 8.168 4.315 -2.549 1.00 61.33 N ATOM 367 CA TYR A 25 9.162 4.930 -1.665 1.00 34.11 C ATOM 368 C TYR A 25 10.375 5.480 -2.429 1.00 54.53 C ATOM 369 O TYR A 25 11.185 6.208 -1.856 1.00 10.21 O ATOM 370 CB TYR A 25 9.587 3.919 -0.592 1.00 51.53 C ATOM 371 CG TYR A 25 8.402 3.407 0.200 1.00 12.10 C ATOM 372 CD1 TYR A 25 7.607 4.318 0.917 1.00 70.32 C ATOM 373 CD2 TYR A 25 8.004 2.064 0.104 1.00 44.23 C ATOM 374 CE1 TYR A 25 6.396 3.912 1.501 1.00 44.43 C ATOM 375 CE2 TYR A 25 6.809 1.641 0.707 1.00 22.10 C ATOM 376 CZ TYR A 25 5.996 2.564 1.399 1.00 10.51 C ATOM 377 OH TYR A 25 4.807 2.181 1.933 1.00 23.44 O ATOM 0 H TYR A 25 8.334 3.318 -2.685 1.00 61.33 H new ATOM 0 HA TYR A 25 8.697 5.791 -1.185 1.00 34.11 H new ATOM 0 HB2 TYR A 25 10.098 3.080 -1.065 1.00 51.53 H new ATOM 0 HB3 TYR A 25 10.302 4.387 0.085 1.00 51.53 H new ATOM 0 HD1 TYR A 25 7.932 5.343 1.020 1.00 70.32 H new ATOM 0 HD2 TYR A 25 8.617 1.356 -0.434 1.00 44.23 H new ATOM 0 HE1 TYR A 25 5.777 4.626 2.024 1.00 44.43 H new ATOM 0 HE2 TYR A 25 6.511 0.605 0.641 1.00 22.10 H new ATOM 0 HH TYR A 25 4.908 1.305 2.361 1.00 23.44 H new ATOM 387 N VAL A 26 10.500 5.164 -3.719 1.00 65.32 N ATOM 388 CA VAL A 26 11.628 5.558 -4.560 1.00 31.41 C ATOM 389 C VAL A 26 11.443 6.962 -5.147 1.00 50.23 C ATOM 390 O VAL A 26 12.426 7.673 -5.340 1.00 44.02 O ATOM 391 CB VAL A 26 11.796 4.468 -5.642 1.00 31.52 C ATOM 392 CG1 VAL A 26 12.736 4.825 -6.793 1.00 11.11 C ATOM 393 CG2 VAL A 26 12.355 3.199 -4.989 1.00 64.24 C ATOM 0 H VAL A 26 9.802 4.613 -4.219 1.00 65.32 H new ATOM 0 HA VAL A 26 12.541 5.627 -3.969 1.00 31.41 H new ATOM 0 HB VAL A 26 10.801 4.341 -6.068 1.00 31.52 H new ATOM 0 HG11 VAL A 26 12.783 3.993 -7.496 1.00 11.11 H new ATOM 0 HG12 VAL A 26 12.364 5.712 -7.305 1.00 11.11 H new ATOM 0 HG13 VAL A 26 13.733 5.025 -6.400 1.00 11.11 H new ATOM 0 HG21 VAL A 26 12.477 2.424 -5.746 1.00 64.24 H new ATOM 0 HG22 VAL A 26 13.322 3.419 -4.536 1.00 64.24 H new ATOM 0 HG23 VAL A 26 11.665 2.851 -4.221 1.00 64.24 H new ATOM 403 N ALA A 27 10.210 7.381 -5.442 1.00 73.34 N ATOM 404 CA ALA A 27 9.944 8.586 -6.228 1.00 13.30 C ATOM 405 C ALA A 27 9.770 9.844 -5.359 1.00 70.32 C ATOM 406 O ALA A 27 9.237 10.852 -5.832 1.00 63.23 O ATOM 407 CB ALA A 27 8.733 8.320 -7.130 1.00 4.12 C ATOM 0 H ALA A 27 9.367 6.892 -5.141 1.00 73.34 H new ATOM 0 HA ALA A 27 10.814 8.803 -6.848 1.00 13.30 H new ATOM 0 HB1 ALA A 27 8.520 9.209 -7.724 1.00 4.12 H new ATOM 0 HB2 ALA A 27 8.951 7.483 -7.794 1.00 4.12 H new ATOM 0 HB3 ALA A 27 7.867 8.079 -6.514 1.00 4.12 H new ATOM 413 N GLY A 28 10.146 9.786 -4.078 1.00 33.54 N ATOM 414 CA GLY A 28 10.012 10.904 -3.152 1.00 34.24 C ATOM 415 C GLY A 28 8.555 11.329 -2.958 1.00 54.14 C ATOM 416 O GLY A 28 8.273 12.522 -2.822 1.00 13.11 O ATOM 0 H GLY A 28 10.555 8.953 -3.655 1.00 33.54 H new ATOM 0 HA2 GLY A 28 10.438 10.627 -2.188 1.00 34.24 H new ATOM 0 HA3 GLY A 28 10.588 11.751 -3.524 1.00 34.24 H new ATOM 420 N LEU A 29 7.627 10.376 -3.052 1.00 44.25 N ATOM 421 CA LEU A 29 6.201 10.522 -2.809 1.00 42.15 C ATOM 422 C LEU A 29 5.957 10.395 -1.317 1.00 10.12 C ATOM 423 O LEU A 29 5.506 11.344 -0.673 1.00 51.14 O ATOM 424 CB LEU A 29 5.405 9.428 -3.543 1.00 71.13 C ATOM 425 CG LEU A 29 5.434 9.618 -5.066 1.00 34.30 C ATOM 426 CD1 LEU A 29 5.157 8.274 -5.730 1.00 13.40 C ATOM 427 CD2 LEU A 29 4.414 10.665 -5.524 1.00 41.04 C ATOM 0 H LEU A 29 7.873 9.422 -3.317 1.00 44.25 H new ATOM 0 HA LEU A 29 5.872 11.494 -3.178 1.00 42.15 H new ATOM 0 HB2 LEU A 29 5.817 8.450 -3.292 1.00 71.13 H new ATOM 0 HB3 LEU A 29 4.372 9.437 -3.196 1.00 71.13 H new ATOM 0 HG LEU A 29 6.418 9.984 -5.359 1.00 34.30 H new ATOM 0 HD11 LEU A 29 5.174 8.393 -6.813 1.00 13.40 H new ATOM 0 HD12 LEU A 29 5.921 7.556 -5.431 1.00 13.40 H new ATOM 0 HD13 LEU A 29 4.177 7.910 -5.421 1.00 13.40 H new ATOM 0 HD21 LEU A 29 4.464 10.772 -6.608 1.00 41.04 H new ATOM 0 HD22 LEU A 29 3.412 10.347 -5.237 1.00 41.04 H new ATOM 0 HD23 LEU A 29 4.639 11.622 -5.054 1.00 41.04 H new ATOM 439 N VAL A 30 6.230 9.205 -0.779 1.00 13.44 N ATOM 440 CA VAL A 30 6.013 8.898 0.630 1.00 71.02 C ATOM 441 C VAL A 30 7.282 8.301 1.233 1.00 4.32 C ATOM 442 O VAL A 30 8.112 7.737 0.509 1.00 2.52 O ATOM 443 CB VAL A 30 4.788 7.970 0.769 1.00 45.22 C ATOM 444 CG1 VAL A 30 3.502 8.716 0.391 1.00 23.10 C ATOM 445 CG2 VAL A 30 4.888 6.718 -0.114 1.00 65.55 C ATOM 0 H VAL A 30 6.610 8.425 -1.315 1.00 13.44 H new ATOM 0 HA VAL A 30 5.796 9.808 1.190 1.00 71.02 H new ATOM 0 HB VAL A 30 4.764 7.658 1.813 1.00 45.22 H new ATOM 0 HG11 VAL A 30 2.649 8.046 0.495 1.00 23.10 H new ATOM 0 HG12 VAL A 30 3.372 9.574 1.050 1.00 23.10 H new ATOM 0 HG13 VAL A 30 3.570 9.059 -0.641 1.00 23.10 H new ATOM 0 HG21 VAL A 30 3.999 6.103 0.025 1.00 65.55 H new ATOM 0 HG22 VAL A 30 4.963 7.015 -1.160 1.00 65.55 H new ATOM 0 HG23 VAL A 30 5.773 6.146 0.165 1.00 65.55 H new ATOM 455 N ALA A 31 7.421 8.408 2.556 1.00 45.31 N ATOM 456 CA ALA A 31 8.490 7.761 3.301 1.00 33.02 C ATOM 457 C ALA A 31 8.095 6.332 3.654 1.00 50.25 C ATOM 458 O ALA A 31 6.910 6.051 3.854 1.00 50.12 O ATOM 459 CB ALA A 31 8.743 8.537 4.593 1.00 5.11 C ATOM 0 H ALA A 31 6.786 8.952 3.141 1.00 45.31 H new ATOM 0 HA ALA A 31 9.390 7.745 2.687 1.00 33.02 H new ATOM 0 HB1 ALA A 31 9.543 8.056 5.155 1.00 5.11 H new ATOM 0 HB2 ALA A 31 9.032 9.560 4.352 1.00 5.11 H new ATOM 0 HB3 ALA A 31 7.834 8.549 5.194 1.00 5.11 H new ATOM 465 N HIS A 32 9.088 5.460 3.853 1.00 53.52 N ATOM 466 CA HIS A 32 8.855 4.087 4.295 1.00 1.20 C ATOM 467 C HIS A 32 8.199 4.018 5.685 1.00 45.31 C ATOM 468 O HIS A 32 7.668 2.969 6.035 1.00 12.44 O ATOM 469 CB HIS A 32 10.159 3.273 4.241 1.00 62.32 C ATOM 470 CG HIS A 32 11.194 3.678 5.266 1.00 33.11 C ATOM 471 ND1 HIS A 32 11.200 3.291 6.587 1.00 3.21 N ATOM 472 CD2 HIS A 32 12.299 4.462 5.059 1.00 73.25 C ATOM 473 CE1 HIS A 32 12.286 3.827 7.160 1.00 63.12 C ATOM 474 NE2 HIS A 32 12.998 4.547 6.271 1.00 22.04 N ATOM 0 H HIS A 32 10.072 5.688 3.712 1.00 53.52 H new ATOM 0 HA HIS A 32 8.143 3.639 3.602 1.00 1.20 H new ATOM 0 HB2 HIS A 32 9.920 2.219 4.381 1.00 62.32 H new ATOM 0 HB3 HIS A 32 10.593 3.372 3.246 1.00 62.32 H new ATOM 0 HD2 HIS A 32 12.581 4.931 4.128 1.00 73.25 H new ATOM 0 HE1 HIS A 32 12.555 3.699 8.198 1.00 63.12 H new ATOM 0 HE2 HIS A 32 13.868 5.051 6.445 1.00 22.04 H new ATOM 482 N SER A 33 8.195 5.114 6.452 1.00 10.31 N ATOM 483 CA SER A 33 7.617 5.230 7.789 1.00 25.14 C ATOM 484 C SER A 33 6.517 6.304 7.859 1.00 50.12 C ATOM 485 O SER A 33 6.260 6.857 8.929 1.00 22.12 O ATOM 486 CB SER A 33 8.753 5.477 8.792 1.00 33.24 C ATOM 487 OG SER A 33 9.575 6.568 8.397 1.00 74.11 O ATOM 0 H SER A 33 8.618 5.987 6.137 1.00 10.31 H new ATOM 0 HA SER A 33 7.114 4.298 8.048 1.00 25.14 H new ATOM 0 HB2 SER A 33 8.332 5.677 9.777 1.00 33.24 H new ATOM 0 HB3 SER A 33 9.361 4.577 8.882 1.00 33.24 H new ATOM 0 HG SER A 33 10.286 6.698 9.059 1.00 74.11 H new ATOM 493 N ASP A 34 5.896 6.667 6.727 1.00 32.11 N ATOM 494 CA ASP A 34 4.794 7.651 6.707 1.00 4.32 C ATOM 495 C ASP A 34 3.422 7.014 7.002 1.00 11.42 C ATOM 496 O ASP A 34 2.368 7.659 7.035 1.00 61.31 O ATOM 497 CB ASP A 34 4.777 8.400 5.363 1.00 2.33 C ATOM 498 CG ASP A 34 4.565 9.911 5.508 1.00 25.33 C ATOM 499 OD1 ASP A 34 4.080 10.392 6.559 1.00 62.35 O ATOM 500 OD2 ASP A 34 4.909 10.637 4.553 1.00 73.24 O ATOM 0 H ASP A 34 6.136 6.295 5.808 1.00 32.11 H new ATOM 0 HA ASP A 34 4.981 8.363 7.511 1.00 4.32 H new ATOM 0 HB2 ASP A 34 5.719 8.221 4.845 1.00 2.33 H new ATOM 0 HB3 ASP A 34 3.985 7.988 4.737 1.00 2.33 H new ATOM 505 N LEU A 35 3.417 5.693 7.155 1.00 11.13 N ATOM 506 CA LEU A 35 2.257 4.862 7.388 1.00 34.40 C ATOM 507 C LEU A 35 2.083 4.641 8.886 1.00 11.42 C ATOM 508 O LEU A 35 2.786 5.243 9.700 1.00 71.32 O ATOM 509 CB LEU A 35 2.458 3.534 6.637 1.00 51.51 C ATOM 510 CG LEU A 35 2.508 3.645 5.105 1.00 54.44 C ATOM 511 CD1 LEU A 35 1.256 4.369 4.591 1.00 3.53 C ATOM 512 CD2 LEU A 35 3.791 4.272 4.535 1.00 32.33 C ATOM 0 H LEU A 35 4.279 5.149 7.116 1.00 11.13 H new ATOM 0 HA LEU A 35 1.351 5.342 7.019 1.00 34.40 H new ATOM 0 HB2 LEU A 35 3.386 3.078 6.982 1.00 51.51 H new ATOM 0 HB3 LEU A 35 1.649 2.856 6.909 1.00 51.51 H new ATOM 0 HG LEU A 35 2.526 2.620 4.735 1.00 54.44 H new ATOM 0 HD11 LEU A 35 1.299 4.444 3.504 1.00 3.53 H new ATOM 0 HD12 LEU A 35 0.367 3.809 4.881 1.00 3.53 H new ATOM 0 HD13 LEU A 35 1.211 5.369 5.022 1.00 3.53 H new ATOM 0 HD21 LEU A 35 3.728 4.305 3.447 1.00 32.33 H new ATOM 0 HD22 LEU A 35 3.905 5.284 4.923 1.00 32.33 H new ATOM 0 HD23 LEU A 35 4.652 3.672 4.830 1.00 32.33 H new ATOM 524 N ASP A 36 1.147 3.778 9.261 1.00 5.11 N ATOM 525 CA ASP A 36 0.997 3.302 10.633 1.00 12.20 C ATOM 526 C ASP A 36 0.975 1.779 10.699 1.00 54.11 C ATOM 527 O ASP A 36 1.060 1.091 9.680 1.00 12.53 O ATOM 528 CB ASP A 36 -0.216 3.962 11.314 1.00 12.42 C ATOM 529 CG ASP A 36 -1.573 3.538 10.748 1.00 74.42 C ATOM 530 OD1 ASP A 36 -1.635 2.600 9.922 1.00 12.13 O ATOM 531 OD2 ASP A 36 -2.599 4.180 11.091 1.00 44.13 O ATOM 0 H ASP A 36 0.463 3.384 8.615 1.00 5.11 H new ATOM 0 HA ASP A 36 1.874 3.608 11.203 1.00 12.20 H new ATOM 0 HB2 ASP A 36 -0.191 3.727 12.378 1.00 12.42 H new ATOM 0 HB3 ASP A 36 -0.122 5.044 11.225 1.00 12.42 H new ATOM 536 N GLU A 37 0.933 1.248 11.922 1.00 73.44 N ATOM 537 CA GLU A 37 0.925 -0.189 12.178 1.00 32.34 C ATOM 538 C GLU A 37 -0.335 -0.848 11.609 1.00 70.34 C ATOM 539 O GLU A 37 -0.285 -1.974 11.111 1.00 25.23 O ATOM 540 CB GLU A 37 1.056 -0.401 13.687 1.00 15.23 C ATOM 541 CG GLU A 37 1.218 -1.882 14.029 1.00 54.23 C ATOM 542 CD GLU A 37 1.815 -2.034 15.423 1.00 75.23 C ATOM 543 OE1 GLU A 37 1.109 -1.727 16.415 1.00 60.01 O ATOM 544 OE2 GLU A 37 3.026 -2.348 15.515 1.00 75.21 O ATOM 0 H GLU A 37 0.903 1.812 12.771 1.00 73.44 H new ATOM 0 HA GLU A 37 1.765 -0.666 11.673 1.00 32.34 H new ATOM 0 HB2 GLU A 37 1.914 0.157 14.061 1.00 15.23 H new ATOM 0 HB3 GLU A 37 0.174 -0.004 14.190 1.00 15.23 H new ATOM 0 HG2 GLU A 37 0.251 -2.382 13.982 1.00 54.23 H new ATOM 0 HG3 GLU A 37 1.862 -2.365 13.294 1.00 54.23 H new ATOM 551 N ARG A 38 -1.450 -0.113 11.610 1.00 23.41 N ATOM 552 CA ARG A 38 -2.725 -0.588 11.096 1.00 74.35 C ATOM 553 C ARG A 38 -2.602 -0.902 9.612 1.00 32.12 C ATOM 554 O ARG A 38 -3.171 -1.891 9.151 1.00 42.34 O ATOM 555 CB ARG A 38 -3.849 0.425 11.379 1.00 65.15 C ATOM 556 CG ARG A 38 -3.858 0.891 12.842 1.00 62.13 C ATOM 557 CD ARG A 38 -5.014 1.842 13.158 1.00 41.54 C ATOM 558 NE ARG A 38 -6.269 1.127 13.431 1.00 24.23 N ATOM 559 CZ ARG A 38 -7.395 1.687 13.881 1.00 41.23 C ATOM 560 NH1 ARG A 38 -7.498 3.004 14.019 1.00 1.20 N ATOM 561 NH2 ARG A 38 -8.426 0.917 14.192 1.00 62.44 N ATOM 0 H ARG A 38 -1.487 0.839 11.973 1.00 23.41 H new ATOM 0 HA ARG A 38 -2.994 -1.509 11.614 1.00 74.35 H new ATOM 0 HB2 ARG A 38 -3.729 1.289 10.725 1.00 65.15 H new ATOM 0 HB3 ARG A 38 -4.811 -0.026 11.138 1.00 65.15 H new ATOM 0 HG2 ARG A 38 -3.922 0.020 13.495 1.00 62.13 H new ATOM 0 HG3 ARG A 38 -2.914 1.388 13.065 1.00 62.13 H new ATOM 0 HD2 ARG A 38 -4.752 2.454 14.021 1.00 41.54 H new ATOM 0 HD3 ARG A 38 -5.161 2.522 12.319 1.00 41.54 H new ATOM 0 HE ARG A 38 -6.281 0.121 13.263 1.00 24.23 H new ATOM 0 HH11 ARG A 38 -6.709 3.605 13.780 1.00 1.20 H new ATOM 0 HH12 ARG A 38 -8.366 3.414 14.364 1.00 1.20 H new ATOM 0 HH21 ARG A 38 -8.356 -0.095 14.087 1.00 62.44 H new ATOM 0 HH22 ARG A 38 -9.290 1.336 14.536 1.00 62.44 H new ATOM 575 N ALA A 39 -1.831 -0.092 8.883 1.00 2.34 N ATOM 576 CA ALA A 39 -1.536 -0.311 7.482 1.00 43.33 C ATOM 577 C ALA A 39 -0.765 -1.613 7.286 1.00 63.11 C ATOM 578 O ALA A 39 -1.005 -2.295 6.295 1.00 52.51 O ATOM 579 CB ALA A 39 -0.730 0.860 6.913 1.00 52.15 C ATOM 0 H ALA A 39 -1.391 0.746 9.264 1.00 2.34 H new ATOM 0 HA ALA A 39 -2.483 -0.383 6.947 1.00 43.33 H new ATOM 0 HB1 ALA A 39 -0.518 0.678 5.860 1.00 52.15 H new ATOM 0 HB2 ALA A 39 -1.305 1.780 7.013 1.00 52.15 H new ATOM 0 HB3 ALA A 39 0.208 0.957 7.461 1.00 52.15 H new ATOM 585 N ILE A 40 0.177 -1.948 8.175 1.00 44.11 N ATOM 586 CA ILE A 40 0.969 -3.178 8.043 1.00 3.42 C ATOM 587 C ILE A 40 0.057 -4.400 8.150 1.00 11.31 C ATOM 588 O ILE A 40 0.135 -5.300 7.315 1.00 43.23 O ATOM 589 CB ILE A 40 2.089 -3.253 9.106 1.00 31.32 C ATOM 590 CG1 ILE A 40 2.912 -1.962 9.244 1.00 45.42 C ATOM 591 CG2 ILE A 40 3.030 -4.445 8.854 1.00 51.15 C ATOM 592 CD1 ILE A 40 3.491 -1.417 7.940 1.00 62.14 C ATOM 0 H ILE A 40 0.410 -1.386 8.993 1.00 44.11 H new ATOM 0 HA ILE A 40 1.445 -3.166 7.062 1.00 3.42 H new ATOM 0 HB ILE A 40 1.565 -3.395 10.051 1.00 31.32 H new ATOM 0 HG12 ILE A 40 2.281 -1.194 9.692 1.00 45.42 H new ATOM 0 HG13 ILE A 40 3.732 -2.145 9.938 1.00 45.42 H new ATOM 0 HG21 ILE A 40 3.804 -4.466 9.621 1.00 51.15 H new ATOM 0 HG22 ILE A 40 2.459 -5.373 8.890 1.00 51.15 H new ATOM 0 HG23 ILE A 40 3.493 -4.342 7.873 1.00 51.15 H new ATOM 0 HD11 ILE A 40 4.054 -0.506 8.144 1.00 62.14 H new ATOM 0 HD12 ILE A 40 4.153 -2.161 7.497 1.00 62.14 H new ATOM 0 HD13 ILE A 40 2.680 -1.195 7.247 1.00 62.14 H new ATOM 604 N GLU A 41 -0.773 -4.457 9.196 1.00 71.02 N ATOM 605 CA GLU A 41 -1.673 -5.585 9.406 1.00 23.24 C ATOM 606 C GLU A 41 -2.656 -5.688 8.243 1.00 34.01 C ATOM 607 O GLU A 41 -2.781 -6.746 7.628 1.00 12.41 O ATOM 608 CB GLU A 41 -2.401 -5.409 10.748 1.00 45.11 C ATOM 609 CG GLU A 41 -3.129 -6.683 11.190 1.00 41.34 C ATOM 610 CD GLU A 41 -2.146 -7.761 11.643 1.00 71.22 C ATOM 611 OE1 GLU A 41 -1.650 -8.538 10.794 1.00 61.23 O ATOM 612 OE2 GLU A 41 -1.842 -7.814 12.859 1.00 63.35 O ATOM 0 H GLU A 41 -0.837 -3.731 9.910 1.00 71.02 H new ATOM 0 HA GLU A 41 -1.106 -6.515 9.443 1.00 23.24 H new ATOM 0 HB2 GLU A 41 -1.681 -5.121 11.514 1.00 45.11 H new ATOM 0 HB3 GLU A 41 -3.120 -4.594 10.664 1.00 45.11 H new ATOM 0 HG2 GLU A 41 -3.814 -6.448 12.005 1.00 41.34 H new ATOM 0 HG3 GLU A 41 -3.733 -7.063 10.366 1.00 41.34 H new ATOM 619 N ALA A 42 -3.325 -4.582 7.908 1.00 74.41 N ATOM 620 CA ALA A 42 -4.339 -4.583 6.871 1.00 72.45 C ATOM 621 C ALA A 42 -3.758 -4.909 5.489 1.00 5.02 C ATOM 622 O ALA A 42 -4.489 -5.462 4.667 1.00 30.33 O ATOM 623 CB ALA A 42 -5.072 -3.244 6.878 1.00 2.33 C ATOM 0 H ALA A 42 -3.176 -3.674 8.347 1.00 74.41 H new ATOM 0 HA ALA A 42 -5.053 -5.378 7.087 1.00 72.45 H new ATOM 0 HB1 ALA A 42 -5.835 -3.243 6.099 1.00 2.33 H new ATOM 0 HB2 ALA A 42 -5.544 -3.093 7.849 1.00 2.33 H new ATOM 0 HB3 ALA A 42 -4.361 -2.439 6.691 1.00 2.33 H new ATOM 629 N LEU A 43 -2.475 -4.610 5.237 1.00 74.55 N ATOM 630 CA LEU A 43 -1.762 -5.070 4.049 1.00 32.40 C ATOM 631 C LEU A 43 -1.708 -6.596 4.010 1.00 13.31 C ATOM 632 O LEU A 43 -2.043 -7.170 2.972 1.00 34.44 O ATOM 633 CB LEU A 43 -0.332 -4.496 3.985 1.00 44.45 C ATOM 634 CG LEU A 43 -0.168 -3.199 3.173 1.00 23.50 C ATOM 635 CD1 LEU A 43 1.301 -2.765 3.239 1.00 23.51 C ATOM 636 CD2 LEU A 43 -0.551 -3.352 1.691 1.00 30.43 C ATOM 0 H LEU A 43 -1.904 -4.038 5.860 1.00 74.55 H new ATOM 0 HA LEU A 43 -2.313 -4.708 3.181 1.00 32.40 H new ATOM 0 HB2 LEU A 43 0.011 -4.311 5.003 1.00 44.45 H new ATOM 0 HB3 LEU A 43 0.325 -5.254 3.560 1.00 44.45 H new ATOM 0 HG LEU A 43 -0.841 -2.463 3.612 1.00 23.50 H new ATOM 0 HD11 LEU A 43 1.435 -1.846 2.668 1.00 23.51 H new ATOM 0 HD12 LEU A 43 1.583 -2.591 4.278 1.00 23.51 H new ATOM 0 HD13 LEU A 43 1.931 -3.549 2.818 1.00 23.51 H new ATOM 0 HD21 LEU A 43 -0.411 -2.400 1.179 1.00 30.43 H new ATOM 0 HD22 LEU A 43 0.082 -4.109 1.228 1.00 30.43 H new ATOM 0 HD23 LEU A 43 -1.595 -3.655 1.614 1.00 30.43 H new ATOM 648 N LYS A 44 -1.262 -7.259 5.088 1.00 72.21 N ATOM 649 CA LYS A 44 -1.260 -8.720 5.123 1.00 33.10 C ATOM 650 C LYS A 44 -2.666 -9.286 4.935 1.00 72.41 C ATOM 651 O LYS A 44 -2.817 -10.271 4.218 1.00 43.43 O ATOM 652 CB LYS A 44 -0.647 -9.273 6.419 1.00 25.33 C ATOM 653 CG LYS A 44 0.679 -10.019 6.166 1.00 42.52 C ATOM 654 CD LYS A 44 1.899 -9.279 6.725 1.00 33.03 C ATOM 655 CE LYS A 44 2.345 -9.963 8.025 1.00 44.13 C ATOM 656 NZ LYS A 44 3.301 -9.165 8.814 1.00 3.54 N ATOM 0 H LYS A 44 -0.905 -6.811 5.932 1.00 72.21 H new ATOM 0 HA LYS A 44 -0.635 -9.042 4.290 1.00 33.10 H new ATOM 0 HB2 LYS A 44 -0.473 -8.453 7.115 1.00 25.33 H new ATOM 0 HB3 LYS A 44 -1.357 -9.949 6.895 1.00 25.33 H new ATOM 0 HG2 LYS A 44 0.624 -11.010 6.617 1.00 42.52 H new ATOM 0 HG3 LYS A 44 0.809 -10.164 5.094 1.00 42.52 H new ATOM 0 HD2 LYS A 44 2.711 -9.287 5.997 1.00 33.03 H new ATOM 0 HD3 LYS A 44 1.652 -8.235 6.915 1.00 33.03 H new ATOM 0 HE2 LYS A 44 1.467 -10.171 8.636 1.00 44.13 H new ATOM 0 HE3 LYS A 44 2.799 -10.924 7.783 1.00 44.13 H new ATOM 0 HZ1 LYS A 44 3.883 -9.799 9.399 1.00 3.54 H new ATOM 0 HZ2 LYS A 44 3.916 -8.625 8.172 1.00 3.54 H new ATOM 0 HZ3 LYS A 44 2.780 -8.508 9.429 1.00 3.54 H new ATOM 670 N GLU A 45 -3.698 -8.682 5.529 1.00 62.23 N ATOM 671 CA GLU A 45 -5.081 -9.145 5.396 1.00 13.44 C ATOM 672 C GLU A 45 -5.704 -8.756 4.044 1.00 22.32 C ATOM 673 O GLU A 45 -6.893 -8.410 3.978 1.00 31.50 O ATOM 674 CB GLU A 45 -5.957 -8.673 6.562 1.00 32.14 C ATOM 675 CG GLU A 45 -5.435 -9.046 7.956 1.00 21.43 C ATOM 676 CD GLU A 45 -6.582 -9.271 8.944 1.00 61.24 C ATOM 677 OE1 GLU A 45 -7.142 -10.389 8.981 1.00 74.54 O ATOM 678 OE2 GLU A 45 -6.949 -8.336 9.702 1.00 54.43 O ATOM 0 H GLU A 45 -3.597 -7.855 6.118 1.00 62.23 H new ATOM 0 HA GLU A 45 -5.041 -10.234 5.430 1.00 13.44 H new ATOM 0 HB2 GLU A 45 -6.058 -7.589 6.506 1.00 32.14 H new ATOM 0 HB3 GLU A 45 -6.956 -9.093 6.440 1.00 32.14 H new ATOM 0 HG2 GLU A 45 -4.829 -9.950 7.889 1.00 21.43 H new ATOM 0 HG3 GLU A 45 -4.785 -8.253 8.326 1.00 21.43 H new ATOM 685 N PHE A 46 -4.920 -8.819 2.969 1.00 65.54 N ATOM 686 CA PHE A 46 -5.392 -8.870 1.599 1.00 32.23 C ATOM 687 C PHE A 46 -4.695 -10.044 0.922 1.00 71.54 C ATOM 688 O PHE A 46 -3.531 -10.331 1.214 1.00 72.33 O ATOM 689 CB PHE A 46 -5.052 -7.587 0.837 1.00 31.31 C ATOM 690 CG PHE A 46 -6.085 -6.490 0.909 1.00 31.42 C ATOM 691 CD1 PHE A 46 -7.301 -6.622 0.210 1.00 24.54 C ATOM 692 CD2 PHE A 46 -5.798 -5.302 1.598 1.00 43.31 C ATOM 693 CE1 PHE A 46 -8.221 -5.561 0.191 1.00 64.51 C ATOM 694 CE2 PHE A 46 -6.717 -4.244 1.576 1.00 61.14 C ATOM 695 CZ PHE A 46 -7.923 -4.367 0.866 1.00 50.05 C ATOM 0 H PHE A 46 -3.902 -8.836 3.038 1.00 65.54 H new ATOM 0 HA PHE A 46 -6.476 -8.981 1.596 1.00 32.23 H new ATOM 0 HB2 PHE A 46 -4.109 -7.198 1.220 1.00 31.31 H new ATOM 0 HB3 PHE A 46 -4.890 -7.841 -0.211 1.00 31.31 H new ATOM 0 HD1 PHE A 46 -7.526 -7.540 -0.312 1.00 24.54 H new ATOM 0 HD2 PHE A 46 -4.871 -5.203 2.144 1.00 43.31 H new ATOM 0 HE1 PHE A 46 -9.155 -5.664 -0.341 1.00 64.51 H new ATOM 0 HE2 PHE A 46 -6.497 -3.330 2.107 1.00 61.14 H new ATOM 0 HZ PHE A 46 -8.621 -3.543 0.840 1.00 50.05 H new ATOM 705 N ASN A 47 -5.383 -10.701 -0.009 1.00 12.43 N ATOM 706 CA ASN A 47 -4.741 -11.592 -0.965 1.00 51.34 C ATOM 707 C ASN A 47 -3.883 -10.803 -1.931 1.00 61.14 C ATOM 708 O ASN A 47 -4.008 -9.588 -2.034 1.00 73.13 O ATOM 709 CB ASN A 47 -5.765 -12.377 -1.795 1.00 30.54 C ATOM 710 CG ASN A 47 -6.703 -11.495 -2.609 1.00 74.14 C ATOM 711 OD1 ASN A 47 -7.297 -10.549 -2.095 1.00 62.33 O ATOM 712 ND2 ASN A 47 -6.856 -11.766 -3.892 1.00 70.12 N ATOM 0 H ASN A 47 -6.394 -10.630 -0.120 1.00 12.43 H new ATOM 0 HA ASN A 47 -4.136 -12.286 -0.381 1.00 51.34 H new ATOM 0 HB2 ASN A 47 -5.234 -13.047 -2.471 1.00 30.54 H new ATOM 0 HB3 ASN A 47 -6.358 -13.002 -1.127 1.00 30.54 H new ATOM 0 HD21 ASN A 47 -7.471 -11.189 -4.465 1.00 70.12 H new ATOM 0 HD22 ASN A 47 -6.359 -12.553 -4.310 1.00 70.12 H new ATOM 719 N GLU A 48 -3.100 -11.537 -2.712 1.00 34.32 N ATOM 720 CA GLU A 48 -2.232 -11.074 -3.760 1.00 30.14 C ATOM 721 C GLU A 48 -2.963 -10.088 -4.675 1.00 34.42 C ATOM 722 O GLU A 48 -2.613 -8.911 -4.736 1.00 61.42 O ATOM 723 CB GLU A 48 -1.754 -12.333 -4.499 1.00 64.55 C ATOM 724 CG GLU A 48 -0.578 -11.977 -5.388 1.00 3.12 C ATOM 725 CD GLU A 48 -0.340 -13.013 -6.490 1.00 50.42 C ATOM 726 OE1 GLU A 48 -1.067 -13.011 -7.514 1.00 4.25 O ATOM 727 OE2 GLU A 48 0.577 -13.850 -6.339 1.00 50.41 O ATOM 0 H GLU A 48 -3.061 -12.551 -2.611 1.00 34.32 H new ATOM 0 HA GLU A 48 -1.377 -10.521 -3.372 1.00 30.14 H new ATOM 0 HB2 GLU A 48 -1.463 -13.101 -3.782 1.00 64.55 H new ATOM 0 HB3 GLU A 48 -2.565 -12.747 -5.098 1.00 64.55 H new ATOM 0 HG2 GLU A 48 -0.753 -11.002 -5.842 1.00 3.12 H new ATOM 0 HG3 GLU A 48 0.321 -11.888 -4.778 1.00 3.12 H new ATOM 734 N ASP A 49 -3.997 -10.571 -5.368 1.00 54.35 N ATOM 735 CA ASP A 49 -4.701 -9.810 -6.392 1.00 1.23 C ATOM 736 C ASP A 49 -5.430 -8.616 -5.778 1.00 62.44 C ATOM 737 O ASP A 49 -5.570 -7.576 -6.422 1.00 64.53 O ATOM 738 CB ASP A 49 -5.692 -10.729 -7.126 1.00 61.24 C ATOM 739 CG ASP A 49 -5.416 -10.736 -8.626 1.00 25.33 C ATOM 740 OD1 ASP A 49 -4.455 -11.435 -9.019 1.00 73.43 O ATOM 741 OD2 ASP A 49 -6.149 -10.065 -9.392 1.00 30.20 O ATOM 0 H ASP A 49 -4.369 -11.511 -5.230 1.00 54.35 H new ATOM 0 HA ASP A 49 -3.974 -9.425 -7.107 1.00 1.23 H new ATOM 0 HB2 ASP A 49 -5.614 -11.743 -6.733 1.00 61.24 H new ATOM 0 HB3 ASP A 49 -6.712 -10.393 -6.941 1.00 61.24 H new ATOM 746 N GLY A 50 -5.880 -8.751 -4.527 1.00 62.24 N ATOM 747 CA GLY A 50 -6.568 -7.699 -3.808 1.00 51.24 C ATOM 748 C GLY A 50 -5.598 -6.586 -3.445 1.00 12.30 C ATOM 749 O GLY A 50 -5.849 -5.428 -3.773 1.00 21.24 O ATOM 0 H GLY A 50 -5.770 -9.609 -3.987 1.00 62.24 H new ATOM 0 HA2 GLY A 50 -7.377 -7.300 -4.420 1.00 51.24 H new ATOM 0 HA3 GLY A 50 -7.022 -8.104 -2.904 1.00 51.24 H new ATOM 753 N ALA A 51 -4.496 -6.929 -2.778 1.00 61.43 N ATOM 754 CA ALA A 51 -3.439 -6.009 -2.394 1.00 1.11 C ATOM 755 C ALA A 51 -2.834 -5.308 -3.610 1.00 12.23 C ATOM 756 O ALA A 51 -2.525 -4.123 -3.523 1.00 70.24 O ATOM 757 CB ALA A 51 -2.350 -6.759 -1.627 1.00 24.33 C ATOM 0 H ALA A 51 -4.314 -7.888 -2.483 1.00 61.43 H new ATOM 0 HA ALA A 51 -3.877 -5.244 -1.752 1.00 1.11 H new ATOM 0 HB1 ALA A 51 -1.561 -6.063 -1.342 1.00 24.33 H new ATOM 0 HB2 ALA A 51 -2.779 -7.207 -0.731 1.00 24.33 H new ATOM 0 HB3 ALA A 51 -1.932 -7.542 -2.260 1.00 24.33 H new ATOM 763 N LEU A 52 -2.673 -5.989 -4.748 1.00 1.21 N ATOM 764 CA LEU A 52 -2.185 -5.336 -5.960 1.00 24.33 C ATOM 765 C LEU A 52 -3.115 -4.212 -6.383 1.00 24.13 C ATOM 766 O LEU A 52 -2.639 -3.129 -6.717 1.00 61.11 O ATOM 767 CB LEU A 52 -2.003 -6.337 -7.114 1.00 45.02 C ATOM 768 CG LEU A 52 -0.539 -6.724 -7.362 1.00 22.41 C ATOM 769 CD1 LEU A 52 0.343 -5.519 -7.720 1.00 65.53 C ATOM 770 CD2 LEU A 52 0.071 -7.454 -6.167 1.00 34.40 C ATOM 0 H LEU A 52 -2.872 -6.984 -4.853 1.00 1.21 H new ATOM 0 HA LEU A 52 -1.208 -4.914 -5.725 1.00 24.33 H new ATOM 0 HB2 LEU A 52 -2.577 -7.238 -6.897 1.00 45.02 H new ATOM 0 HB3 LEU A 52 -2.417 -5.907 -8.026 1.00 45.02 H new ATOM 0 HG LEU A 52 -0.563 -7.398 -8.219 1.00 22.41 H new ATOM 0 HD11 LEU A 52 1.367 -5.854 -7.884 1.00 65.53 H new ATOM 0 HD12 LEU A 52 -0.035 -5.048 -8.628 1.00 65.53 H new ATOM 0 HD13 LEU A 52 0.324 -4.798 -6.903 1.00 65.53 H new ATOM 0 HD21 LEU A 52 1.108 -7.709 -6.387 1.00 34.40 H new ATOM 0 HD22 LEU A 52 0.034 -6.809 -5.289 1.00 34.40 H new ATOM 0 HD23 LEU A 52 -0.493 -8.366 -5.971 1.00 34.40 H new ATOM 782 N ALA A 53 -4.427 -4.442 -6.336 1.00 61.14 N ATOM 783 CA ALA A 53 -5.391 -3.415 -6.684 1.00 54.21 C ATOM 784 C ALA A 53 -5.270 -2.215 -5.742 1.00 4.01 C ATOM 785 O ALA A 53 -5.219 -1.061 -6.161 1.00 51.01 O ATOM 786 CB ALA A 53 -6.801 -4.005 -6.649 1.00 43.34 C ATOM 0 H ALA A 53 -4.840 -5.333 -6.060 1.00 61.14 H new ATOM 0 HA ALA A 53 -5.186 -3.059 -7.694 1.00 54.21 H new ATOM 0 HB1 ALA A 53 -7.525 -3.233 -6.910 1.00 43.34 H new ATOM 0 HB2 ALA A 53 -6.870 -4.825 -7.364 1.00 43.34 H new ATOM 0 HB3 ALA A 53 -7.014 -4.378 -5.647 1.00 43.34 H new ATOM 792 N VAL A 54 -5.163 -2.491 -4.448 1.00 45.41 N ATOM 793 CA VAL A 54 -4.970 -1.485 -3.417 1.00 25.23 C ATOM 794 C VAL A 54 -3.702 -0.661 -3.705 1.00 50.42 C ATOM 795 O VAL A 54 -3.704 0.552 -3.479 1.00 41.45 O ATOM 796 CB VAL A 54 -4.931 -2.231 -2.072 1.00 10.42 C ATOM 797 CG1 VAL A 54 -4.593 -1.367 -0.869 1.00 11.33 C ATOM 798 CG2 VAL A 54 -6.263 -2.931 -1.748 1.00 42.42 C ATOM 0 H VAL A 54 -5.209 -3.441 -4.081 1.00 45.41 H new ATOM 0 HA VAL A 54 -5.782 -0.758 -3.392 1.00 25.23 H new ATOM 0 HB VAL A 54 -4.127 -2.951 -2.226 1.00 10.42 H new ATOM 0 HG11 VAL A 54 -4.590 -1.982 0.031 1.00 11.33 H new ATOM 0 HG12 VAL A 54 -3.608 -0.920 -1.007 1.00 11.33 H new ATOM 0 HG13 VAL A 54 -5.338 -0.578 -0.767 1.00 11.33 H new ATOM 0 HG21 VAL A 54 -6.181 -3.442 -0.789 1.00 42.42 H new ATOM 0 HG22 VAL A 54 -7.061 -2.190 -1.698 1.00 42.42 H new ATOM 0 HG23 VAL A 54 -6.491 -3.657 -2.528 1.00 42.42 H new ATOM 808 N LEU A 55 -2.628 -1.277 -4.214 1.00 1.31 N ATOM 809 CA LEU A 55 -1.363 -0.602 -4.491 1.00 21.20 C ATOM 810 C LEU A 55 -1.459 0.237 -5.753 1.00 61.43 C ATOM 811 O LEU A 55 -1.038 1.395 -5.744 1.00 65.33 O ATOM 812 CB LEU A 55 -0.195 -1.582 -4.695 1.00 70.14 C ATOM 813 CG LEU A 55 0.371 -2.271 -3.446 1.00 3.02 C ATOM 814 CD1 LEU A 55 1.696 -2.915 -3.856 1.00 43.05 C ATOM 815 CD2 LEU A 55 0.615 -1.314 -2.276 1.00 64.21 C ATOM 0 H LEU A 55 -2.617 -2.270 -4.446 1.00 1.31 H new ATOM 0 HA LEU A 55 -1.170 0.017 -3.615 1.00 21.20 H new ATOM 0 HB2 LEU A 55 -0.522 -2.357 -5.389 1.00 70.14 H new ATOM 0 HB3 LEU A 55 0.618 -1.042 -5.180 1.00 70.14 H new ATOM 0 HG LEU A 55 -0.360 -2.998 -3.092 1.00 3.02 H new ATOM 0 HD11 LEU A 55 2.137 -3.419 -2.996 1.00 43.05 H new ATOM 0 HD12 LEU A 55 1.518 -3.641 -4.650 1.00 43.05 H new ATOM 0 HD13 LEU A 55 2.379 -2.145 -4.215 1.00 43.05 H new ATOM 0 HD21 LEU A 55 1.015 -1.870 -1.428 1.00 64.21 H new ATOM 0 HD22 LEU A 55 1.329 -0.547 -2.576 1.00 64.21 H new ATOM 0 HD23 LEU A 55 -0.325 -0.842 -1.990 1.00 64.21 H new ATOM 827 N GLN A 56 -1.978 -0.342 -6.838 1.00 71.44 N ATOM 828 CA GLN A 56 -2.053 0.332 -8.124 1.00 72.33 C ATOM 829 C GLN A 56 -2.848 1.628 -7.950 1.00 31.51 C ATOM 830 O GLN A 56 -2.433 2.675 -8.435 1.00 72.34 O ATOM 831 CB GLN A 56 -2.604 -0.627 -9.205 1.00 50.05 C ATOM 832 CG GLN A 56 -4.133 -0.656 -9.343 1.00 31.33 C ATOM 833 CD GLN A 56 -4.682 -1.899 -10.032 1.00 3.23 C ATOM 834 OE1 GLN A 56 -3.984 -2.626 -10.733 1.00 14.12 O ATOM 835 NE2 GLN A 56 -5.960 -2.167 -9.821 1.00 13.13 N ATOM 0 H GLN A 56 -2.356 -1.289 -6.844 1.00 71.44 H new ATOM 0 HA GLN A 56 -1.064 0.616 -8.483 1.00 72.33 H new ATOM 0 HB2 GLN A 56 -2.175 -0.348 -10.167 1.00 50.05 H new ATOM 0 HB3 GLN A 56 -2.257 -1.636 -8.982 1.00 50.05 H new ATOM 0 HG2 GLN A 56 -4.576 -0.581 -8.350 1.00 31.33 H new ATOM 0 HG3 GLN A 56 -4.451 0.224 -9.902 1.00 31.33 H new ATOM 0 HE21 GLN A 56 -6.521 -1.549 -9.235 1.00 13.13 H new ATOM 0 HE22 GLN A 56 -6.385 -2.992 -10.244 1.00 13.13 H new ATOM 844 N GLN A 57 -3.945 1.579 -7.182 1.00 65.24 N ATOM 845 CA GLN A 57 -4.834 2.721 -6.988 1.00 74.35 C ATOM 846 C GLN A 57 -4.337 3.683 -5.915 1.00 11.34 C ATOM 847 O GLN A 57 -4.893 4.760 -5.729 1.00 5.11 O ATOM 848 CB GLN A 57 -6.228 2.207 -6.630 1.00 13.01 C ATOM 849 CG GLN A 57 -7.284 3.056 -7.336 1.00 5.44 C ATOM 850 CD GLN A 57 -8.687 2.486 -7.172 1.00 64.54 C ATOM 851 OE1 GLN A 57 -9.277 1.967 -8.117 1.00 11.12 O ATOM 852 NE2 GLN A 57 -9.251 2.585 -5.974 1.00 41.23 N ATOM 0 H GLN A 57 -4.237 0.741 -6.679 1.00 65.24 H new ATOM 0 HA GLN A 57 -4.860 3.285 -7.920 1.00 74.35 H new ATOM 0 HB2 GLN A 57 -6.329 1.163 -6.926 1.00 13.01 H new ATOM 0 HB3 GLN A 57 -6.376 2.248 -5.551 1.00 13.01 H new ATOM 0 HG2 GLN A 57 -7.257 4.070 -6.938 1.00 5.44 H new ATOM 0 HG3 GLN A 57 -7.043 3.124 -8.397 1.00 5.44 H new ATOM 0 HE21 GLN A 57 -8.741 3.020 -5.205 1.00 41.23 H new ATOM 0 HE22 GLN A 57 -10.194 2.226 -5.823 1.00 41.23 H new ATOM 861 N PHE A 58 -3.316 3.274 -5.173 1.00 4.10 N ATOM 862 CA PHE A 58 -2.550 4.170 -4.318 1.00 74.52 C ATOM 863 C PHE A 58 -1.781 5.152 -5.198 1.00 31.14 C ATOM 864 O PHE A 58 -1.948 6.364 -5.064 1.00 43.22 O ATOM 865 CB PHE A 58 -1.608 3.401 -3.371 1.00 23.53 C ATOM 866 CG PHE A 58 -1.081 4.211 -2.202 1.00 25.40 C ATOM 867 CD1 PHE A 58 -1.945 4.993 -1.411 1.00 34.22 C ATOM 868 CD2 PHE A 58 0.296 4.190 -1.908 1.00 72.13 C ATOM 869 CE1 PHE A 58 -1.430 5.768 -0.362 1.00 61.13 C ATOM 870 CE2 PHE A 58 0.814 4.983 -0.873 1.00 51.33 C ATOM 871 CZ PHE A 58 -0.052 5.767 -0.099 1.00 54.35 C ATOM 0 H PHE A 58 -2.995 2.306 -5.148 1.00 4.10 H new ATOM 0 HA PHE A 58 -3.238 4.720 -3.676 1.00 74.52 H new ATOM 0 HB2 PHE A 58 -2.137 2.531 -2.983 1.00 23.53 H new ATOM 0 HB3 PHE A 58 -0.761 3.028 -3.947 1.00 23.53 H new ATOM 0 HD1 PHE A 58 -3.006 4.996 -1.613 1.00 34.22 H new ATOM 0 HD2 PHE A 58 0.958 3.559 -2.483 1.00 72.13 H new ATOM 0 HE1 PHE A 58 -2.095 6.366 0.244 1.00 61.13 H new ATOM 0 HE2 PHE A 58 1.875 4.989 -0.674 1.00 51.33 H new ATOM 0 HZ PHE A 58 0.343 6.373 0.703 1.00 54.35 H new ATOM 881 N LYS A 59 -0.888 4.645 -6.054 1.00 30.30 N ATOM 882 CA LYS A 59 -0.071 5.477 -6.934 1.00 30.50 C ATOM 883 C LYS A 59 -0.950 6.195 -7.958 1.00 33.32 C ATOM 884 O LYS A 59 -0.705 7.369 -8.226 1.00 42.34 O ATOM 885 CB LYS A 59 1.019 4.629 -7.616 1.00 53.33 C ATOM 886 CG LYS A 59 2.081 5.501 -8.310 1.00 5.21 C ATOM 887 CD LYS A 59 3.096 6.153 -7.347 1.00 62.41 C ATOM 888 CE LYS A 59 4.486 5.487 -7.280 1.00 70.44 C ATOM 889 NZ LYS A 59 5.183 5.500 -8.591 1.00 63.32 N ATOM 0 H LYS A 59 -0.713 3.645 -6.154 1.00 30.30 H new ATOM 0 HA LYS A 59 0.429 6.239 -6.336 1.00 30.50 H new ATOM 0 HB2 LYS A 59 1.501 3.994 -6.873 1.00 53.33 H new ATOM 0 HB3 LYS A 59 0.557 3.968 -8.350 1.00 53.33 H new ATOM 0 HG2 LYS A 59 2.623 4.888 -9.030 1.00 5.21 H new ATOM 0 HG3 LYS A 59 1.577 6.286 -8.874 1.00 5.21 H new ATOM 0 HD2 LYS A 59 3.228 7.195 -7.640 1.00 62.41 H new ATOM 0 HD3 LYS A 59 2.667 6.155 -6.345 1.00 62.41 H new ATOM 0 HE2 LYS A 59 5.098 6.004 -6.541 1.00 70.44 H new ATOM 0 HE3 LYS A 59 4.377 4.457 -6.940 1.00 70.44 H new ATOM 0 HZ1 LYS A 59 6.196 5.315 -8.447 1.00 63.32 H new ATOM 0 HZ2 LYS A 59 4.780 4.764 -9.206 1.00 63.32 H new ATOM 0 HZ3 LYS A 59 5.061 6.430 -9.040 1.00 63.32 H new ATOM 903 N ASP A 60 -1.966 5.521 -8.497 1.00 2.03 N ATOM 904 CA ASP A 60 -2.877 6.039 -9.516 1.00 5.43 C ATOM 905 C ASP A 60 -3.982 6.872 -8.861 1.00 10.42 C ATOM 906 O ASP A 60 -5.178 6.612 -9.016 1.00 63.14 O ATOM 907 CB ASP A 60 -3.424 4.869 -10.346 1.00 23.52 C ATOM 908 CG ASP A 60 -4.133 5.288 -11.629 1.00 34.23 C ATOM 909 OD1 ASP A 60 -4.080 6.476 -12.011 1.00 14.23 O ATOM 910 OD2 ASP A 60 -4.615 4.362 -12.331 1.00 54.12 O ATOM 0 H ASP A 60 -2.185 4.563 -8.225 1.00 2.03 H new ATOM 0 HA ASP A 60 -2.347 6.706 -10.197 1.00 5.43 H new ATOM 0 HB2 ASP A 60 -2.600 4.203 -10.601 1.00 23.52 H new ATOM 0 HB3 ASP A 60 -4.118 4.296 -9.731 1.00 23.52 H new ATOM 915 N SER A 61 -3.559 7.861 -8.079 1.00 31.43 N ATOM 916 CA SER A 61 -4.376 8.874 -7.439 1.00 74.24 C ATOM 917 C SER A 61 -3.550 10.162 -7.350 1.00 2.03 C ATOM 918 O SER A 61 -2.433 10.245 -7.868 1.00 72.43 O ATOM 919 CB SER A 61 -4.835 8.372 -6.057 1.00 23.13 C ATOM 920 OG SER A 61 -6.202 8.690 -5.841 1.00 2.30 O ATOM 0 H SER A 61 -2.569 7.979 -7.865 1.00 31.43 H new ATOM 0 HA SER A 61 -5.278 9.080 -8.015 1.00 74.24 H new ATOM 0 HB2 SER A 61 -4.691 7.294 -5.989 1.00 23.13 H new ATOM 0 HB3 SER A 61 -4.223 8.825 -5.277 1.00 23.13 H new ATOM 0 HG SER A 61 -6.522 8.229 -5.038 1.00 2.30 H new ATOM 926 N ASP A 62 -4.074 11.168 -6.659 1.00 73.12 N ATOM 927 CA ASP A 62 -3.434 12.453 -6.434 1.00 24.14 C ATOM 928 C ASP A 62 -3.488 12.754 -4.940 1.00 30.21 C ATOM 929 O ASP A 62 -4.570 12.878 -4.356 1.00 21.33 O ATOM 930 CB ASP A 62 -4.107 13.551 -7.264 1.00 11.04 C ATOM 931 CG ASP A 62 -3.365 14.882 -7.146 1.00 14.41 C ATOM 932 OD1 ASP A 62 -2.432 14.989 -6.329 1.00 30.52 O ATOM 933 OD2 ASP A 62 -3.713 15.818 -7.910 1.00 30.51 O ATOM 0 H ASP A 62 -4.994 11.105 -6.224 1.00 73.12 H new ATOM 0 HA ASP A 62 -2.393 12.419 -6.756 1.00 24.14 H new ATOM 0 HB2 ASP A 62 -4.144 13.246 -8.310 1.00 11.04 H new ATOM 0 HB3 ASP A 62 -5.138 13.678 -6.933 1.00 11.04 H new ATOM 938 N LEU A 63 -2.311 12.800 -4.321 1.00 43.33 N ATOM 939 CA LEU A 63 -2.060 12.988 -2.895 1.00 44.43 C ATOM 940 C LEU A 63 -1.698 14.454 -2.592 1.00 52.14 C ATOM 941 O LEU A 63 -0.965 14.740 -1.646 1.00 65.51 O ATOM 942 CB LEU A 63 -0.939 12.030 -2.445 1.00 70.32 C ATOM 943 CG LEU A 63 -1.126 10.558 -2.864 1.00 12.41 C ATOM 944 CD1 LEU A 63 0.139 9.746 -2.608 1.00 42.12 C ATOM 945 CD2 LEU A 63 -2.286 9.910 -2.112 1.00 21.42 C ATOM 0 H LEU A 63 -1.441 12.699 -4.844 1.00 43.33 H new ATOM 0 HA LEU A 63 -2.966 12.757 -2.335 1.00 44.43 H new ATOM 0 HB2 LEU A 63 0.008 12.389 -2.849 1.00 70.32 H new ATOM 0 HB3 LEU A 63 -0.859 12.075 -1.359 1.00 70.32 H new ATOM 0 HG LEU A 63 -1.345 10.561 -3.932 1.00 12.41 H new ATOM 0 HD11 LEU A 63 -0.024 8.712 -2.913 1.00 42.12 H new ATOM 0 HD12 LEU A 63 0.964 10.168 -3.181 1.00 42.12 H new ATOM 0 HD13 LEU A 63 0.382 9.776 -1.546 1.00 42.12 H new ATOM 0 HD21 LEU A 63 -2.392 8.873 -2.430 1.00 21.42 H new ATOM 0 HD22 LEU A 63 -2.089 9.943 -1.041 1.00 21.42 H new ATOM 0 HD23 LEU A 63 -3.207 10.451 -2.328 1.00 21.42 H new ATOM 957 N SER A 64 -2.118 15.395 -3.433 1.00 2.41 N ATOM 958 CA SER A 64 -1.813 16.818 -3.319 1.00 5.44 C ATOM 959 C SER A 64 -2.537 17.483 -2.134 1.00 21.20 C ATOM 960 O SER A 64 -2.080 18.521 -1.654 1.00 22.43 O ATOM 961 CB SER A 64 -2.181 17.468 -4.661 1.00 33.51 C ATOM 962 OG SER A 64 -2.005 18.866 -4.684 1.00 24.12 O ATOM 0 H SER A 64 -2.701 15.180 -4.242 1.00 2.41 H new ATOM 0 HA SER A 64 -0.752 16.956 -3.109 1.00 5.44 H new ATOM 0 HB2 SER A 64 -1.574 17.022 -5.449 1.00 33.51 H new ATOM 0 HB3 SER A 64 -3.221 17.238 -4.892 1.00 33.51 H new ATOM 0 HG SER A 64 -2.256 19.213 -5.566 1.00 24.12 H new ATOM 968 N HIS A 65 -3.646 16.917 -1.646 1.00 2.12 N ATOM 969 CA HIS A 65 -4.517 17.530 -0.642 1.00 4.24 C ATOM 970 C HIS A 65 -4.732 16.623 0.572 1.00 14.10 C ATOM 971 O HIS A 65 -5.626 16.889 1.377 1.00 50.32 O ATOM 972 CB HIS A 65 -5.853 17.942 -1.294 1.00 63.52 C ATOM 973 CG HIS A 65 -5.794 19.130 -2.225 1.00 53.15 C ATOM 974 ND1 HIS A 65 -6.771 19.483 -3.127 1.00 33.44 N ATOM 975 CD2 HIS A 65 -4.860 20.128 -2.237 1.00 31.44 C ATOM 976 CE1 HIS A 65 -6.461 20.678 -3.650 1.00 24.33 C ATOM 977 NE2 HIS A 65 -5.278 21.094 -3.164 1.00 3.31 N ATOM 0 H HIS A 65 -3.969 15.997 -1.947 1.00 2.12 H new ATOM 0 HA HIS A 65 -4.023 18.424 -0.263 1.00 4.24 H new ATOM 0 HB2 HIS A 65 -6.242 17.089 -1.849 1.00 63.52 H new ATOM 0 HB3 HIS A 65 -6.569 18.161 -0.502 1.00 63.52 H new ATOM 0 HD2 HIS A 65 -3.961 20.166 -1.640 1.00 31.44 H new ATOM 0 HE1 HIS A 65 -7.070 21.224 -4.355 1.00 24.33 H new ATOM 0 HE2 HIS A 65 -4.781 21.947 -3.420 1.00 3.31 H new ATOM 985 N VAL A 66 -3.952 15.552 0.722 1.00 23.20 N ATOM 986 CA VAL A 66 -4.049 14.689 1.888 1.00 21.53 C ATOM 987 C VAL A 66 -3.087 15.186 2.966 1.00 11.11 C ATOM 988 O VAL A 66 -1.969 15.600 2.655 1.00 62.21 O ATOM 989 CB VAL A 66 -3.835 13.225 1.470 1.00 34.32 C ATOM 990 CG1 VAL A 66 -2.425 12.832 1.030 1.00 70.43 C ATOM 991 CG2 VAL A 66 -4.271 12.340 2.645 1.00 32.34 C ATOM 0 H VAL A 66 -3.245 15.265 0.045 1.00 23.20 H new ATOM 0 HA VAL A 66 -5.046 14.729 2.327 1.00 21.53 H new ATOM 0 HB VAL A 66 -4.434 13.083 0.570 1.00 34.32 H new ATOM 0 HG11 VAL A 66 -2.409 11.776 0.762 1.00 70.43 H new ATOM 0 HG12 VAL A 66 -2.133 13.430 0.167 1.00 70.43 H new ATOM 0 HG13 VAL A 66 -1.726 13.010 1.847 1.00 70.43 H new ATOM 0 HG21 VAL A 66 -4.132 11.291 2.382 1.00 32.34 H new ATOM 0 HG22 VAL A 66 -3.669 12.577 3.522 1.00 32.34 H new ATOM 0 HG23 VAL A 66 -5.322 12.522 2.867 1.00 32.34 H new ATOM 1001 N GLN A 67 -3.508 15.150 4.235 1.00 51.04 N ATOM 1002 CA GLN A 67 -2.670 15.599 5.343 1.00 24.22 C ATOM 1003 C GLN A 67 -1.721 14.487 5.806 1.00 13.11 C ATOM 1004 O GLN A 67 -0.595 14.771 6.216 1.00 53.54 O ATOM 1005 CB GLN A 67 -3.488 16.110 6.553 1.00 20.44 C ATOM 1006 CG GLN A 67 -4.908 16.630 6.288 1.00 11.24 C ATOM 1007 CD GLN A 67 -5.920 15.485 6.271 1.00 62.22 C ATOM 1008 OE1 GLN A 67 -6.215 14.906 5.229 1.00 14.24 O ATOM 1009 NE2 GLN A 67 -6.426 15.072 7.422 1.00 2.34 N ATOM 0 H GLN A 67 -4.428 14.813 4.517 1.00 51.04 H new ATOM 0 HA GLN A 67 -2.092 16.438 4.955 1.00 24.22 H new ATOM 0 HB2 GLN A 67 -3.558 15.298 7.277 1.00 20.44 H new ATOM 0 HB3 GLN A 67 -2.921 16.911 7.027 1.00 20.44 H new ATOM 0 HG2 GLN A 67 -5.184 17.351 7.057 1.00 11.24 H new ATOM 0 HG3 GLN A 67 -4.934 17.156 5.334 1.00 11.24 H new ATOM 0 HE21 GLN A 67 -6.182 15.552 8.288 1.00 2.34 H new ATOM 0 HE22 GLN A 67 -7.060 14.273 7.443 1.00 2.34 H new ATOM 1018 N ASN A 68 -2.177 13.229 5.783 1.00 12.34 N ATOM 1019 CA ASN A 68 -1.578 12.095 6.493 1.00 53.21 C ATOM 1020 C ASN A 68 -1.597 10.907 5.545 1.00 5.03 C ATOM 1021 O ASN A 68 -2.674 10.476 5.136 1.00 31.14 O ATOM 1022 CB ASN A 68 -2.325 11.728 7.802 1.00 21.41 C ATOM 1023 CG ASN A 68 -3.391 12.716 8.259 1.00 44.31 C ATOM 1024 OD1 ASN A 68 -4.576 12.654 7.674 1.00 24.13 O flip ATOM 1025 ND2 ASN A 68 -3.161 13.564 9.113 1.00 72.24 N flip ATOM 0 H ASN A 68 -3.005 12.964 5.249 1.00 12.34 H new ATOM 0 HA ASN A 68 -0.566 12.369 6.789 1.00 53.21 H new ATOM 0 HB2 ASN A 68 -2.794 10.753 7.669 1.00 21.41 H new ATOM 0 HB3 ASN A 68 -1.590 11.622 8.600 1.00 21.41 H new ATOM 0 HD21 ASN A 68 -2.244 13.604 9.558 1.00 72.24 H new ATOM 0 HD22 ASN A 68 -3.886 14.230 9.379 1.00 72.24 H new ATOM 1032 N LYS A 69 -0.434 10.361 5.187 1.00 50.15 N ATOM 1033 CA LYS A 69 -0.349 9.390 4.093 1.00 25.32 C ATOM 1034 C LYS A 69 -1.101 8.096 4.380 1.00 70.51 C ATOM 1035 O LYS A 69 -1.726 7.530 3.480 1.00 54.22 O ATOM 1036 CB LYS A 69 1.110 9.034 3.800 1.00 22.03 C ATOM 1037 CG LYS A 69 2.028 10.219 3.519 1.00 64.45 C ATOM 1038 CD LYS A 69 1.528 11.216 2.475 1.00 12.10 C ATOM 1039 CE LYS A 69 2.729 12.080 2.065 1.00 41.05 C ATOM 1040 NZ LYS A 69 2.473 13.519 2.235 1.00 41.44 N ATOM 0 H LYS A 69 0.458 10.572 5.635 1.00 50.15 H new ATOM 0 HA LYS A 69 -0.814 9.874 3.234 1.00 25.32 H new ATOM 0 HB2 LYS A 69 1.509 8.480 4.650 1.00 22.03 H new ATOM 0 HB3 LYS A 69 1.137 8.363 2.941 1.00 22.03 H new ATOM 0 HG2 LYS A 69 2.195 10.754 4.454 1.00 64.45 H new ATOM 0 HG3 LYS A 69 2.995 9.836 3.194 1.00 64.45 H new ATOM 0 HD2 LYS A 69 1.116 10.695 1.611 1.00 12.10 H new ATOM 0 HD3 LYS A 69 0.730 11.835 2.885 1.00 12.10 H new ATOM 0 HE2 LYS A 69 3.597 11.796 2.660 1.00 41.05 H new ATOM 0 HE3 LYS A 69 2.978 11.879 1.023 1.00 41.05 H new ATOM 0 HZ1 LYS A 69 3.314 14.058 1.945 1.00 41.44 H new ATOM 0 HZ2 LYS A 69 1.662 13.799 1.647 1.00 41.44 H new ATOM 0 HZ3 LYS A 69 2.262 13.718 3.234 1.00 41.44 H new ATOM 1054 N SER A 70 -1.029 7.627 5.623 1.00 24.34 N ATOM 1055 CA SER A 70 -1.717 6.435 6.106 1.00 64.44 C ATOM 1056 C SER A 70 -3.214 6.674 5.960 1.00 21.41 C ATOM 1057 O SER A 70 -3.918 5.781 5.520 1.00 23.30 O ATOM 1058 CB SER A 70 -1.371 6.082 7.560 1.00 72.14 C ATOM 1059 OG SER A 70 -0.508 7.045 8.157 1.00 41.23 O ATOM 0 H SER A 70 -0.471 8.082 6.345 1.00 24.34 H new ATOM 0 HA SER A 70 -1.390 5.583 5.511 1.00 64.44 H new ATOM 0 HB2 SER A 70 -2.289 6.009 8.143 1.00 72.14 H new ATOM 0 HB3 SER A 70 -0.895 5.102 7.591 1.00 72.14 H new ATOM 0 HG SER A 70 -0.315 6.783 9.081 1.00 41.23 H new ATOM 1065 N ALA A 71 -3.708 7.883 6.259 1.00 23.41 N ATOM 1066 CA ALA A 71 -5.127 8.190 6.162 1.00 2.30 C ATOM 1067 C ALA A 71 -5.652 8.103 4.724 1.00 42.14 C ATOM 1068 O ALA A 71 -6.854 7.951 4.521 1.00 5.03 O ATOM 1069 CB ALA A 71 -5.408 9.573 6.760 1.00 12.23 C ATOM 0 H ALA A 71 -3.134 8.666 6.572 1.00 23.41 H new ATOM 0 HA ALA A 71 -5.663 7.434 6.735 1.00 2.30 H new ATOM 0 HB1 ALA A 71 -6.473 9.793 6.683 1.00 12.23 H new ATOM 0 HB2 ALA A 71 -5.111 9.583 7.809 1.00 12.23 H new ATOM 0 HB3 ALA A 71 -4.841 10.327 6.215 1.00 12.23 H new ATOM 1075 N PHE A 72 -4.776 8.162 3.720 1.00 50.12 N ATOM 1076 CA PHE A 72 -5.185 7.947 2.336 1.00 53.14 C ATOM 1077 C PHE A 72 -5.319 6.452 2.097 1.00 44.34 C ATOM 1078 O PHE A 72 -6.323 5.958 1.583 1.00 73.44 O ATOM 1079 CB PHE A 72 -4.157 8.515 1.352 1.00 43.12 C ATOM 1080 CG PHE A 72 -4.763 8.798 -0.004 1.00 25.33 C ATOM 1081 CD1 PHE A 72 -4.891 7.776 -0.965 1.00 52.43 C ATOM 1082 CD2 PHE A 72 -5.227 10.091 -0.293 1.00 62.13 C ATOM 1083 CE1 PHE A 72 -5.476 8.059 -2.212 1.00 73.22 C ATOM 1084 CE2 PHE A 72 -5.784 10.381 -1.543 1.00 43.04 C ATOM 1085 CZ PHE A 72 -5.920 9.361 -2.497 1.00 41.01 C ATOM 0 H PHE A 72 -3.782 8.356 3.841 1.00 50.12 H new ATOM 0 HA PHE A 72 -6.133 8.459 2.172 1.00 53.14 H new ATOM 0 HB2 PHE A 72 -3.736 9.434 1.759 1.00 43.12 H new ATOM 0 HB3 PHE A 72 -3.334 7.809 1.241 1.00 43.12 H new ATOM 0 HD1 PHE A 72 -4.541 6.778 -0.745 1.00 52.43 H new ATOM 0 HD2 PHE A 72 -5.153 10.867 0.455 1.00 62.13 H new ATOM 0 HE1 PHE A 72 -5.584 7.277 -2.949 1.00 73.22 H new ATOM 0 HE2 PHE A 72 -6.108 11.385 -1.773 1.00 43.04 H new ATOM 0 HZ PHE A 72 -6.368 9.578 -3.455 1.00 41.01 H new ATOM 1095 N LEU A 73 -4.254 5.741 2.470 1.00 63.35 N ATOM 1096 CA LEU A 73 -4.079 4.324 2.235 1.00 64.34 C ATOM 1097 C LEU A 73 -5.221 3.577 2.920 1.00 12.42 C ATOM 1098 O LEU A 73 -5.900 2.762 2.296 1.00 54.22 O ATOM 1099 CB LEU A 73 -2.688 3.923 2.758 1.00 70.23 C ATOM 1100 CG LEU A 73 -2.268 2.507 2.335 1.00 43.01 C ATOM 1101 CD1 LEU A 73 -1.848 2.471 0.864 1.00 71.33 C ATOM 1102 CD2 LEU A 73 -1.065 2.036 3.148 1.00 24.13 C ATOM 0 H LEU A 73 -3.465 6.161 2.962 1.00 63.35 H new ATOM 0 HA LEU A 73 -4.118 4.068 1.176 1.00 64.34 H new ATOM 0 HB2 LEU A 73 -1.950 4.638 2.394 1.00 70.23 H new ATOM 0 HB3 LEU A 73 -2.684 3.987 3.846 1.00 70.23 H new ATOM 0 HG LEU A 73 -3.131 1.862 2.503 1.00 43.01 H new ATOM 0 HD11 LEU A 73 -1.556 1.456 0.594 1.00 71.33 H new ATOM 0 HD12 LEU A 73 -2.683 2.787 0.239 1.00 71.33 H new ATOM 0 HD13 LEU A 73 -1.005 3.144 0.710 1.00 71.33 H new ATOM 0 HD21 LEU A 73 -0.784 1.031 2.833 1.00 24.13 H new ATOM 0 HD22 LEU A 73 -0.228 2.715 2.986 1.00 24.13 H new ATOM 0 HD23 LEU A 73 -1.323 2.025 4.207 1.00 24.13 H new ATOM 1114 N CYS A 74 -5.487 3.931 4.176 1.00 43.21 N ATOM 1115 CA CYS A 74 -6.470 3.310 5.041 1.00 33.11 C ATOM 1116 C CYS A 74 -7.870 3.420 4.425 1.00 2.02 C ATOM 1117 O CYS A 74 -8.726 2.576 4.695 1.00 13.43 O ATOM 1118 CB CYS A 74 -6.377 3.967 6.439 1.00 11.10 C ATOM 1119 SG CYS A 74 -7.367 5.481 6.640 1.00 63.35 S ATOM 0 H CYS A 74 -4.994 4.698 4.634 1.00 43.21 H new ATOM 0 HA CYS A 74 -6.269 2.244 5.151 1.00 33.11 H new ATOM 0 HB2 CYS A 74 -6.694 3.241 7.188 1.00 11.10 H new ATOM 0 HB3 CYS A 74 -5.333 4.203 6.645 1.00 11.10 H new ATOM 0 HG CYS A 74 -7.190 6.255 5.611 1.00 63.35 H new ATOM 1125 N GLY A 75 -8.109 4.441 3.591 1.00 2.31 N ATOM 1126 CA GLY A 75 -9.388 4.609 2.915 1.00 34.13 C ATOM 1127 C GLY A 75 -9.517 3.652 1.737 1.00 74.35 C ATOM 1128 O GLY A 75 -10.474 2.875 1.673 1.00 32.34 O ATOM 0 H GLY A 75 -7.424 5.164 3.372 1.00 2.31 H new ATOM 0 HA2 GLY A 75 -10.201 4.434 3.620 1.00 34.13 H new ATOM 0 HA3 GLY A 75 -9.485 5.637 2.565 1.00 34.13 H new ATOM 1132 N VAL A 76 -8.532 3.655 0.831 1.00 4.24 N ATOM 1133 CA VAL A 76 -8.543 2.808 -0.363 1.00 14.01 C ATOM 1134 C VAL A 76 -8.667 1.330 0.041 1.00 71.24 C ATOM 1135 O VAL A 76 -9.434 0.592 -0.580 1.00 11.24 O ATOM 1136 CB VAL A 76 -7.302 3.077 -1.240 1.00 1.44 C ATOM 1137 CG1 VAL A 76 -7.243 2.168 -2.478 1.00 3.14 C ATOM 1138 CG2 VAL A 76 -7.189 4.539 -1.705 1.00 21.10 C ATOM 0 H VAL A 76 -7.705 4.246 0.907 1.00 4.24 H new ATOM 0 HA VAL A 76 -9.413 3.056 -0.970 1.00 14.01 H new ATOM 0 HB VAL A 76 -6.461 2.853 -0.584 1.00 1.44 H new ATOM 0 HG11 VAL A 76 -6.350 2.401 -3.058 1.00 3.14 H new ATOM 0 HG12 VAL A 76 -7.209 1.125 -2.162 1.00 3.14 H new ATOM 0 HG13 VAL A 76 -8.128 2.332 -3.093 1.00 3.14 H new ATOM 0 HG21 VAL A 76 -6.295 4.658 -2.317 1.00 21.10 H new ATOM 0 HG22 VAL A 76 -8.068 4.803 -2.292 1.00 21.10 H new ATOM 0 HG23 VAL A 76 -7.124 5.193 -0.836 1.00 21.10 H new ATOM 1148 N MET A 77 -7.978 0.886 1.103 1.00 30.50 N ATOM 1149 CA MET A 77 -8.119 -0.486 1.595 1.00 21.24 C ATOM 1150 C MET A 77 -9.578 -0.811 1.904 1.00 30.22 C ATOM 1151 O MET A 77 -10.070 -1.883 1.550 1.00 30.13 O ATOM 1152 CB MET A 77 -7.308 -0.728 2.876 1.00 62.31 C ATOM 1153 CG MET A 77 -5.798 -0.702 2.659 1.00 54.43 C ATOM 1154 SD MET A 77 -4.865 -1.641 3.890 1.00 52.42 S ATOM 1155 CE MET A 77 -3.238 -0.867 3.726 1.00 12.13 C ATOM 0 H MET A 77 -7.321 1.458 1.634 1.00 30.50 H new ATOM 0 HA MET A 77 -7.743 -1.129 0.799 1.00 21.24 H new ATOM 0 HB2 MET A 77 -7.574 0.030 3.612 1.00 62.31 H new ATOM 0 HB3 MET A 77 -7.589 -1.693 3.297 1.00 62.31 H new ATOM 0 HG2 MET A 77 -5.576 -1.099 1.669 1.00 54.43 H new ATOM 0 HG3 MET A 77 -5.457 0.333 2.671 1.00 54.43 H new ATOM 0 HE1 MET A 77 -2.545 -1.322 4.434 1.00 12.13 H new ATOM 0 HE2 MET A 77 -2.867 -1.011 2.711 1.00 12.13 H new ATOM 0 HE3 MET A 77 -3.320 0.200 3.934 1.00 12.13 H new ATOM 1165 N LYS A 78 -10.271 0.105 2.578 1.00 22.30 N ATOM 1166 CA LYS A 78 -11.603 -0.149 3.083 1.00 5.11 C ATOM 1167 C LYS A 78 -12.536 -0.396 1.909 1.00 62.51 C ATOM 1168 O LYS A 78 -13.152 -1.464 1.848 1.00 41.34 O ATOM 1169 CB LYS A 78 -12.020 0.993 4.026 1.00 21.42 C ATOM 1170 CG LYS A 78 -12.929 0.497 5.161 1.00 74.22 C ATOM 1171 CD LYS A 78 -14.329 0.079 4.693 1.00 54.25 C ATOM 1172 CE LYS A 78 -15.174 -0.492 5.833 1.00 23.31 C ATOM 1173 NZ LYS A 78 -16.603 -0.574 5.466 1.00 71.14 N ATOM 0 H LYS A 78 -9.919 1.040 2.785 1.00 22.30 H new ATOM 0 HA LYS A 78 -11.646 -1.052 3.691 1.00 5.11 H new ATOM 0 HB2 LYS A 78 -11.129 1.456 4.451 1.00 21.42 H new ATOM 0 HB3 LYS A 78 -12.539 1.763 3.456 1.00 21.42 H new ATOM 0 HG2 LYS A 78 -12.452 -0.351 5.652 1.00 74.22 H new ATOM 0 HG3 LYS A 78 -13.026 1.285 5.908 1.00 74.22 H new ATOM 0 HD2 LYS A 78 -14.838 0.941 4.262 1.00 54.25 H new ATOM 0 HD3 LYS A 78 -14.238 -0.666 3.902 1.00 54.25 H new ATOM 0 HE2 LYS A 78 -14.808 -1.485 6.095 1.00 23.31 H new ATOM 0 HE3 LYS A 78 -15.061 0.134 6.718 1.00 23.31 H new ATOM 0 HZ1 LYS A 78 -17.120 -1.103 6.198 1.00 71.14 H new ATOM 0 HZ2 LYS A 78 -16.997 0.385 5.389 1.00 71.14 H new ATOM 0 HZ3 LYS A 78 -16.699 -1.063 4.553 1.00 71.14 H new ATOM 1187 N THR A 79 -12.588 0.537 0.961 1.00 10.31 N ATOM 1188 CA THR A 79 -13.480 0.410 -0.179 1.00 5.33 C ATOM 1189 C THR A 79 -13.094 -0.806 -1.032 1.00 2.12 C ATOM 1190 O THR A 79 -13.985 -1.512 -1.496 1.00 22.33 O ATOM 1191 CB THR A 79 -13.545 1.751 -0.930 1.00 34.10 C ATOM 1192 OG1 THR A 79 -14.663 1.816 -1.790 1.00 31.12 O ATOM 1193 CG2 THR A 79 -12.266 2.109 -1.675 1.00 45.05 C ATOM 0 H THR A 79 -12.023 1.386 0.963 1.00 10.31 H new ATOM 0 HA THR A 79 -14.501 0.203 0.143 1.00 5.33 H new ATOM 0 HB THR A 79 -13.660 2.505 -0.151 1.00 34.10 H new ATOM 0 HG1 THR A 79 -14.673 2.682 -2.249 1.00 31.12 H new ATOM 0 HG21 THR A 79 -12.394 3.068 -2.178 1.00 45.05 H new ATOM 0 HG22 THR A 79 -11.440 2.178 -0.967 1.00 45.05 H new ATOM 0 HG23 THR A 79 -12.047 1.338 -2.414 1.00 45.05 H new ATOM 1201 N TYR A 80 -11.803 -1.129 -1.199 1.00 43.21 N ATOM 1202 CA TYR A 80 -11.416 -2.353 -1.899 1.00 64.35 C ATOM 1203 C TYR A 80 -11.980 -3.615 -1.264 1.00 13.22 C ATOM 1204 O TYR A 80 -12.440 -4.497 -1.980 1.00 72.22 O ATOM 1205 CB TYR A 80 -9.894 -2.485 -2.012 1.00 74.33 C ATOM 1206 CG TYR A 80 -9.408 -2.021 -3.357 1.00 51.35 C ATOM 1207 CD1 TYR A 80 -9.803 -2.729 -4.502 1.00 4.34 C ATOM 1208 CD2 TYR A 80 -8.640 -0.857 -3.479 1.00 63.53 C ATOM 1209 CE1 TYR A 80 -9.422 -2.285 -5.770 1.00 32.13 C ATOM 1210 CE2 TYR A 80 -8.232 -0.414 -4.750 1.00 11.30 C ATOM 1211 CZ TYR A 80 -8.621 -1.134 -5.908 1.00 42.01 C ATOM 1212 OH TYR A 80 -8.251 -0.738 -7.154 1.00 50.23 O ATOM 0 H TYR A 80 -11.022 -0.566 -0.863 1.00 43.21 H new ATOM 0 HA TYR A 80 -11.849 -2.258 -2.895 1.00 64.35 H new ATOM 0 HB2 TYR A 80 -9.416 -1.899 -1.227 1.00 74.33 H new ATOM 0 HB3 TYR A 80 -9.604 -3.524 -1.856 1.00 74.33 H new ATOM 0 HD1 TYR A 80 -10.404 -3.621 -4.402 1.00 4.34 H new ATOM 0 HD2 TYR A 80 -8.361 -0.299 -2.597 1.00 63.53 H new ATOM 0 HE1 TYR A 80 -9.742 -2.826 -6.648 1.00 32.13 H new ATOM 0 HE2 TYR A 80 -7.623 0.473 -4.844 1.00 11.30 H new ATOM 0 HH TYR A 80 -8.941 -1.000 -7.799 1.00 50.23 H new ATOM 1222 N ARG A 81 -11.916 -3.737 0.061 1.00 33.44 N ATOM 1223 CA ARG A 81 -12.401 -4.923 0.754 1.00 12.41 C ATOM 1224 C ARG A 81 -13.930 -4.916 0.877 1.00 3.30 C ATOM 1225 O ARG A 81 -14.507 -5.941 1.230 1.00 5.34 O ATOM 1226 CB ARG A 81 -11.647 -4.991 2.089 1.00 2.13 C ATOM 1227 CG ARG A 81 -11.593 -6.363 2.767 1.00 42.02 C ATOM 1228 CD ARG A 81 -12.762 -6.671 3.716 1.00 32.44 C ATOM 1229 NE ARG A 81 -12.273 -7.366 4.920 1.00 61.11 N ATOM 1230 CZ ARG A 81 -12.876 -8.333 5.619 1.00 52.43 C ATOM 1231 NH1 ARG A 81 -14.141 -8.666 5.397 1.00 64.55 N ATOM 1232 NH2 ARG A 81 -12.212 -8.964 6.578 1.00 54.34 N ATOM 0 H ARG A 81 -11.530 -3.022 0.677 1.00 33.44 H new ATOM 0 HA ARG A 81 -12.198 -5.836 0.195 1.00 12.41 H new ATOM 0 HB2 ARG A 81 -10.625 -4.651 1.923 1.00 2.13 H new ATOM 0 HB3 ARG A 81 -12.109 -4.286 2.780 1.00 2.13 H new ATOM 0 HG2 ARG A 81 -11.561 -7.131 1.994 1.00 42.02 H new ATOM 0 HG3 ARG A 81 -10.661 -6.437 3.328 1.00 42.02 H new ATOM 0 HD2 ARG A 81 -13.262 -5.745 4.000 1.00 32.44 H new ATOM 0 HD3 ARG A 81 -13.501 -7.289 3.206 1.00 32.44 H new ATOM 0 HE ARG A 81 -11.359 -7.072 5.264 1.00 61.11 H new ATOM 0 HH11 ARG A 81 -14.678 -8.180 4.678 1.00 64.55 H new ATOM 0 HH12 ARG A 81 -14.577 -9.408 5.945 1.00 64.55 H new ATOM 0 HH21 ARG A 81 -11.245 -8.711 6.780 1.00 54.34 H new ATOM 0 HH22 ARG A 81 -12.669 -9.702 7.114 1.00 54.34 H new ATOM 1246 N GLN A 82 -14.612 -3.805 0.587 1.00 12.31 N ATOM 1247 CA GLN A 82 -16.060 -3.681 0.605 1.00 24.50 C ATOM 1248 C GLN A 82 -16.526 -3.039 -0.706 1.00 50.01 C ATOM 1249 O GLN A 82 -16.869 -1.853 -0.765 1.00 32.24 O ATOM 1250 CB GLN A 82 -16.474 -2.899 1.854 1.00 43.04 C ATOM 1251 CG GLN A 82 -16.648 -3.793 3.094 1.00 13.20 C ATOM 1252 CD GLN A 82 -17.859 -4.739 3.066 1.00 65.34 C ATOM 1253 OE1 GLN A 82 -17.848 -5.783 3.718 1.00 12.32 O ATOM 1254 NE2 GLN A 82 -18.958 -4.386 2.425 1.00 21.51 N ATOM 0 H GLN A 82 -14.146 -2.937 0.324 1.00 12.31 H new ATOM 0 HA GLN A 82 -16.546 -4.655 0.665 1.00 24.50 H new ATOM 0 HB2 GLN A 82 -15.723 -2.138 2.065 1.00 43.04 H new ATOM 0 HB3 GLN A 82 -17.410 -2.377 1.655 1.00 43.04 H new ATOM 0 HG2 GLN A 82 -15.745 -4.391 3.218 1.00 13.20 H new ATOM 0 HG3 GLN A 82 -16.730 -3.153 3.973 1.00 13.20 H new ATOM 0 HE21 GLN A 82 -18.977 -3.523 1.882 1.00 21.51 H new ATOM 0 HE22 GLN A 82 -19.788 -4.977 2.473 1.00 21.51 H new