USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 28 HIS : no HD1:sc= 0.843 K(o=2.2,f=-4.7!) USER MOD Set 1.2: A 53 TYR OH : rot -56:sc= 1.33 USER MOD Set 2.1: A 7 THR OG1 : rot -130:sc= -0.498 USER MOD Set 2.2: A 42 HIS : no HD1:sc= -0.199 K(o=-0.7,f=-5.3!) USER MOD Set 3.1: A 10 ASN : amide:sc= 0 K(o=-1.3,f=-4.5) USER MOD Set 3.2: A 13 MET CE :methyl -136:sc= -1.27 (180deg=-3.7!) USER MOD Single : A 6 MET CE :methyl 145:sc= -0.149 (180deg=-0.908) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN :FLIP amide:sc= -0.252 F(o=-3!,f=-0.25) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.473 X(o=-0.47,f=-0.72) USER MOD Single : A 20 THR OG1 : rot -68:sc= 0.24 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 48 TYR OH : rot -156:sc= -0.337 USER MOD Single : A 50 MET CE :methyl -122:sc= -1.36 (180deg=-2.64!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.0392 X(o=-0.039,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.35) USER MOD Single : A 61 THR OG1 : rot 140:sc= 1.23 USER MOD Single : A 62 THR OG1 : rot -140:sc= -0.144 USER MOD Single : A 63 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.19) USER MOD Single : A 67 SER OG : rot 71:sc= -1.13 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.102 USER MOD Single : A 70 MET CE :methyl -129:sc= 0 (180deg=-1.15) USER MOD Single : A 72 ASN : amide:sc= -0.445 K(o=-0.44,f=-2.8!) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 49 N PRO A 5 9.188 -8.583 -6.559 1.00 52.40 N ATOM 50 CA PRO A 5 9.576 -7.727 -7.691 1.00 74.22 C ATOM 51 C PRO A 5 9.142 -6.254 -7.505 1.00 62.13 C ATOM 52 O PRO A 5 8.735 -5.595 -8.467 1.00 14.31 O ATOM 53 CB PRO A 5 8.840 -8.368 -8.894 1.00 73.12 C ATOM 54 CG PRO A 5 8.172 -9.603 -8.364 1.00 61.22 C ATOM 55 CD PRO A 5 8.006 -9.387 -6.886 1.00 73.14 C ATOM 0 HA PRO A 5 10.658 -7.681 -7.811 1.00 74.22 H new ATOM 0 HB2 PRO A 5 8.108 -7.679 -9.315 1.00 73.12 H new ATOM 0 HB3 PRO A 5 9.540 -8.616 -9.692 1.00 73.12 H new ATOM 0 HG2 PRO A 5 7.207 -9.761 -8.845 1.00 61.22 H new ATOM 0 HG3 PRO A 5 8.776 -10.488 -8.563 1.00 61.22 H new ATOM 0 HD2 PRO A 5 7.079 -8.863 -6.652 1.00 73.14 H new ATOM 0 HD3 PRO A 5 7.988 -10.328 -6.336 1.00 73.14 H new ATOM 63 N MET A 6 9.244 -5.739 -6.269 1.00 32.44 N ATOM 64 CA MET A 6 8.878 -4.343 -5.958 1.00 3.44 C ATOM 65 C MET A 6 7.386 -4.066 -6.226 1.00 73.44 C ATOM 66 O MET A 6 7.008 -2.952 -6.587 1.00 52.31 O ATOM 67 CB MET A 6 9.751 -3.371 -6.771 1.00 21.12 C ATOM 68 CG MET A 6 11.244 -3.506 -6.495 1.00 62.42 C ATOM 69 SD MET A 6 12.249 -2.454 -7.565 1.00 14.31 S ATOM 70 CE MET A 6 11.630 -0.825 -7.142 1.00 1.12 C ATOM 0 H MET A 6 9.578 -6.269 -5.464 1.00 32.44 H new ATOM 0 HA MET A 6 9.056 -4.187 -4.894 1.00 3.44 H new ATOM 0 HB2 MET A 6 9.571 -3.537 -7.833 1.00 21.12 H new ATOM 0 HB3 MET A 6 9.441 -2.349 -6.552 1.00 21.12 H new ATOM 0 HG2 MET A 6 11.441 -3.252 -5.454 1.00 62.42 H new ATOM 0 HG3 MET A 6 11.542 -4.546 -6.631 1.00 62.42 H new ATOM 0 HE1 MET A 6 12.447 -0.104 -7.180 1.00 1.12 H new ATOM 0 HE2 MET A 6 10.856 -0.534 -7.852 1.00 1.12 H new ATOM 0 HE3 MET A 6 11.210 -0.845 -6.136 1.00 1.12 H new ATOM 80 N THR A 7 6.543 -5.075 -5.996 1.00 52.21 N ATOM 81 CA THR A 7 5.103 -4.996 -6.319 1.00 70.34 C ATOM 82 C THR A 7 4.417 -3.759 -5.712 1.00 73.53 C ATOM 83 O THR A 7 3.792 -2.975 -6.428 1.00 41.30 O ATOM 84 CB THR A 7 4.347 -6.259 -5.846 1.00 72.44 C ATOM 85 OG1 THR A 7 4.543 -6.449 -4.439 1.00 31.31 O ATOM 86 CG2 THR A 7 4.823 -7.497 -6.599 1.00 51.34 C ATOM 0 H THR A 7 6.828 -5.964 -5.585 1.00 52.21 H new ATOM 0 HA THR A 7 5.056 -4.917 -7.405 1.00 70.34 H new ATOM 0 HB THR A 7 3.286 -6.115 -6.052 1.00 72.44 H new ATOM 0 HG1 THR A 7 4.821 -7.373 -4.269 1.00 31.31 H new ATOM 0 HG21 THR A 7 4.275 -8.371 -6.246 1.00 51.34 H new ATOM 0 HG22 THR A 7 4.646 -7.364 -7.666 1.00 51.34 H new ATOM 0 HG23 THR A 7 5.889 -7.642 -6.423 1.00 51.34 H new ATOM 94 N PHE A 8 4.535 -3.586 -4.396 1.00 74.51 N ATOM 95 CA PHE A 8 3.898 -2.453 -3.705 1.00 14.25 C ATOM 96 C PHE A 8 4.380 -1.100 -4.256 1.00 21.14 C ATOM 97 O PHE A 8 3.573 -0.238 -4.613 1.00 1.10 O ATOM 98 CB PHE A 8 4.161 -2.524 -2.193 1.00 71.04 C ATOM 99 CG PHE A 8 3.557 -1.375 -1.417 1.00 63.05 C ATOM 100 CD1 PHE A 8 2.191 -1.332 -1.162 1.00 73.42 C ATOM 101 CD2 PHE A 8 4.352 -0.338 -0.944 1.00 55.22 C ATOM 102 CE1 PHE A 8 1.635 -0.283 -0.452 1.00 42.22 C ATOM 103 CE2 PHE A 8 3.798 0.713 -0.234 1.00 12.11 C ATOM 104 CZ PHE A 8 2.439 0.740 0.013 1.00 4.12 C ATOM 0 H PHE A 8 5.062 -4.210 -3.785 1.00 74.51 H new ATOM 0 HA PHE A 8 2.826 -2.527 -3.888 1.00 14.25 H new ATOM 0 HB2 PHE A 8 3.761 -3.462 -1.807 1.00 71.04 H new ATOM 0 HB3 PHE A 8 5.237 -2.542 -2.021 1.00 71.04 H new ATOM 0 HD1 PHE A 8 1.556 -2.128 -1.523 1.00 73.42 H new ATOM 0 HD2 PHE A 8 5.415 -0.352 -1.133 1.00 55.22 H new ATOM 0 HE1 PHE A 8 0.572 -0.264 -0.261 1.00 42.22 H new ATOM 0 HE2 PHE A 8 4.428 1.512 0.127 1.00 12.11 H new ATOM 0 HZ PHE A 8 2.006 1.559 0.568 1.00 4.12 H new ATOM 114 N TYR A 9 5.698 -0.923 -4.325 1.00 12.32 N ATOM 115 CA TYR A 9 6.286 0.336 -4.803 1.00 51.32 C ATOM 116 C TYR A 9 5.902 0.613 -6.265 1.00 73.43 C ATOM 117 O TYR A 9 5.669 1.760 -6.646 1.00 3.12 O ATOM 118 CB TYR A 9 7.815 0.302 -4.645 1.00 71.43 C ATOM 119 CG TYR A 9 8.510 1.599 -5.029 1.00 70.23 C ATOM 120 CD1 TYR A 9 8.280 2.771 -4.315 1.00 31.21 C ATOM 121 CD2 TYR A 9 9.394 1.653 -6.104 1.00 2.34 C ATOM 122 CE1 TYR A 9 8.907 3.954 -4.660 1.00 44.13 C ATOM 123 CE2 TYR A 9 10.024 2.832 -6.453 1.00 42.15 C ATOM 124 CZ TYR A 9 9.779 3.979 -5.729 1.00 3.35 C ATOM 125 OH TYR A 9 10.404 5.155 -6.077 1.00 63.11 O ATOM 0 H TYR A 9 6.381 -1.631 -4.058 1.00 12.32 H new ATOM 0 HA TYR A 9 5.886 1.148 -4.195 1.00 51.32 H new ATOM 0 HB2 TYR A 9 8.057 0.066 -3.609 1.00 71.43 H new ATOM 0 HB3 TYR A 9 8.215 -0.506 -5.257 1.00 71.43 H new ATOM 0 HD1 TYR A 9 7.600 2.756 -3.476 1.00 31.21 H new ATOM 0 HD2 TYR A 9 9.590 0.757 -6.675 1.00 2.34 H new ATOM 0 HE1 TYR A 9 8.715 4.854 -4.095 1.00 44.13 H new ATOM 0 HE2 TYR A 9 10.706 2.855 -7.290 1.00 42.15 H new ATOM 0 HH TYR A 9 10.986 5.000 -6.850 1.00 63.11 H new ATOM 135 N ASN A 10 5.818 -0.448 -7.068 1.00 44.14 N ATOM 136 CA ASN A 10 5.440 -0.342 -8.484 1.00 31.42 C ATOM 137 C ASN A 10 4.150 0.479 -8.671 1.00 10.43 C ATOM 138 O ASN A 10 4.078 1.361 -9.528 1.00 51.35 O ATOM 139 CB ASN A 10 5.253 -1.746 -9.078 1.00 33.42 C ATOM 140 CG ASN A 10 4.774 -1.719 -10.516 1.00 25.41 C ATOM 141 OD1 ASN A 10 5.141 -0.845 -11.289 1.00 50.02 O ATOM 142 ND2 ASN A 10 3.941 -2.673 -10.885 1.00 21.31 N ATOM 0 H ASN A 10 6.008 -1.402 -6.761 1.00 44.14 H new ATOM 0 HA ASN A 10 6.244 0.177 -9.006 1.00 31.42 H new ATOM 0 HB2 ASN A 10 6.198 -2.286 -9.025 1.00 33.42 H new ATOM 0 HB3 ASN A 10 4.536 -2.299 -8.472 1.00 33.42 H new ATOM 0 HD21 ASN A 10 3.583 -2.696 -11.840 1.00 21.31 H new ATOM 0 HD22 ASN A 10 3.655 -3.387 -10.215 1.00 21.31 H new ATOM 149 N PHE A 11 3.144 0.190 -7.852 1.00 22.53 N ATOM 150 CA PHE A 11 1.843 0.858 -7.955 1.00 14.13 C ATOM 151 C PHE A 11 1.934 2.359 -7.624 1.00 11.22 C ATOM 152 O PHE A 11 1.415 3.201 -8.360 1.00 55.54 O ATOM 153 CB PHE A 11 0.831 0.182 -7.019 1.00 33.41 C ATOM 154 CG PHE A 11 -0.552 0.786 -7.071 1.00 22.10 C ATOM 155 CD1 PHE A 11 -1.322 0.691 -8.224 1.00 65.22 C ATOM 156 CD2 PHE A 11 -1.086 1.441 -5.968 1.00 62.42 C ATOM 157 CE1 PHE A 11 -2.591 1.235 -8.275 1.00 4.43 C ATOM 158 CE2 PHE A 11 -2.355 1.987 -6.015 1.00 45.54 C ATOM 159 CZ PHE A 11 -3.108 1.883 -7.170 1.00 33.22 C ATOM 0 H PHE A 11 3.201 -0.504 -7.106 1.00 22.53 H new ATOM 0 HA PHE A 11 1.511 0.767 -8.989 1.00 14.13 H new ATOM 0 HB2 PHE A 11 0.764 -0.875 -7.275 1.00 33.41 H new ATOM 0 HB3 PHE A 11 1.203 0.239 -5.996 1.00 33.41 H new ATOM 0 HD1 PHE A 11 -0.923 0.186 -9.091 1.00 65.22 H new ATOM 0 HD2 PHE A 11 -0.502 1.525 -5.063 1.00 62.42 H new ATOM 0 HE1 PHE A 11 -3.178 1.154 -9.178 1.00 4.43 H new ATOM 0 HE2 PHE A 11 -2.758 2.494 -5.151 1.00 45.54 H new ATOM 0 HZ PHE A 11 -4.100 2.308 -7.208 1.00 33.22 H new ATOM 169 N ILE A 12 2.609 2.687 -6.526 1.00 21.23 N ATOM 170 CA ILE A 12 2.633 4.065 -6.010 1.00 73.02 C ATOM 171 C ILE A 12 3.499 5.013 -6.873 1.00 25.43 C ATOM 172 O ILE A 12 3.351 6.234 -6.797 1.00 12.10 O ATOM 173 CB ILE A 12 3.121 4.094 -4.532 1.00 12.04 C ATOM 174 CG1 ILE A 12 2.834 5.460 -3.875 1.00 72.34 C ATOM 175 CG2 ILE A 12 4.608 3.752 -4.441 1.00 64.33 C ATOM 176 CD1 ILE A 12 1.359 5.793 -3.763 1.00 14.04 C ATOM 0 H ILE A 12 3.149 2.022 -5.972 1.00 21.23 H new ATOM 0 HA ILE A 12 1.607 4.430 -6.059 1.00 73.02 H new ATOM 0 HB ILE A 12 2.562 3.335 -3.984 1.00 12.04 H new ATOM 0 HG12 ILE A 12 3.275 5.472 -2.878 1.00 72.34 H new ATOM 0 HG13 ILE A 12 3.329 6.241 -4.452 1.00 72.34 H new ATOM 0 HG21 ILE A 12 4.924 3.779 -3.398 1.00 64.33 H new ATOM 0 HG22 ILE A 12 4.777 2.754 -4.846 1.00 64.33 H new ATOM 0 HG23 ILE A 12 5.184 4.479 -5.014 1.00 64.33 H new ATOM 0 HD11 ILE A 12 1.241 6.768 -3.291 1.00 14.04 H new ATOM 0 HD12 ILE A 12 0.914 5.815 -4.758 1.00 14.04 H new ATOM 0 HD13 ILE A 12 0.860 5.035 -3.159 1.00 14.04 H new ATOM 188 N MET A 13 4.386 4.453 -7.706 1.00 21.25 N ATOM 189 CA MET A 13 5.282 5.268 -8.552 1.00 54.43 C ATOM 190 C MET A 13 4.509 6.264 -9.437 1.00 65.11 C ATOM 191 O MET A 13 4.940 7.406 -9.624 1.00 4.52 O ATOM 192 CB MET A 13 6.159 4.375 -9.442 1.00 41.01 C ATOM 193 CG MET A 13 7.106 3.467 -8.670 1.00 33.41 C ATOM 194 SD MET A 13 8.289 2.621 -9.737 1.00 14.24 S ATOM 195 CE MET A 13 7.198 1.799 -10.896 1.00 63.41 C ATOM 0 H MET A 13 4.506 3.446 -7.815 1.00 21.25 H new ATOM 0 HA MET A 13 5.912 5.839 -7.870 1.00 54.43 H new ATOM 0 HB2 MET A 13 5.514 3.760 -10.069 1.00 41.01 H new ATOM 0 HB3 MET A 13 6.743 5.008 -10.110 1.00 41.01 H new ATOM 0 HG2 MET A 13 7.648 4.058 -7.932 1.00 33.41 H new ATOM 0 HG3 MET A 13 6.525 2.726 -8.121 1.00 33.41 H new ATOM 0 HE1 MET A 13 7.539 0.776 -11.053 1.00 63.41 H new ATOM 0 HE2 MET A 13 6.184 1.786 -10.495 1.00 63.41 H new ATOM 0 HE3 MET A 13 7.206 2.334 -11.846 1.00 63.41 H new ATOM 205 N GLY A 14 3.374 5.829 -9.981 1.00 2.11 N ATOM 206 CA GLY A 14 2.552 6.699 -10.819 1.00 54.14 C ATOM 207 C GLY A 14 2.089 7.961 -10.094 1.00 43.43 C ATOM 208 O GLY A 14 2.049 9.046 -10.675 1.00 14.30 O ATOM 0 H GLY A 14 3.005 4.886 -9.858 1.00 2.11 H new ATOM 0 HA2 GLY A 14 3.120 6.983 -11.705 1.00 54.14 H new ATOM 0 HA3 GLY A 14 1.680 6.144 -11.164 1.00 54.14 H new ATOM 212 N PHE A 15 1.769 7.822 -8.809 1.00 32.02 N ATOM 213 CA PHE A 15 1.307 8.951 -7.991 1.00 42.11 C ATOM 214 C PHE A 15 2.447 9.940 -7.695 1.00 50.24 C ATOM 215 O PHE A 15 2.206 11.062 -7.248 1.00 72.25 O ATOM 216 CB PHE A 15 0.706 8.438 -6.675 1.00 33.25 C ATOM 217 CG PHE A 15 -0.487 7.532 -6.868 1.00 24.30 C ATOM 218 CD1 PHE A 15 -0.314 6.168 -7.067 1.00 13.25 C ATOM 219 CD2 PHE A 15 -1.777 8.044 -6.853 1.00 11.41 C ATOM 220 CE1 PHE A 15 -1.404 5.337 -7.244 1.00 51.31 C ATOM 221 CE2 PHE A 15 -2.870 7.216 -7.029 1.00 31.35 C ATOM 222 CZ PHE A 15 -2.682 5.861 -7.225 1.00 12.13 C ATOM 0 H PHE A 15 1.820 6.936 -8.306 1.00 32.02 H new ATOM 0 HA PHE A 15 0.542 9.481 -8.559 1.00 42.11 H new ATOM 0 HB2 PHE A 15 1.474 7.900 -6.120 1.00 33.25 H new ATOM 0 HB3 PHE A 15 0.409 9.291 -6.064 1.00 33.25 H new ATOM 0 HD1 PHE A 15 0.683 5.753 -7.084 1.00 13.25 H new ATOM 0 HD2 PHE A 15 -1.929 9.103 -6.702 1.00 11.41 H new ATOM 0 HE1 PHE A 15 -1.257 4.278 -7.397 1.00 51.31 H new ATOM 0 HE2 PHE A 15 -3.869 7.627 -7.013 1.00 31.35 H new ATOM 0 HZ PHE A 15 -3.534 5.212 -7.363 1.00 12.13 H new ATOM 232 N GLN A 16 3.688 9.514 -7.932 1.00 64.55 N ATOM 233 CA GLN A 16 4.856 10.381 -7.738 1.00 73.01 C ATOM 234 C GLN A 16 5.062 11.324 -8.937 1.00 0.44 C ATOM 235 O GLN A 16 5.599 12.423 -8.783 1.00 45.35 O ATOM 236 CB GLN A 16 6.117 9.533 -7.511 1.00 31.23 C ATOM 237 CG GLN A 16 7.395 10.353 -7.330 1.00 40.33 C ATOM 238 CD GLN A 16 7.378 11.233 -6.086 1.00 23.01 C ATOM 239 OE1 GLN A 16 6.751 10.761 -5.029 1.00 70.44 O flip ATOM 240 NE2 GLN A 16 7.947 12.320 -6.067 1.00 54.51 N flip ATOM 0 H GLN A 16 3.913 8.574 -8.259 1.00 64.55 H new ATOM 0 HA GLN A 16 4.673 10.994 -6.855 1.00 73.01 H new ATOM 0 HB2 GLN A 16 5.969 8.910 -6.629 1.00 31.23 H new ATOM 0 HB3 GLN A 16 6.247 8.860 -8.358 1.00 31.23 H new ATOM 0 HG2 GLN A 16 8.248 9.676 -7.276 1.00 40.33 H new ATOM 0 HG3 GLN A 16 7.542 10.981 -8.208 1.00 40.33 H new ATOM 0 HE21 GLN A 16 8.425 12.660 -6.901 1.00 54.51 H new ATOM 0 HE22 GLN A 16 7.942 12.883 -5.217 1.00 54.51 H new ATOM 249 N ASN A 17 4.634 10.892 -10.125 1.00 23.12 N ATOM 250 CA ASN A 17 4.771 11.707 -11.340 1.00 54.30 C ATOM 251 C ASN A 17 4.063 13.061 -11.164 1.00 70.30 C ATOM 252 O ASN A 17 4.667 14.119 -11.344 1.00 1.35 O ATOM 253 CB ASN A 17 4.195 10.954 -12.550 1.00 72.21 C ATOM 254 CG ASN A 17 4.489 11.652 -13.866 1.00 23.52 C ATOM 255 OD1 ASN A 17 3.731 12.504 -14.317 1.00 32.35 O ATOM 256 ND2 ASN A 17 5.593 11.307 -14.494 1.00 0.22 N ATOM 0 H ASN A 17 4.191 9.986 -10.274 1.00 23.12 H new ATOM 0 HA ASN A 17 5.830 11.894 -11.516 1.00 54.30 H new ATOM 0 HB2 ASN A 17 4.609 9.946 -12.577 1.00 72.21 H new ATOM 0 HB3 ASN A 17 3.116 10.852 -12.430 1.00 72.21 H new ATOM 0 HD21 ASN A 17 5.836 11.752 -15.379 1.00 0.22 H new ATOM 0 HD22 ASN A 17 6.205 10.595 -14.096 1.00 0.22 H new ATOM 263 N ASP A 18 2.781 13.015 -10.815 1.00 23.12 N ATOM 264 CA ASP A 18 2.031 14.219 -10.453 1.00 52.43 C ATOM 265 C ASP A 18 2.284 14.591 -8.983 1.00 72.44 C ATOM 266 O ASP A 18 2.002 13.802 -8.079 1.00 53.13 O ATOM 267 CB ASP A 18 0.530 14.005 -10.685 1.00 5.15 C ATOM 268 CG ASP A 18 0.188 13.834 -12.155 1.00 11.32 C ATOM 269 OD1 ASP A 18 -0.064 14.855 -12.830 1.00 21.43 O ATOM 270 OD2 ASP A 18 0.164 12.684 -12.641 1.00 71.04 O ATOM 0 H ASP A 18 2.235 12.154 -10.774 1.00 23.12 H new ATOM 0 HA ASP A 18 2.374 15.037 -11.087 1.00 52.43 H new ATOM 0 HB2 ASP A 18 0.202 13.123 -10.134 1.00 5.15 H new ATOM 0 HB3 ASP A 18 -0.021 14.855 -10.283 1.00 5.15 H new ATOM 275 N ASN A 19 2.816 15.790 -8.748 1.00 4.32 N ATOM 276 CA ASN A 19 3.122 16.246 -7.383 1.00 60.34 C ATOM 277 C ASN A 19 1.849 16.365 -6.515 1.00 13.40 C ATOM 278 O ASN A 19 1.281 17.446 -6.345 1.00 13.14 O ATOM 279 CB ASN A 19 3.898 17.573 -7.422 1.00 23.23 C ATOM 280 CG ASN A 19 3.253 18.607 -8.327 1.00 21.21 C ATOM 281 OD1 ASN A 19 3.530 18.667 -9.520 1.00 74.40 O ATOM 282 ND2 ASN A 19 2.395 19.433 -7.771 1.00 65.33 N ATOM 0 H ASN A 19 3.045 16.464 -9.478 1.00 4.32 H new ATOM 0 HA ASN A 19 3.753 15.491 -6.914 1.00 60.34 H new ATOM 0 HB2 ASN A 19 3.970 17.976 -6.412 1.00 23.23 H new ATOM 0 HB3 ASN A 19 4.916 17.383 -7.763 1.00 23.23 H new ATOM 0 HD21 ASN A 19 1.938 20.150 -8.335 1.00 65.33 H new ATOM 0 HD22 ASN A 19 2.186 19.357 -6.776 1.00 65.33 H new ATOM 289 N THR A 20 1.412 15.229 -5.980 1.00 23.23 N ATOM 290 CA THR A 20 0.185 15.142 -5.170 1.00 4.03 C ATOM 291 C THR A 20 0.495 14.708 -3.729 1.00 70.51 C ATOM 292 O THR A 20 1.596 14.230 -3.450 1.00 25.24 O ATOM 293 CB THR A 20 -0.797 14.107 -5.779 1.00 24.24 C ATOM 294 OG1 THR A 20 -0.182 12.806 -5.795 1.00 4.24 O ATOM 295 CG2 THR A 20 -1.209 14.497 -7.194 1.00 34.45 C ATOM 0 H THR A 20 1.894 14.337 -6.092 1.00 23.23 H new ATOM 0 HA THR A 20 -0.263 16.136 -5.165 1.00 4.03 H new ATOM 0 HB THR A 20 -1.693 14.085 -5.159 1.00 24.24 H new ATOM 0 HG1 THR A 20 0.559 12.802 -6.436 1.00 4.24 H new ATOM 0 HG21 THR A 20 -1.897 13.751 -7.591 1.00 34.45 H new ATOM 0 HG22 THR A 20 -1.700 15.470 -7.175 1.00 34.45 H new ATOM 0 HG23 THR A 20 -0.325 14.550 -7.829 1.00 34.45 H new ATOM 303 N PRO A 21 -0.467 14.854 -2.788 1.00 21.23 N ATOM 304 CA PRO A 21 -0.322 14.308 -1.424 1.00 13.24 C ATOM 305 C PRO A 21 -0.064 12.790 -1.441 1.00 21.14 C ATOM 306 O PRO A 21 0.593 12.243 -0.554 1.00 14.31 O ATOM 307 CB PRO A 21 -1.670 14.637 -0.749 1.00 43.33 C ATOM 308 CG PRO A 21 -2.601 14.966 -1.871 1.00 20.45 C ATOM 309 CD PRO A 21 -1.747 15.568 -2.953 1.00 53.14 C ATOM 0 HA PRO A 21 0.531 14.735 -0.896 1.00 13.24 H new ATOM 0 HB2 PRO A 21 -2.037 13.790 -0.169 1.00 43.33 H new ATOM 0 HB3 PRO A 21 -1.571 15.476 -0.061 1.00 43.33 H new ATOM 0 HG2 PRO A 21 -3.112 14.072 -2.229 1.00 20.45 H new ATOM 0 HG3 PRO A 21 -3.371 15.666 -1.547 1.00 20.45 H new ATOM 0 HD2 PRO A 21 -2.175 15.409 -3.943 1.00 53.14 H new ATOM 0 HD3 PRO A 21 -1.630 16.644 -2.825 1.00 53.14 H new ATOM 317 N PHE A 22 -0.579 12.119 -2.472 1.00 14.50 N ATOM 318 CA PHE A 22 -0.297 10.698 -2.698 1.00 13.24 C ATOM 319 C PHE A 22 1.178 10.498 -3.074 1.00 10.32 C ATOM 320 O PHE A 22 1.824 9.543 -2.637 1.00 60.14 O ATOM 321 CB PHE A 22 -1.204 10.144 -3.804 1.00 40.14 C ATOM 322 CG PHE A 22 -2.674 10.172 -3.459 1.00 21.04 C ATOM 323 CD1 PHE A 22 -3.408 11.347 -3.564 1.00 44.42 C ATOM 324 CD2 PHE A 22 -3.323 9.022 -3.029 1.00 74.33 C ATOM 325 CE1 PHE A 22 -4.753 11.373 -3.246 1.00 71.33 C ATOM 326 CE2 PHE A 22 -4.668 9.044 -2.711 1.00 60.12 C ATOM 327 CZ PHE A 22 -5.384 10.221 -2.819 1.00 25.34 C ATOM 0 H PHE A 22 -1.197 12.538 -3.168 1.00 14.50 H new ATOM 0 HA PHE A 22 -0.498 10.155 -1.775 1.00 13.24 H new ATOM 0 HB2 PHE A 22 -1.043 10.720 -4.715 1.00 40.14 H new ATOM 0 HB3 PHE A 22 -0.911 9.117 -4.021 1.00 40.14 H new ATOM 0 HD1 PHE A 22 -2.922 12.251 -3.898 1.00 44.42 H new ATOM 0 HD2 PHE A 22 -2.770 8.099 -2.942 1.00 74.33 H new ATOM 0 HE1 PHE A 22 -5.310 12.294 -3.331 1.00 71.33 H new ATOM 0 HE2 PHE A 22 -5.159 8.142 -2.378 1.00 60.12 H new ATOM 0 HZ PHE A 22 -6.435 10.240 -2.570 1.00 25.34 H new ATOM 337 N GLY A 23 1.703 11.412 -3.889 1.00 11.35 N ATOM 338 CA GLY A 23 3.119 11.390 -4.233 1.00 1.31 C ATOM 339 C GLY A 23 4.025 11.586 -3.020 1.00 11.33 C ATOM 340 O GLY A 23 5.127 11.037 -2.963 1.00 54.42 O ATOM 0 H GLY A 23 1.172 12.170 -4.319 1.00 11.35 H new ATOM 0 HA2 GLY A 23 3.358 10.439 -4.709 1.00 1.31 H new ATOM 0 HA3 GLY A 23 3.323 12.173 -4.964 1.00 1.31 H new ATOM 344 N ILE A 24 3.559 12.370 -2.045 1.00 51.42 N ATOM 345 CA ILE A 24 4.301 12.587 -0.793 1.00 32.41 C ATOM 346 C ILE A 24 4.573 11.255 -0.076 1.00 31.33 C ATOM 347 O ILE A 24 5.645 11.053 0.497 1.00 42.03 O ATOM 348 CB ILE A 24 3.535 13.541 0.163 1.00 30.21 C ATOM 349 CG1 ILE A 24 3.290 14.900 -0.518 1.00 63.21 C ATOM 350 CG2 ILE A 24 4.295 13.727 1.480 1.00 63.24 C ATOM 351 CD1 ILE A 24 4.558 15.639 -0.904 1.00 53.14 C ATOM 0 H ILE A 24 2.670 12.868 -2.095 1.00 51.42 H new ATOM 0 HA ILE A 24 5.251 13.050 -1.061 1.00 32.41 H new ATOM 0 HB ILE A 24 2.571 13.088 0.393 1.00 30.21 H new ATOM 0 HG12 ILE A 24 2.688 14.742 -1.413 1.00 63.21 H new ATOM 0 HG13 ILE A 24 2.705 15.530 0.153 1.00 63.21 H new ATOM 0 HG21 ILE A 24 3.736 14.400 2.131 1.00 63.24 H new ATOM 0 HG22 ILE A 24 4.413 12.761 1.972 1.00 63.24 H new ATOM 0 HG23 ILE A 24 5.278 14.153 1.276 1.00 63.24 H new ATOM 0 HD11 ILE A 24 4.298 16.586 -1.377 1.00 53.14 H new ATOM 0 HD12 ILE A 24 5.153 15.831 -0.011 1.00 53.14 H new ATOM 0 HD13 ILE A 24 5.135 15.032 -1.601 1.00 53.14 H new ATOM 363 N LEU A 25 3.596 10.344 -0.125 1.00 24.42 N ATOM 364 CA LEU A 25 3.759 8.996 0.435 1.00 14.42 C ATOM 365 C LEU A 25 4.949 8.287 -0.241 1.00 74.33 C ATOM 366 O LEU A 25 5.888 7.850 0.428 1.00 11.11 O ATOM 367 CB LEU A 25 2.448 8.194 0.253 1.00 71.14 C ATOM 368 CG LEU A 25 2.334 6.847 1.009 1.00 14.04 C ATOM 369 CD1 LEU A 25 3.173 5.751 0.355 1.00 41.23 C ATOM 370 CD2 LEU A 25 2.721 7.017 2.477 1.00 3.12 C ATOM 0 H LEU A 25 2.683 10.514 -0.547 1.00 24.42 H new ATOM 0 HA LEU A 25 3.971 9.065 1.502 1.00 14.42 H new ATOM 0 HB2 LEU A 25 1.618 8.828 0.564 1.00 71.14 H new ATOM 0 HB3 LEU A 25 2.317 7.997 -0.811 1.00 71.14 H new ATOM 0 HG LEU A 25 1.291 6.534 0.956 1.00 14.04 H new ATOM 0 HD11 LEU A 25 3.063 4.824 0.918 1.00 41.23 H new ATOM 0 HD12 LEU A 25 2.834 5.596 -0.669 1.00 41.23 H new ATOM 0 HD13 LEU A 25 4.221 6.050 0.349 1.00 41.23 H new ATOM 0 HD21 LEU A 25 2.634 6.059 2.990 1.00 3.12 H new ATOM 0 HD22 LEU A 25 3.749 7.372 2.543 1.00 3.12 H new ATOM 0 HD23 LEU A 25 2.056 7.742 2.947 1.00 3.12 H new ATOM 382 N ALA A 26 4.911 8.208 -1.575 1.00 23.42 N ATOM 383 CA ALA A 26 5.999 7.592 -2.357 1.00 74.54 C ATOM 384 C ALA A 26 7.346 8.293 -2.111 1.00 53.00 C ATOM 385 O ALA A 26 8.406 7.666 -2.138 1.00 64.12 O ATOM 386 CB ALA A 26 5.663 7.620 -3.845 1.00 23.33 C ATOM 0 H ALA A 26 4.140 8.562 -2.141 1.00 23.42 H new ATOM 0 HA ALA A 26 6.095 6.558 -2.026 1.00 74.54 H new ATOM 0 HB1 ALA A 26 6.475 7.162 -4.410 1.00 23.33 H new ATOM 0 HB2 ALA A 26 4.741 7.066 -4.020 1.00 23.33 H new ATOM 0 HB3 ALA A 26 5.533 8.652 -4.169 1.00 23.33 H new ATOM 392 N GLU A 27 7.287 9.599 -1.870 1.00 32.41 N ATOM 393 CA GLU A 27 8.487 10.402 -1.622 1.00 64.13 C ATOM 394 C GLU A 27 9.124 10.022 -0.271 1.00 4.41 C ATOM 395 O GLU A 27 10.306 9.676 -0.203 1.00 63.54 O ATOM 396 CB GLU A 27 8.116 11.900 -1.653 1.00 11.32 C ATOM 397 CG GLU A 27 9.280 12.856 -1.927 1.00 14.23 C ATOM 398 CD GLU A 27 10.309 12.913 -0.807 1.00 31.44 C ATOM 399 OE1 GLU A 27 9.948 13.333 0.314 1.00 33.53 O ATOM 400 OE2 GLU A 27 11.490 12.578 -1.053 1.00 31.43 O ATOM 0 H GLU A 27 6.416 10.130 -1.840 1.00 32.41 H new ATOM 0 HA GLU A 27 9.221 10.202 -2.403 1.00 64.13 H new ATOM 0 HB2 GLU A 27 7.354 12.053 -2.417 1.00 11.32 H new ATOM 0 HB3 GLU A 27 7.666 12.166 -0.696 1.00 11.32 H new ATOM 0 HG2 GLU A 27 9.777 12.553 -2.848 1.00 14.23 H new ATOM 0 HG3 GLU A 27 8.883 13.857 -2.094 1.00 14.23 H new ATOM 407 N HIS A 28 8.327 10.059 0.799 1.00 12.43 N ATOM 408 CA HIS A 28 8.845 9.803 2.148 1.00 10.34 C ATOM 409 C HIS A 28 9.275 8.338 2.343 1.00 52.25 C ATOM 410 O HIS A 28 10.250 8.068 3.041 1.00 25.20 O ATOM 411 CB HIS A 28 7.818 10.189 3.217 1.00 24.22 C ATOM 412 CG HIS A 28 8.356 10.072 4.615 1.00 50.51 C ATOM 413 ND1 HIS A 28 7.988 9.068 5.486 1.00 72.53 N ATOM 414 CD2 HIS A 28 9.259 10.831 5.288 1.00 33.50 C ATOM 415 CE1 HIS A 28 8.638 9.214 6.623 1.00 3.03 C ATOM 416 NE2 HIS A 28 9.413 10.270 6.531 1.00 50.31 N ATOM 0 H HIS A 28 7.328 10.262 0.761 1.00 12.43 H new ATOM 0 HA HIS A 28 9.731 10.428 2.261 1.00 10.34 H new ATOM 0 HB2 HIS A 28 7.489 11.214 3.044 1.00 24.22 H new ATOM 0 HB3 HIS A 28 6.940 9.551 3.117 1.00 24.22 H new ATOM 0 HD2 HIS A 28 9.762 11.711 4.915 1.00 33.50 H new ATOM 0 HE1 HIS A 28 8.548 8.572 7.487 1.00 3.03 H new ATOM 0 HE2 HIS A 28 10.030 10.617 7.265 1.00 50.31 H new ATOM 425 N VAL A 29 8.553 7.389 1.748 1.00 74.12 N ATOM 426 CA VAL A 29 8.945 5.974 1.847 1.00 14.40 C ATOM 427 C VAL A 29 10.276 5.715 1.118 1.00 63.30 C ATOM 428 O VAL A 29 11.011 4.788 1.450 1.00 61.52 O ATOM 429 CB VAL A 29 7.856 5.015 1.298 1.00 22.24 C ATOM 430 CG1 VAL A 29 6.546 5.186 2.066 1.00 52.22 C ATOM 431 CG2 VAL A 29 7.641 5.224 -0.200 1.00 53.33 C ATOM 0 H VAL A 29 7.709 7.563 1.202 1.00 74.12 H new ATOM 0 HA VAL A 29 9.068 5.766 2.910 1.00 14.40 H new ATOM 0 HB VAL A 29 8.205 3.993 1.444 1.00 22.24 H new ATOM 0 HG11 VAL A 29 5.797 4.504 1.664 1.00 52.22 H new ATOM 0 HG12 VAL A 29 6.711 4.964 3.120 1.00 52.22 H new ATOM 0 HG13 VAL A 29 6.195 6.213 1.962 1.00 52.22 H new ATOM 0 HG21 VAL A 29 6.872 4.538 -0.556 1.00 53.33 H new ATOM 0 HG22 VAL A 29 7.324 6.251 -0.382 1.00 53.33 H new ATOM 0 HG23 VAL A 29 8.573 5.032 -0.732 1.00 53.33 H new ATOM 441 N SER A 30 10.583 6.557 0.130 1.00 72.13 N ATOM 442 CA SER A 30 11.867 6.486 -0.583 1.00 62.11 C ATOM 443 C SER A 30 13.006 7.072 0.264 1.00 73.13 C ATOM 444 O SER A 30 14.183 6.841 -0.016 1.00 42.33 O ATOM 445 CB SER A 30 11.775 7.240 -1.914 1.00 1.11 C ATOM 446 OG SER A 30 13.011 7.200 -2.621 1.00 52.50 O ATOM 0 H SER A 30 9.962 7.297 -0.197 1.00 72.13 H new ATOM 0 HA SER A 30 12.085 5.435 -0.774 1.00 62.11 H new ATOM 0 HB2 SER A 30 10.988 6.802 -2.528 1.00 1.11 H new ATOM 0 HB3 SER A 30 11.494 8.277 -1.728 1.00 1.11 H new ATOM 0 HG SER A 30 12.920 7.688 -3.466 1.00 52.50 H new ATOM 452 N GLU A 31 12.643 7.846 1.286 1.00 51.31 N ATOM 453 CA GLU A 31 13.615 8.424 2.221 1.00 43.24 C ATOM 454 C GLU A 31 14.285 7.321 3.061 1.00 52.14 C ATOM 455 O GLU A 31 15.474 7.400 3.378 1.00 14.25 O ATOM 456 CB GLU A 31 12.908 9.471 3.113 1.00 72.31 C ATOM 457 CG GLU A 31 13.786 10.144 4.174 1.00 21.45 C ATOM 458 CD GLU A 31 13.745 9.445 5.530 1.00 21.22 C ATOM 459 OE1 GLU A 31 12.705 9.533 6.220 1.00 63.40 O ATOM 460 OE2 GLU A 31 14.750 8.812 5.912 1.00 44.30 O ATOM 0 H GLU A 31 11.674 8.091 1.491 1.00 51.31 H new ATOM 0 HA GLU A 31 14.405 8.924 1.661 1.00 43.24 H new ATOM 0 HB2 GLU A 31 12.490 10.245 2.470 1.00 72.31 H new ATOM 0 HB3 GLU A 31 12.070 8.987 3.615 1.00 72.31 H new ATOM 0 HG2 GLU A 31 14.816 10.170 3.819 1.00 21.45 H new ATOM 0 HG3 GLU A 31 13.465 11.178 4.297 1.00 21.45 H new ATOM 467 N ASP A 32 13.520 6.282 3.394 1.00 42.14 N ATOM 468 CA ASP A 32 14.048 5.134 4.137 1.00 64.12 C ATOM 469 C ASP A 32 14.785 4.156 3.195 1.00 54.21 C ATOM 470 O ASP A 32 14.743 4.299 1.969 1.00 70.21 O ATOM 471 CB ASP A 32 12.901 4.418 4.871 1.00 60.30 C ATOM 472 CG ASP A 32 13.397 3.335 5.820 1.00 75.23 C ATOM 473 OD1 ASP A 32 13.701 3.656 6.987 1.00 41.21 O ATOM 474 OD2 ASP A 32 13.511 2.163 5.395 1.00 52.42 O ATOM 0 H ASP A 32 12.530 6.210 3.161 1.00 42.14 H new ATOM 0 HA ASP A 32 14.769 5.495 4.870 1.00 64.12 H new ATOM 0 HB2 ASP A 32 12.321 5.150 5.433 1.00 60.30 H new ATOM 0 HB3 ASP A 32 12.228 3.973 4.138 1.00 60.30 H new ATOM 479 N LYS A 33 15.463 3.167 3.780 1.00 44.14 N ATOM 480 CA LYS A 33 16.208 2.160 3.012 1.00 23.54 C ATOM 481 C LYS A 33 15.273 1.299 2.145 1.00 61.32 C ATOM 482 O LYS A 33 15.662 0.831 1.070 1.00 55.12 O ATOM 483 CB LYS A 33 17.006 1.264 3.965 1.00 72.41 C ATOM 484 CG LYS A 33 18.017 2.021 4.821 1.00 62.41 C ATOM 485 CD LYS A 33 18.748 1.091 5.783 1.00 44.01 C ATOM 486 CE LYS A 33 19.740 1.841 6.666 1.00 73.04 C ATOM 487 NZ LYS A 33 20.414 0.932 7.629 1.00 5.43 N ATOM 0 H LYS A 33 15.513 3.039 4.791 1.00 44.14 H new ATOM 0 HA LYS A 33 16.890 2.687 2.345 1.00 23.54 H new ATOM 0 HB2 LYS A 33 16.312 0.737 4.620 1.00 72.41 H new ATOM 0 HB3 LYS A 33 17.532 0.507 3.383 1.00 72.41 H new ATOM 0 HG2 LYS A 33 18.740 2.519 4.175 1.00 62.41 H new ATOM 0 HG3 LYS A 33 17.505 2.800 5.386 1.00 62.41 H new ATOM 0 HD2 LYS A 33 18.021 0.577 6.412 1.00 44.01 H new ATOM 0 HD3 LYS A 33 19.276 0.325 5.215 1.00 44.01 H new ATOM 0 HE2 LYS A 33 20.488 2.328 6.041 1.00 73.04 H new ATOM 0 HE3 LYS A 33 19.219 2.628 7.212 1.00 73.04 H new ATOM 0 HZ1 LYS A 33 21.081 1.477 8.212 1.00 5.43 H new ATOM 0 HZ2 LYS A 33 19.702 0.486 8.242 1.00 5.43 H new ATOM 0 HZ3 LYS A 33 20.932 0.196 7.108 1.00 5.43 H new ATOM 501 N ALA A 34 14.050 1.080 2.637 1.00 73.34 N ATOM 502 CA ALA A 34 13.022 0.322 1.905 1.00 21.14 C ATOM 503 C ALA A 34 13.446 -1.134 1.627 1.00 14.24 C ATOM 504 O ALA A 34 13.057 -1.723 0.617 1.00 14.14 O ATOM 505 CB ALA A 34 12.667 1.041 0.602 1.00 70.02 C ATOM 0 H ALA A 34 13.742 1.420 3.548 1.00 73.34 H new ATOM 0 HA ALA A 34 12.139 0.274 2.542 1.00 21.14 H new ATOM 0 HB1 ALA A 34 11.906 0.472 0.068 1.00 70.02 H new ATOM 0 HB2 ALA A 34 12.284 2.036 0.828 1.00 70.02 H new ATOM 0 HB3 ALA A 34 13.558 1.128 -0.020 1.00 70.02 H new ATOM 511 N PHE A 35 14.235 -1.715 2.531 1.00 24.04 N ATOM 512 CA PHE A 35 14.656 -3.118 2.401 1.00 71.21 C ATOM 513 C PHE A 35 13.625 -4.073 3.027 1.00 71.40 C ATOM 514 O PHE A 35 12.990 -3.739 4.025 1.00 52.31 O ATOM 515 CB PHE A 35 16.034 -3.339 3.052 1.00 51.35 C ATOM 516 CG PHE A 35 17.176 -2.685 2.314 1.00 51.54 C ATOM 517 CD1 PHE A 35 17.347 -2.889 0.950 1.00 25.40 C ATOM 518 CD2 PHE A 35 18.086 -1.880 2.983 1.00 72.11 C ATOM 519 CE1 PHE A 35 18.399 -2.303 0.272 1.00 61.23 C ATOM 520 CE2 PHE A 35 19.138 -1.290 2.307 1.00 75.34 C ATOM 521 CZ PHE A 35 19.294 -1.502 0.950 1.00 12.30 C ATOM 0 H PHE A 35 14.596 -1.242 3.359 1.00 24.04 H new ATOM 0 HA PHE A 35 14.727 -3.338 1.336 1.00 71.21 H new ATOM 0 HB2 PHE A 35 16.008 -2.956 4.072 1.00 51.35 H new ATOM 0 HB3 PHE A 35 16.225 -4.410 3.119 1.00 51.35 H new ATOM 0 HD1 PHE A 35 16.649 -3.514 0.413 1.00 25.40 H new ATOM 0 HD2 PHE A 35 17.972 -1.712 4.044 1.00 72.11 H new ATOM 0 HE1 PHE A 35 18.520 -2.472 -0.788 1.00 61.23 H new ATOM 0 HE2 PHE A 35 19.838 -0.663 2.839 1.00 75.34 H new ATOM 0 HZ PHE A 35 20.115 -1.041 0.421 1.00 12.30 H new ATOM 531 N PRO A 36 13.449 -5.280 2.448 1.00 45.11 N ATOM 532 CA PRO A 36 12.499 -6.274 2.977 1.00 60.04 C ATOM 533 C PRO A 36 12.898 -6.795 4.371 1.00 30.41 C ATOM 534 O PRO A 36 13.778 -7.651 4.509 1.00 63.12 O ATOM 535 CB PRO A 36 12.533 -7.400 1.932 1.00 11.12 C ATOM 536 CG PRO A 36 13.849 -7.244 1.243 1.00 44.23 C ATOM 537 CD PRO A 36 14.140 -5.766 1.236 1.00 51.14 C ATOM 0 HA PRO A 36 11.506 -5.849 3.121 1.00 60.04 H new ATOM 0 HB2 PRO A 36 12.447 -8.379 2.403 1.00 11.12 H new ATOM 0 HB3 PRO A 36 11.705 -7.311 1.228 1.00 11.12 H new ATOM 0 HG2 PRO A 36 14.631 -7.793 1.767 1.00 44.23 H new ATOM 0 HG3 PRO A 36 13.807 -7.639 0.228 1.00 44.23 H new ATOM 0 HD2 PRO A 36 15.211 -5.566 1.276 1.00 51.14 H new ATOM 0 HD3 PRO A 36 13.759 -5.285 0.335 1.00 51.14 H new ATOM 545 N ARG A 37 12.262 -6.247 5.401 1.00 32.24 N ATOM 546 CA ARG A 37 12.499 -6.663 6.786 1.00 34.51 C ATOM 547 C ARG A 37 11.504 -7.761 7.199 1.00 1.24 C ATOM 548 O ARG A 37 11.859 -8.938 7.288 1.00 71.13 O ATOM 549 CB ARG A 37 12.373 -5.446 7.715 1.00 33.53 C ATOM 550 CG ARG A 37 13.237 -4.262 7.288 1.00 64.43 C ATOM 551 CD ARG A 37 12.864 -2.977 8.024 1.00 54.43 C ATOM 552 NE ARG A 37 13.029 -3.091 9.474 1.00 24.20 N ATOM 553 CZ ARG A 37 13.681 -2.233 10.212 1.00 23.22 C ATOM 554 NH1 ARG A 37 14.254 -1.200 9.678 1.00 20.03 N ATOM 555 NH2 ARG A 37 13.753 -2.408 11.490 1.00 41.20 N ATOM 0 H ARG A 37 11.569 -5.504 5.304 1.00 32.24 H new ATOM 0 HA ARG A 37 13.506 -7.073 6.867 1.00 34.51 H new ATOM 0 HB2 ARG A 37 11.330 -5.131 7.749 1.00 33.53 H new ATOM 0 HB3 ARG A 37 12.650 -5.741 8.727 1.00 33.53 H new ATOM 0 HG2 ARG A 37 14.285 -4.494 7.475 1.00 64.43 H new ATOM 0 HG3 ARG A 37 13.132 -4.107 6.214 1.00 64.43 H new ATOM 0 HD2 ARG A 37 13.482 -2.159 7.655 1.00 54.43 H new ATOM 0 HD3 ARG A 37 11.829 -2.721 7.799 1.00 54.43 H new ATOM 0 HE ARG A 37 12.606 -3.894 9.939 1.00 24.20 H new ATOM 0 HH11 ARG A 37 14.199 -1.050 8.671 1.00 20.03 H new ATOM 0 HH12 ARG A 37 14.760 -0.537 10.265 1.00 20.03 H new ATOM 0 HH21 ARG A 37 13.301 -3.215 11.921 1.00 41.20 H new ATOM 0 HH22 ARG A 37 14.262 -1.739 12.068 1.00 41.20 H new ATOM 569 N LEU A 38 10.254 -7.368 7.447 1.00 14.53 N ATOM 570 CA LEU A 38 9.173 -8.315 7.778 1.00 61.11 C ATOM 571 C LEU A 38 7.976 -8.127 6.824 1.00 41.14 C ATOM 572 O LEU A 38 6.888 -8.660 7.054 1.00 63.44 O ATOM 573 CB LEU A 38 8.696 -8.115 9.234 1.00 55.51 C ATOM 574 CG LEU A 38 9.712 -8.421 10.358 1.00 31.23 C ATOM 575 CD1 LEU A 38 10.368 -9.782 10.153 1.00 52.31 C ATOM 576 CD2 LEU A 38 10.759 -7.319 10.479 1.00 24.51 C ATOM 0 H LEU A 38 9.957 -6.392 7.426 1.00 14.53 H new ATOM 0 HA LEU A 38 9.570 -9.324 7.666 1.00 61.11 H new ATOM 0 HB2 LEU A 38 8.372 -7.080 9.344 1.00 55.51 H new ATOM 0 HB3 LEU A 38 7.819 -8.742 9.391 1.00 55.51 H new ATOM 0 HG LEU A 38 9.160 -8.455 11.297 1.00 31.23 H new ATOM 0 HD11 LEU A 38 11.077 -9.969 10.959 1.00 52.31 H new ATOM 0 HD12 LEU A 38 9.603 -10.559 10.155 1.00 52.31 H new ATOM 0 HD13 LEU A 38 10.893 -9.793 9.198 1.00 52.31 H new ATOM 0 HD21 LEU A 38 11.457 -7.567 11.279 1.00 24.51 H new ATOM 0 HD22 LEU A 38 11.302 -7.228 9.538 1.00 24.51 H new ATOM 0 HD23 LEU A 38 10.267 -6.373 10.707 1.00 24.51 H new ATOM 588 N GLU A 39 8.201 -7.386 5.741 1.00 61.13 N ATOM 589 CA GLU A 39 7.127 -6.958 4.830 1.00 60.22 C ATOM 590 C GLU A 39 6.852 -7.983 3.714 1.00 62.34 C ATOM 591 O GLU A 39 6.320 -7.636 2.659 1.00 61.41 O ATOM 592 CB GLU A 39 7.485 -5.593 4.214 1.00 44.51 C ATOM 593 CG GLU A 39 7.650 -4.463 5.237 1.00 3.10 C ATOM 594 CD GLU A 39 8.786 -4.716 6.218 1.00 61.02 C ATOM 595 OE1 GLU A 39 9.948 -4.743 5.778 1.00 50.11 O ATOM 596 OE2 GLU A 39 8.515 -4.941 7.418 1.00 72.10 O ATOM 0 H GLU A 39 9.128 -7.063 5.466 1.00 61.13 H new ATOM 0 HA GLU A 39 6.214 -6.877 5.419 1.00 60.22 H new ATOM 0 HB2 GLU A 39 8.412 -5.694 3.649 1.00 44.51 H new ATOM 0 HB3 GLU A 39 6.708 -5.313 3.503 1.00 44.51 H new ATOM 0 HG2 GLU A 39 7.833 -3.526 4.710 1.00 3.10 H new ATOM 0 HG3 GLU A 39 6.719 -4.341 5.790 1.00 3.10 H new ATOM 603 N GLU A 40 7.187 -9.249 3.967 1.00 34.44 N ATOM 604 CA GLU A 40 6.940 -10.333 3.002 1.00 71.35 C ATOM 605 C GLU A 40 5.451 -10.429 2.622 1.00 53.23 C ATOM 606 O GLU A 40 5.095 -10.917 1.545 1.00 4.14 O ATOM 607 CB GLU A 40 7.405 -11.668 3.592 1.00 25.51 C ATOM 608 CG GLU A 40 6.713 -12.024 4.907 1.00 23.43 C ATOM 609 CD GLU A 40 7.067 -13.411 5.400 1.00 42.42 C ATOM 610 OE1 GLU A 40 6.445 -14.386 4.931 1.00 71.12 O ATOM 611 OE2 GLU A 40 7.964 -13.535 6.259 1.00 3.42 O ATOM 0 H GLU A 40 7.631 -9.554 4.833 1.00 34.44 H new ATOM 0 HA GLU A 40 7.505 -10.108 2.097 1.00 71.35 H new ATOM 0 HB2 GLU A 40 7.221 -12.461 2.867 1.00 25.51 H new ATOM 0 HB3 GLU A 40 8.482 -11.629 3.756 1.00 25.51 H new ATOM 0 HG2 GLU A 40 6.988 -11.292 5.667 1.00 23.43 H new ATOM 0 HG3 GLU A 40 5.633 -11.955 4.774 1.00 23.43 H new ATOM 618 N ARG A 41 4.585 -9.977 3.527 1.00 65.53 N ATOM 619 CA ARG A 41 3.138 -9.966 3.296 1.00 63.11 C ATOM 620 C ARG A 41 2.631 -8.521 3.149 1.00 43.33 C ATOM 621 O ARG A 41 2.843 -7.696 4.034 1.00 63.03 O ATOM 622 CB ARG A 41 2.409 -10.635 4.474 1.00 33.33 C ATOM 623 CG ARG A 41 3.006 -11.971 4.920 1.00 23.42 C ATOM 624 CD ARG A 41 2.911 -13.044 3.843 1.00 62.11 C ATOM 625 NE ARG A 41 3.496 -14.310 4.291 1.00 72.43 N ATOM 626 CZ ARG A 41 2.856 -15.451 4.318 1.00 30.34 C ATOM 627 NH1 ARG A 41 1.636 -15.535 3.892 1.00 32.53 N ATOM 628 NH2 ARG A 41 3.444 -16.513 4.764 1.00 0.44 N ATOM 0 H ARG A 41 4.862 -9.609 4.437 1.00 65.53 H new ATOM 0 HA ARG A 41 2.934 -10.517 2.378 1.00 63.11 H new ATOM 0 HB2 ARG A 41 2.412 -9.950 5.322 1.00 33.33 H new ATOM 0 HB3 ARG A 41 1.367 -10.793 4.196 1.00 33.33 H new ATOM 0 HG2 ARG A 41 4.052 -11.825 5.191 1.00 23.42 H new ATOM 0 HG3 ARG A 41 2.489 -12.314 5.816 1.00 23.42 H new ATOM 0 HD2 ARG A 41 1.866 -13.200 3.575 1.00 62.11 H new ATOM 0 HD3 ARG A 41 3.424 -12.704 2.943 1.00 62.11 H new ATOM 0 HE ARG A 41 4.467 -14.302 4.603 1.00 72.43 H new ATOM 0 HH11 ARG A 41 1.164 -14.706 3.530 1.00 32.53 H new ATOM 0 HH12 ARG A 41 1.147 -16.430 3.918 1.00 32.53 H new ATOM 0 HH21 ARG A 41 4.407 -16.462 5.095 1.00 0.44 H new ATOM 0 HH22 ARG A 41 2.944 -17.402 4.785 1.00 0.44 H new ATOM 642 N HIS A 42 1.942 -8.216 2.050 1.00 51.41 N ATOM 643 CA HIS A 42 1.381 -6.868 1.850 1.00 12.11 C ATOM 644 C HIS A 42 0.341 -6.524 2.930 1.00 52.21 C ATOM 645 O HIS A 42 -0.021 -5.361 3.113 1.00 4.20 O ATOM 646 CB HIS A 42 0.760 -6.741 0.454 1.00 44.44 C ATOM 647 CG HIS A 42 1.759 -6.880 -0.655 1.00 2.00 C ATOM 648 ND1 HIS A 42 1.578 -7.716 -1.736 1.00 21.22 N ATOM 649 CD2 HIS A 42 2.953 -6.269 -0.853 1.00 32.33 C ATOM 650 CE1 HIS A 42 2.613 -7.616 -2.545 1.00 24.01 C ATOM 651 NE2 HIS A 42 3.459 -6.746 -2.034 1.00 22.22 N ATOM 0 H HIS A 42 1.757 -8.870 1.290 1.00 51.41 H new ATOM 0 HA HIS A 42 2.201 -6.156 1.935 1.00 12.11 H new ATOM 0 HB2 HIS A 42 -0.011 -7.502 0.336 1.00 44.44 H new ATOM 0 HB3 HIS A 42 0.267 -5.772 0.370 1.00 44.44 H new ATOM 0 HD2 HIS A 42 3.418 -5.543 -0.202 1.00 32.33 H new ATOM 0 HE1 HIS A 42 2.745 -8.156 -3.471 1.00 24.01 H new ATOM 0 HE2 HIS A 42 4.349 -6.471 -2.450 1.00 22.22 H new ATOM 660 N GLN A 43 -0.122 -7.548 3.644 1.00 64.23 N ATOM 661 CA GLN A 43 -1.055 -7.375 4.764 1.00 71.32 C ATOM 662 C GLN A 43 -0.461 -6.470 5.863 1.00 61.32 C ATOM 663 O GLN A 43 -1.085 -5.495 6.284 1.00 65.41 O ATOM 664 CB GLN A 43 -1.407 -8.749 5.359 1.00 74.23 C ATOM 665 CG GLN A 43 -2.432 -8.701 6.490 1.00 3.24 C ATOM 666 CD GLN A 43 -2.642 -10.051 7.163 1.00 70.43 C ATOM 667 OE1 GLN A 43 -2.476 -11.130 6.424 1.00 24.45 O flip ATOM 668 NE2 GLN A 43 -2.961 -10.125 8.344 1.00 12.53 N flip ATOM 0 H GLN A 43 0.136 -8.519 3.466 1.00 64.23 H new ATOM 0 HA GLN A 43 -1.955 -6.893 4.382 1.00 71.32 H new ATOM 0 HB2 GLN A 43 -1.790 -9.389 4.564 1.00 74.23 H new ATOM 0 HB3 GLN A 43 -0.495 -9.215 5.731 1.00 74.23 H new ATOM 0 HG2 GLN A 43 -2.107 -7.976 7.236 1.00 3.24 H new ATOM 0 HG3 GLN A 43 -3.384 -8.347 6.095 1.00 3.24 H new ATOM 0 HE21 GLN A 43 -3.083 -9.274 8.894 1.00 12.53 H new ATOM 0 HE22 GLN A 43 -3.104 -11.037 8.777 1.00 12.53 H new ATOM 677 N VAL A 44 0.753 -6.795 6.318 1.00 1.13 N ATOM 678 CA VAL A 44 1.403 -6.040 7.401 1.00 21.13 C ATOM 679 C VAL A 44 1.718 -4.590 6.988 1.00 64.40 C ATOM 680 O VAL A 44 1.779 -3.694 7.836 1.00 11.34 O ATOM 681 CB VAL A 44 2.700 -6.738 7.889 1.00 21.22 C ATOM 682 CG1 VAL A 44 2.388 -8.129 8.436 1.00 21.50 C ATOM 683 CG2 VAL A 44 3.746 -6.815 6.775 1.00 3.24 C ATOM 0 H VAL A 44 1.306 -7.572 5.957 1.00 1.13 H new ATOM 0 HA VAL A 44 0.689 -6.014 8.224 1.00 21.13 H new ATOM 0 HB VAL A 44 3.120 -6.136 8.695 1.00 21.22 H new ATOM 0 HG11 VAL A 44 3.310 -8.603 8.773 1.00 21.50 H new ATOM 0 HG12 VAL A 44 1.696 -8.044 9.274 1.00 21.50 H new ATOM 0 HG13 VAL A 44 1.935 -8.735 7.652 1.00 21.50 H new ATOM 0 HG21 VAL A 44 4.642 -7.309 7.151 1.00 3.24 H new ATOM 0 HG22 VAL A 44 3.343 -7.382 5.936 1.00 3.24 H new ATOM 0 HG23 VAL A 44 3.999 -5.808 6.444 1.00 3.24 H new ATOM 693 N ILE A 45 1.908 -4.361 5.687 1.00 14.24 N ATOM 694 CA ILE A 45 2.111 -3.004 5.156 1.00 61.41 C ATOM 695 C ILE A 45 0.962 -2.073 5.578 1.00 4.13 C ATOM 696 O ILE A 45 1.181 -0.932 5.988 1.00 31.41 O ATOM 697 CB ILE A 45 2.210 -3.013 3.604 1.00 62.33 C ATOM 698 CG1 ILE A 45 3.412 -3.852 3.138 1.00 0.44 C ATOM 699 CG2 ILE A 45 2.303 -1.589 3.050 1.00 4.34 C ATOM 700 CD1 ILE A 45 4.752 -3.301 3.577 1.00 63.51 C ATOM 0 H ILE A 45 1.926 -5.095 4.979 1.00 14.24 H new ATOM 0 HA ILE A 45 3.049 -2.635 5.570 1.00 61.41 H new ATOM 0 HB ILE A 45 1.300 -3.470 3.215 1.00 62.33 H new ATOM 0 HG12 ILE A 45 3.304 -4.867 3.521 1.00 0.44 H new ATOM 0 HG13 ILE A 45 3.396 -3.918 2.050 1.00 0.44 H new ATOM 0 HG21 ILE A 45 2.371 -1.625 1.963 1.00 4.34 H new ATOM 0 HG22 ILE A 45 1.415 -1.027 3.339 1.00 4.34 H new ATOM 0 HG23 ILE A 45 3.189 -1.099 3.453 1.00 4.34 H new ATOM 0 HD11 ILE A 45 5.549 -3.947 3.210 1.00 63.51 H new ATOM 0 HD12 ILE A 45 4.883 -2.298 3.172 1.00 63.51 H new ATOM 0 HD13 ILE A 45 4.790 -3.261 4.666 1.00 63.51 H new ATOM 712 N ARG A 46 -0.260 -2.594 5.500 1.00 3.43 N ATOM 713 CA ARG A 46 -1.464 -1.834 5.843 1.00 61.11 C ATOM 714 C ARG A 46 -1.512 -1.500 7.346 1.00 11.45 C ATOM 715 O ARG A 46 -2.267 -0.632 7.779 1.00 10.43 O ATOM 716 CB ARG A 46 -2.705 -2.643 5.439 1.00 32.42 C ATOM 717 CG ARG A 46 -3.966 -1.807 5.251 1.00 41.42 C ATOM 718 CD ARG A 46 -5.172 -2.671 4.886 1.00 23.44 C ATOM 719 NE ARG A 46 -6.256 -1.883 4.300 1.00 45.04 N ATOM 720 CZ ARG A 46 -7.512 -1.971 4.643 1.00 11.51 C ATOM 721 NH1 ARG A 46 -7.897 -2.758 5.594 1.00 72.12 N ATOM 722 NH2 ARG A 46 -8.390 -1.262 4.022 1.00 44.11 N ATOM 0 H ARG A 46 -0.446 -3.551 5.199 1.00 3.43 H new ATOM 0 HA ARG A 46 -1.444 -0.890 5.298 1.00 61.11 H new ATOM 0 HB2 ARG A 46 -2.492 -3.172 4.510 1.00 32.42 H new ATOM 0 HB3 ARG A 46 -2.895 -3.399 6.201 1.00 32.42 H new ATOM 0 HG2 ARG A 46 -4.177 -1.257 6.168 1.00 41.42 H new ATOM 0 HG3 ARG A 46 -3.798 -1.068 4.468 1.00 41.42 H new ATOM 0 HD2 ARG A 46 -4.864 -3.443 4.181 1.00 23.44 H new ATOM 0 HD3 ARG A 46 -5.536 -3.180 5.778 1.00 23.44 H new ATOM 0 HE ARG A 46 -6.012 -1.215 3.569 1.00 45.04 H new ATOM 0 HH11 ARG A 46 -7.213 -3.327 6.094 1.00 72.12 H new ATOM 0 HH12 ARG A 46 -8.884 -2.810 5.845 1.00 72.12 H new ATOM 0 HH21 ARG A 46 -8.101 -0.638 3.269 1.00 44.11 H new ATOM 0 HH22 ARG A 46 -9.374 -1.325 4.284 1.00 44.11 H new ATOM 736 N ALA A 47 -0.705 -2.207 8.136 1.00 52.25 N ATOM 737 CA ALA A 47 -0.637 -1.984 9.585 1.00 12.05 C ATOM 738 C ALA A 47 0.468 -0.984 9.963 1.00 65.43 C ATOM 739 O ALA A 47 0.246 -0.082 10.773 1.00 71.05 O ATOM 740 CB ALA A 47 -0.419 -3.308 10.308 1.00 24.10 C ATOM 0 H ALA A 47 -0.085 -2.943 7.798 1.00 52.25 H new ATOM 0 HA ALA A 47 -1.588 -1.552 9.897 1.00 12.05 H new ATOM 0 HB1 ALA A 47 -0.370 -3.132 11.383 1.00 24.10 H new ATOM 0 HB2 ALA A 47 -1.246 -3.983 10.088 1.00 24.10 H new ATOM 0 HB3 ALA A 47 0.515 -3.757 9.971 1.00 24.10 H new ATOM 746 N TYR A 48 1.655 -1.142 9.363 1.00 64.23 N ATOM 747 CA TYR A 48 2.812 -0.280 9.671 1.00 51.11 C ATOM 748 C TYR A 48 2.463 1.215 9.619 1.00 74.43 C ATOM 749 O TYR A 48 2.854 1.982 10.502 1.00 50.52 O ATOM 750 CB TYR A 48 3.975 -0.555 8.707 1.00 22.51 C ATOM 751 CG TYR A 48 4.669 -1.886 8.925 1.00 33.53 C ATOM 752 CD1 TYR A 48 5.220 -2.208 10.160 1.00 70.12 C ATOM 753 CD2 TYR A 48 4.787 -2.813 7.896 1.00 4.53 C ATOM 754 CE1 TYR A 48 5.860 -3.415 10.365 1.00 63.13 C ATOM 755 CE2 TYR A 48 5.427 -4.021 8.094 1.00 22.03 C ATOM 756 CZ TYR A 48 5.965 -4.316 9.328 1.00 53.41 C ATOM 757 OH TYR A 48 6.609 -5.519 9.524 1.00 62.23 O ATOM 0 H TYR A 48 1.843 -1.858 8.661 1.00 64.23 H new ATOM 0 HA TYR A 48 3.109 -0.526 10.690 1.00 51.11 H new ATOM 0 HB2 TYR A 48 3.600 -0.518 7.684 1.00 22.51 H new ATOM 0 HB3 TYR A 48 4.709 0.244 8.806 1.00 22.51 H new ATOM 0 HD1 TYR A 48 5.146 -1.502 10.974 1.00 70.12 H new ATOM 0 HD2 TYR A 48 4.371 -2.585 6.926 1.00 4.53 H new ATOM 0 HE1 TYR A 48 6.276 -3.651 11.333 1.00 63.13 H new ATOM 0 HE2 TYR A 48 5.505 -4.732 7.285 1.00 22.03 H new ATOM 0 HH TYR A 48 6.933 -5.860 8.664 1.00 62.23 H new ATOM 767 N VAL A 49 1.735 1.623 8.585 1.00 31.03 N ATOM 768 CA VAL A 49 1.357 3.030 8.412 1.00 31.35 C ATOM 769 C VAL A 49 0.589 3.584 9.628 1.00 14.23 C ATOM 770 O VAL A 49 0.746 4.748 9.988 1.00 21.23 O ATOM 771 CB VAL A 49 0.518 3.235 7.127 1.00 50.42 C ATOM 772 CG1 VAL A 49 1.355 2.925 5.886 1.00 75.24 C ATOM 773 CG2 VAL A 49 -0.746 2.374 7.158 1.00 65.43 C ATOM 0 H VAL A 49 1.393 1.003 7.851 1.00 31.03 H new ATOM 0 HA VAL A 49 2.290 3.587 8.320 1.00 31.35 H new ATOM 0 HB VAL A 49 0.212 4.280 7.082 1.00 50.42 H new ATOM 0 HG11 VAL A 49 0.749 3.074 4.992 1.00 75.24 H new ATOM 0 HG12 VAL A 49 2.219 3.589 5.854 1.00 75.24 H new ATOM 0 HG13 VAL A 49 1.695 1.890 5.925 1.00 75.24 H new ATOM 0 HG21 VAL A 49 -1.319 2.535 6.245 1.00 65.43 H new ATOM 0 HG22 VAL A 49 -0.468 1.323 7.231 1.00 65.43 H new ATOM 0 HG23 VAL A 49 -1.353 2.650 8.020 1.00 65.43 H new ATOM 783 N MET A 50 -0.211 2.736 10.277 1.00 24.54 N ATOM 784 CA MET A 50 -1.009 3.157 11.440 1.00 41.42 C ATOM 785 C MET A 50 -0.145 3.311 12.704 1.00 35.15 C ATOM 786 O MET A 50 -0.590 3.866 13.709 1.00 11.45 O ATOM 787 CB MET A 50 -2.136 2.149 11.705 1.00 34.42 C ATOM 788 CG MET A 50 -3.092 1.968 10.532 1.00 73.11 C ATOM 789 SD MET A 50 -4.522 0.946 10.947 1.00 3.54 S ATOM 790 CE MET A 50 -3.729 -0.588 11.423 1.00 25.51 C ATOM 0 H MET A 50 -0.326 1.755 10.021 1.00 24.54 H new ATOM 0 HA MET A 50 -1.436 4.132 11.204 1.00 41.42 H new ATOM 0 HB2 MET A 50 -1.695 1.184 11.954 1.00 34.42 H new ATOM 0 HB3 MET A 50 -2.704 2.475 12.577 1.00 34.42 H new ATOM 0 HG2 MET A 50 -3.436 2.946 10.195 1.00 73.11 H new ATOM 0 HG3 MET A 50 -2.556 1.514 9.699 1.00 73.11 H new ATOM 0 HE1 MET A 50 -4.097 -1.398 10.793 1.00 25.51 H new ATOM 0 HE2 MET A 50 -2.650 -0.493 11.300 1.00 25.51 H new ATOM 0 HE3 MET A 50 -3.957 -0.807 12.466 1.00 25.51 H new ATOM 800 N SER A 51 1.087 2.803 12.650 1.00 52.40 N ATOM 801 CA SER A 51 2.017 2.885 13.788 1.00 10.42 C ATOM 802 C SER A 51 3.147 3.898 13.539 1.00 70.30 C ATOM 803 O SER A 51 3.687 4.490 14.478 1.00 53.33 O ATOM 804 CB SER A 51 2.623 1.504 14.073 1.00 53.13 C ATOM 805 OG SER A 51 3.591 1.566 15.111 1.00 53.03 O ATOM 0 H SER A 51 1.469 2.329 11.831 1.00 52.40 H new ATOM 0 HA SER A 51 1.444 3.227 14.650 1.00 10.42 H new ATOM 0 HB2 SER A 51 1.832 0.809 14.353 1.00 53.13 H new ATOM 0 HB3 SER A 51 3.085 1.113 13.166 1.00 53.13 H new ATOM 0 HG SER A 51 3.958 0.671 15.270 1.00 53.03 H new ATOM 811 N ASN A 52 3.507 4.095 12.273 1.00 72.41 N ATOM 812 CA ASN A 52 4.613 4.995 11.917 1.00 5.42 C ATOM 813 C ASN A 52 4.122 6.412 11.565 1.00 13.23 C ATOM 814 O ASN A 52 4.849 7.389 11.753 1.00 52.04 O ATOM 815 CB ASN A 52 5.406 4.412 10.742 1.00 22.21 C ATOM 816 CG ASN A 52 5.977 3.038 11.056 1.00 53.13 C ATOM 817 OD1 ASN A 52 6.262 2.711 12.203 1.00 75.23 O ATOM 818 ND2 ASN A 52 6.153 2.221 10.037 1.00 74.54 N ATOM 0 H ASN A 52 3.054 3.648 11.476 1.00 72.41 H new ATOM 0 HA ASN A 52 5.257 5.080 12.792 1.00 5.42 H new ATOM 0 HB2 ASN A 52 4.758 4.343 9.868 1.00 22.21 H new ATOM 0 HB3 ASN A 52 6.219 5.090 10.483 1.00 22.21 H new ATOM 0 HD21 ASN A 52 6.536 1.288 10.191 1.00 74.54 H new ATOM 0 HD22 ASN A 52 5.906 2.521 9.094 1.00 74.54 H new ATOM 825 N TYR A 53 2.895 6.523 11.058 1.00 41.32 N ATOM 826 CA TYR A 53 2.347 7.819 10.629 1.00 51.44 C ATOM 827 C TYR A 53 1.076 8.191 11.407 1.00 42.33 C ATOM 828 O TYR A 53 0.439 7.338 12.026 1.00 32.34 O ATOM 829 CB TYR A 53 2.051 7.791 9.123 1.00 2.34 C ATOM 830 CG TYR A 53 3.274 7.487 8.273 1.00 34.24 C ATOM 831 CD1 TYR A 53 4.441 8.232 8.415 1.00 51.10 C ATOM 832 CD2 TYR A 53 3.266 6.460 7.332 1.00 1.25 C ATOM 833 CE1 TYR A 53 5.557 7.965 7.652 1.00 74.14 C ATOM 834 CE2 TYR A 53 4.383 6.188 6.563 1.00 43.41 C ATOM 835 CZ TYR A 53 5.525 6.944 6.730 1.00 60.01 C ATOM 836 OH TYR A 53 6.642 6.679 5.970 1.00 15.34 O ATOM 0 H TYR A 53 2.259 5.736 10.932 1.00 41.32 H new ATOM 0 HA TYR A 53 3.098 8.580 10.841 1.00 51.44 H new ATOM 0 HB2 TYR A 53 1.285 7.042 8.925 1.00 2.34 H new ATOM 0 HB3 TYR A 53 1.640 8.755 8.823 1.00 2.34 H new ATOM 0 HD1 TYR A 53 4.473 9.035 9.137 1.00 51.10 H new ATOM 0 HD2 TYR A 53 2.373 5.867 7.201 1.00 1.25 H new ATOM 0 HE1 TYR A 53 6.453 8.555 7.777 1.00 74.14 H new ATOM 0 HE2 TYR A 53 4.361 5.389 5.837 1.00 43.41 H new ATOM 0 HH TYR A 53 6.912 7.491 5.492 1.00 15.34 H new ATOM 846 N THR A 54 0.718 9.474 11.374 1.00 60.23 N ATOM 847 CA THR A 54 -0.482 9.971 12.065 1.00 23.55 C ATOM 848 C THR A 54 -1.484 10.607 11.090 1.00 25.20 C ATOM 849 O THR A 54 -2.698 10.549 11.312 1.00 23.14 O ATOM 850 CB THR A 54 -0.124 11.014 13.151 1.00 10.02 C ATOM 851 OG1 THR A 54 0.675 12.061 12.581 1.00 74.34 O ATOM 852 CG2 THR A 54 0.630 10.367 14.311 1.00 24.23 C ATOM 0 H THR A 54 1.241 10.194 10.876 1.00 60.23 H new ATOM 0 HA THR A 54 -0.940 9.100 12.533 1.00 23.55 H new ATOM 0 HB THR A 54 -1.054 11.432 13.536 1.00 10.02 H new ATOM 0 HG1 THR A 54 0.896 12.718 13.274 1.00 74.34 H new ATOM 0 HG21 THR A 54 0.868 11.124 15.058 1.00 24.23 H new ATOM 0 HG22 THR A 54 0.008 9.594 14.763 1.00 24.23 H new ATOM 0 HG23 THR A 54 1.553 9.920 13.941 1.00 24.23 H new ATOM 860 N ASP A 55 -0.983 11.225 10.018 1.00 70.24 N ATOM 861 CA ASP A 55 -1.854 11.886 9.036 1.00 22.50 C ATOM 862 C ASP A 55 -2.583 10.860 8.141 1.00 23.42 C ATOM 863 O ASP A 55 -2.029 9.818 7.781 1.00 13.14 O ATOM 864 CB ASP A 55 -1.046 12.867 8.175 1.00 25.33 C ATOM 865 CG ASP A 55 -1.943 13.756 7.325 1.00 0.40 C ATOM 866 OD1 ASP A 55 -2.417 13.299 6.267 1.00 33.32 O ATOM 867 OD2 ASP A 55 -2.206 14.909 7.725 1.00 3.42 O ATOM 0 H ASP A 55 0.013 11.283 9.806 1.00 70.24 H new ATOM 0 HA ASP A 55 -2.611 12.442 9.589 1.00 22.50 H new ATOM 0 HB2 ASP A 55 -0.426 13.489 8.820 1.00 25.33 H new ATOM 0 HB3 ASP A 55 -0.371 12.308 7.527 1.00 25.33 H new ATOM 872 N HIS A 56 -3.823 11.178 7.764 1.00 2.32 N ATOM 873 CA HIS A 56 -4.661 10.257 6.982 1.00 55.23 C ATOM 874 C HIS A 56 -4.110 10.032 5.562 1.00 10.34 C ATOM 875 O HIS A 56 -4.193 8.927 5.033 1.00 22.12 O ATOM 876 CB HIS A 56 -6.105 10.779 6.923 1.00 3.41 C ATOM 877 CG HIS A 56 -6.764 10.867 8.271 1.00 22.03 C ATOM 878 ND1 HIS A 56 -7.746 9.996 8.692 1.00 74.20 N ATOM 879 CD2 HIS A 56 -6.567 11.725 9.304 1.00 61.34 C ATOM 880 CE1 HIS A 56 -8.121 10.311 9.916 1.00 24.31 C ATOM 881 NE2 HIS A 56 -7.424 11.352 10.310 1.00 71.43 N ATOM 0 H HIS A 56 -4.272 12.066 7.986 1.00 2.32 H new ATOM 0 HA HIS A 56 -4.647 9.291 7.487 1.00 55.23 H new ATOM 0 HB2 HIS A 56 -6.108 11.766 6.460 1.00 3.41 H new ATOM 0 HB3 HIS A 56 -6.694 10.124 6.281 1.00 3.41 H new ATOM 0 HD2 HIS A 56 -5.867 12.547 9.330 1.00 61.34 H new ATOM 0 HE1 HIS A 56 -8.874 9.799 10.497 1.00 24.31 H new ATOM 0 HE2 HIS A 56 -7.506 11.810 11.218 1.00 71.43 H new ATOM 890 N GLN A 57 -3.529 11.063 4.957 1.00 43.20 N ATOM 891 CA GLN A 57 -2.961 10.940 3.604 1.00 72.44 C ATOM 892 C GLN A 57 -1.708 10.046 3.581 1.00 20.54 C ATOM 893 O GLN A 57 -1.238 9.650 2.515 1.00 5.02 O ATOM 894 CB GLN A 57 -2.636 12.324 3.016 1.00 14.54 C ATOM 895 CG GLN A 57 -3.854 13.092 2.505 1.00 31.12 C ATOM 896 CD GLN A 57 -4.854 13.437 3.593 1.00 71.41 C ATOM 897 OE1 GLN A 57 -4.763 14.482 4.225 1.00 14.45 O ATOM 898 NE2 GLN A 57 -5.826 12.575 3.809 1.00 51.11 N ATOM 0 H GLN A 57 -3.436 11.990 5.372 1.00 43.20 H new ATOM 0 HA GLN A 57 -3.720 10.462 2.985 1.00 72.44 H new ATOM 0 HB2 GLN A 57 -2.138 12.922 3.779 1.00 14.54 H new ATOM 0 HB3 GLN A 57 -1.929 12.200 2.196 1.00 14.54 H new ATOM 0 HG2 GLN A 57 -3.519 14.012 2.026 1.00 31.12 H new ATOM 0 HG3 GLN A 57 -4.353 12.498 1.739 1.00 31.12 H new ATOM 0 HE21 GLN A 57 -5.874 11.713 3.265 1.00 51.11 H new ATOM 0 HE22 GLN A 57 -6.531 12.769 4.520 1.00 51.11 H new ATOM 907 N LEU A 58 -1.162 9.743 4.755 1.00 12.11 N ATOM 908 CA LEU A 58 -0.042 8.801 4.865 1.00 41.24 C ATOM 909 C LEU A 58 -0.539 7.397 5.253 1.00 33.33 C ATOM 910 O LEU A 58 -0.053 6.386 4.743 1.00 12.30 O ATOM 911 CB LEU A 58 0.973 9.315 5.896 1.00 25.14 C ATOM 912 CG LEU A 58 1.613 10.678 5.565 1.00 64.30 C ATOM 913 CD1 LEU A 58 2.562 11.114 6.677 1.00 14.54 C ATOM 914 CD2 LEU A 58 2.346 10.620 4.227 1.00 11.31 C ATOM 0 H LEU A 58 -1.473 10.133 5.645 1.00 12.11 H new ATOM 0 HA LEU A 58 0.445 8.727 3.893 1.00 41.24 H new ATOM 0 HB2 LEU A 58 0.477 9.390 6.864 1.00 25.14 H new ATOM 0 HB3 LEU A 58 1.766 8.575 6.001 1.00 25.14 H new ATOM 0 HG LEU A 58 0.815 11.417 5.487 1.00 64.30 H new ATOM 0 HD11 LEU A 58 3.002 12.078 6.422 1.00 14.54 H new ATOM 0 HD12 LEU A 58 2.010 11.203 7.613 1.00 14.54 H new ATOM 0 HD13 LEU A 58 3.353 10.373 6.792 1.00 14.54 H new ATOM 0 HD21 LEU A 58 2.790 11.592 4.013 1.00 11.31 H new ATOM 0 HD22 LEU A 58 3.131 9.865 4.275 1.00 11.31 H new ATOM 0 HD23 LEU A 58 1.641 10.361 3.437 1.00 11.31 H new ATOM 926 N ILE A 59 -1.519 7.345 6.153 1.00 31.21 N ATOM 927 CA ILE A 59 -2.101 6.072 6.598 1.00 54.44 C ATOM 928 C ILE A 59 -3.171 5.558 5.620 1.00 4.14 C ATOM 929 O ILE A 59 -3.030 4.490 5.016 1.00 11.41 O ATOM 930 CB ILE A 59 -2.752 6.217 7.998 1.00 24.42 C ATOM 931 CG1 ILE A 59 -1.725 6.714 9.028 1.00 71.42 C ATOM 932 CG2 ILE A 59 -3.374 4.894 8.447 1.00 42.53 C ATOM 933 CD1 ILE A 59 -2.307 6.926 10.413 1.00 74.42 C ATOM 0 H ILE A 59 -1.930 8.169 6.591 1.00 31.21 H new ATOM 0 HA ILE A 59 -1.279 5.357 6.639 1.00 54.44 H new ATOM 0 HB ILE A 59 -3.547 6.959 7.927 1.00 24.42 H new ATOM 0 HG12 ILE A 59 -0.910 5.994 9.092 1.00 71.42 H new ATOM 0 HG13 ILE A 59 -1.295 7.652 8.676 1.00 71.42 H new ATOM 0 HG21 ILE A 59 -3.825 5.019 9.432 1.00 42.53 H new ATOM 0 HG22 ILE A 59 -4.140 4.591 7.733 1.00 42.53 H new ATOM 0 HG23 ILE A 59 -2.601 4.127 8.497 1.00 42.53 H new ATOM 0 HD11 ILE A 59 -1.525 7.277 11.087 1.00 74.42 H new ATOM 0 HD12 ILE A 59 -3.103 7.669 10.363 1.00 74.42 H new ATOM 0 HD13 ILE A 59 -2.712 5.985 10.786 1.00 74.42 H new ATOM 945 N GLU A 60 -4.236 6.339 5.467 1.00 63.30 N ATOM 946 CA GLU A 60 -5.426 5.927 4.714 1.00 41.34 C ATOM 947 C GLU A 60 -5.130 5.685 3.224 1.00 31.32 C ATOM 948 O GLU A 60 -5.770 4.847 2.586 1.00 31.03 O ATOM 949 CB GLU A 60 -6.517 6.990 4.869 1.00 11.04 C ATOM 950 CG GLU A 60 -7.883 6.565 4.351 1.00 31.34 C ATOM 951 CD GLU A 60 -8.922 7.660 4.504 1.00 23.54 C ATOM 952 OE1 GLU A 60 -9.458 7.823 5.626 1.00 54.24 O ATOM 953 OE2 GLU A 60 -9.196 8.369 3.512 1.00 14.31 O ATOM 0 H GLU A 60 -4.303 7.278 5.861 1.00 63.30 H new ATOM 0 HA GLU A 60 -5.764 4.976 5.126 1.00 41.34 H new ATOM 0 HB2 GLU A 60 -6.606 7.251 5.923 1.00 11.04 H new ATOM 0 HB3 GLU A 60 -6.206 7.892 4.342 1.00 11.04 H new ATOM 0 HG2 GLU A 60 -7.801 6.289 3.300 1.00 31.34 H new ATOM 0 HG3 GLU A 60 -8.213 5.676 4.889 1.00 31.34 H new ATOM 960 N THR A 61 -4.170 6.424 2.666 1.00 13.21 N ATOM 961 CA THR A 61 -3.742 6.206 1.274 1.00 72.33 C ATOM 962 C THR A 61 -3.286 4.754 1.067 1.00 1.25 C ATOM 963 O THR A 61 -3.744 4.067 0.148 1.00 33.00 O ATOM 964 CB THR A 61 -2.594 7.166 0.870 1.00 44.40 C ATOM 965 OG1 THR A 61 -3.049 8.524 0.920 1.00 24.02 O ATOM 966 CG2 THR A 61 -2.073 6.857 -0.533 1.00 31.32 C ATOM 0 H THR A 61 -3.675 7.174 3.148 1.00 13.21 H new ATOM 0 HA THR A 61 -4.604 6.411 0.639 1.00 72.33 H new ATOM 0 HB THR A 61 -1.778 7.023 1.578 1.00 44.40 H new ATOM 0 HG1 THR A 61 -2.345 9.091 1.297 1.00 24.02 H new ATOM 0 HG21 THR A 61 -1.269 7.549 -0.783 1.00 31.32 H new ATOM 0 HG22 THR A 61 -1.695 5.835 -0.564 1.00 31.32 H new ATOM 0 HG23 THR A 61 -2.883 6.966 -1.254 1.00 31.32 H new ATOM 974 N THR A 62 -2.397 4.287 1.941 1.00 74.21 N ATOM 975 CA THR A 62 -1.936 2.891 1.912 1.00 53.13 C ATOM 976 C THR A 62 -3.087 1.933 2.249 1.00 54.13 C ATOM 977 O THR A 62 -3.249 0.888 1.614 1.00 43.14 O ATOM 978 CB THR A 62 -0.777 2.660 2.912 1.00 40.41 C ATOM 979 OG1 THR A 62 0.290 3.584 2.651 1.00 2.14 O ATOM 980 CG2 THR A 62 -0.244 1.229 2.823 1.00 20.51 C ATOM 0 H THR A 62 -1.978 4.851 2.680 1.00 74.21 H new ATOM 0 HA THR A 62 -1.577 2.690 0.903 1.00 53.13 H new ATOM 0 HB THR A 62 -1.166 2.822 3.917 1.00 40.41 H new ATOM 0 HG1 THR A 62 1.151 3.127 2.752 1.00 2.14 H new ATOM 0 HG21 THR A 62 0.569 1.098 3.537 1.00 20.51 H new ATOM 0 HG22 THR A 62 -1.046 0.527 3.053 1.00 20.51 H new ATOM 0 HG23 THR A 62 0.125 1.040 1.815 1.00 20.51 H new ATOM 988 N ASN A 63 -3.888 2.307 3.248 1.00 44.12 N ATOM 989 CA ASN A 63 -5.074 1.533 3.639 1.00 71.33 C ATOM 990 C ASN A 63 -5.978 1.239 2.426 1.00 51.15 C ATOM 991 O ASN A 63 -6.488 0.128 2.271 1.00 71.12 O ATOM 992 CB ASN A 63 -5.858 2.304 4.709 1.00 54.21 C ATOM 993 CG ASN A 63 -7.136 1.603 5.131 1.00 60.42 C ATOM 994 OD1 ASN A 63 -7.142 0.793 6.048 1.00 42.42 O ATOM 995 ND2 ASN A 63 -8.236 1.918 4.476 1.00 43.25 N ATOM 0 H ASN A 63 -3.738 3.147 3.807 1.00 44.12 H new ATOM 0 HA ASN A 63 -4.743 0.577 4.045 1.00 71.33 H new ATOM 0 HB2 ASN A 63 -5.223 2.447 5.584 1.00 54.21 H new ATOM 0 HB3 ASN A 63 -6.103 3.295 4.328 1.00 54.21 H new ATOM 0 HD21 ASN A 63 -9.123 1.483 4.730 1.00 43.25 H new ATOM 0 HD22 ASN A 63 -8.200 2.597 3.716 1.00 43.25 H new ATOM 1002 N ARG A 64 -6.161 2.247 1.578 1.00 14.44 N ATOM 1003 CA ARG A 64 -6.966 2.114 0.357 1.00 13.23 C ATOM 1004 C ARG A 64 -6.233 1.284 -0.714 1.00 62.41 C ATOM 1005 O ARG A 64 -6.809 0.369 -1.306 1.00 52.24 O ATOM 1006 CB ARG A 64 -7.297 3.509 -0.191 1.00 52.30 C ATOM 1007 CG ARG A 64 -8.133 3.508 -1.471 1.00 50.55 C ATOM 1008 CD ARG A 64 -8.382 4.928 -1.972 1.00 73.14 C ATOM 1009 NE ARG A 64 -9.135 4.958 -3.227 1.00 12.44 N ATOM 1010 CZ ARG A 64 -9.126 5.964 -4.061 1.00 24.42 C ATOM 1011 NH1 ARG A 64 -8.412 7.017 -3.815 1.00 10.52 N ATOM 1012 NH2 ARG A 64 -9.832 5.919 -5.144 1.00 31.33 N ATOM 0 H ARG A 64 -5.760 3.175 1.712 1.00 14.44 H new ATOM 0 HA ARG A 64 -7.887 1.589 0.609 1.00 13.23 H new ATOM 0 HB2 ARG A 64 -7.832 4.069 0.576 1.00 52.30 H new ATOM 0 HB3 ARG A 64 -6.365 4.041 -0.382 1.00 52.30 H new ATOM 0 HG2 ARG A 64 -7.621 2.933 -2.242 1.00 50.55 H new ATOM 0 HG3 ARG A 64 -9.086 3.013 -1.285 1.00 50.55 H new ATOM 0 HD2 ARG A 64 -8.927 5.487 -1.212 1.00 73.14 H new ATOM 0 HD3 ARG A 64 -7.426 5.432 -2.114 1.00 73.14 H new ATOM 0 HE ARG A 64 -9.701 4.144 -3.465 1.00 12.44 H new ATOM 0 HH11 ARG A 64 -7.851 7.065 -2.965 1.00 10.52 H new ATOM 0 HH12 ARG A 64 -8.411 7.797 -4.472 1.00 10.52 H new ATOM 0 HH21 ARG A 64 -10.399 5.096 -5.350 1.00 31.33 H new ATOM 0 HH22 ARG A 64 -9.822 6.706 -5.792 1.00 31.33 H new ATOM 1026 N ALA A 65 -4.960 1.609 -0.953 1.00 71.12 N ATOM 1027 CA ALA A 65 -4.149 0.924 -1.973 1.00 35.12 C ATOM 1028 C ALA A 65 -4.095 -0.597 -1.747 1.00 71.02 C ATOM 1029 O ALA A 65 -4.290 -1.381 -2.679 1.00 54.24 O ATOM 1030 CB ALA A 65 -2.739 1.508 -2.002 1.00 53.04 C ATOM 0 H ALA A 65 -4.463 2.346 -0.453 1.00 71.12 H new ATOM 0 HA ALA A 65 -4.629 1.089 -2.938 1.00 35.12 H new ATOM 0 HB1 ALA A 65 -2.148 0.994 -2.760 1.00 53.04 H new ATOM 0 HB2 ALA A 65 -2.790 2.570 -2.240 1.00 53.04 H new ATOM 0 HB3 ALA A 65 -2.271 1.377 -1.026 1.00 53.04 H new ATOM 1036 N ILE A 66 -3.831 -1.006 -0.506 1.00 34.21 N ATOM 1037 CA ILE A 66 -3.787 -2.430 -0.156 1.00 2.24 C ATOM 1038 C ILE A 66 -5.132 -3.121 -0.450 1.00 74.20 C ATOM 1039 O ILE A 66 -5.168 -4.226 -0.998 1.00 74.13 O ATOM 1040 CB ILE A 66 -3.412 -2.633 1.338 1.00 10.43 C ATOM 1041 CG1 ILE A 66 -2.026 -2.032 1.638 1.00 52.11 C ATOM 1042 CG2 ILE A 66 -3.443 -4.114 1.712 1.00 3.30 C ATOM 1043 CD1 ILE A 66 -0.893 -2.673 0.861 1.00 5.13 C ATOM 0 H ILE A 66 -3.645 -0.375 0.273 1.00 34.21 H new ATOM 0 HA ILE A 66 -3.016 -2.886 -0.776 1.00 2.24 H new ATOM 0 HB ILE A 66 -4.153 -2.112 1.944 1.00 10.43 H new ATOM 0 HG12 ILE A 66 -2.048 -0.965 1.414 1.00 52.11 H new ATOM 0 HG13 ILE A 66 -1.822 -2.130 2.704 1.00 52.11 H new ATOM 0 HG21 ILE A 66 -3.177 -4.230 2.763 1.00 3.30 H new ATOM 0 HG22 ILE A 66 -4.445 -4.510 1.546 1.00 3.30 H new ATOM 0 HG23 ILE A 66 -2.730 -4.660 1.095 1.00 3.30 H new ATOM 0 HD11 ILE A 66 0.049 -2.194 1.129 1.00 5.13 H new ATOM 0 HD12 ILE A 66 -0.841 -3.735 1.102 1.00 5.13 H new ATOM 0 HD13 ILE A 66 -1.071 -2.552 -0.208 1.00 5.13 H new ATOM 1055 N SER A 67 -6.233 -2.455 -0.095 1.00 4.11 N ATOM 1056 CA SER A 67 -7.582 -2.969 -0.387 1.00 41.13 C ATOM 1057 C SER A 67 -7.757 -3.218 -1.887 1.00 64.12 C ATOM 1058 O SER A 67 -8.217 -4.284 -2.308 1.00 20.14 O ATOM 1059 CB SER A 67 -8.658 -1.979 0.085 1.00 44.45 C ATOM 1060 OG SER A 67 -8.592 -1.759 1.486 1.00 55.32 O ATOM 0 H SER A 67 -6.222 -1.560 0.394 1.00 4.11 H new ATOM 0 HA SER A 67 -7.697 -3.910 0.151 1.00 41.13 H new ATOM 0 HB2 SER A 67 -8.535 -1.031 -0.438 1.00 44.45 H new ATOM 0 HB3 SER A 67 -9.644 -2.362 -0.177 1.00 44.45 H new ATOM 0 HG SER A 67 -7.788 -1.241 1.698 1.00 55.32 H new ATOM 1066 N LEU A 68 -7.374 -2.224 -2.687 1.00 74.42 N ATOM 1067 CA LEU A 68 -7.466 -2.315 -4.147 1.00 11.55 C ATOM 1068 C LEU A 68 -6.665 -3.506 -4.695 1.00 54.52 C ATOM 1069 O LEU A 68 -7.165 -4.272 -5.513 1.00 45.10 O ATOM 1070 CB LEU A 68 -6.978 -1.011 -4.795 1.00 63.13 C ATOM 1071 CG LEU A 68 -7.799 0.240 -4.443 1.00 73.21 C ATOM 1072 CD1 LEU A 68 -7.215 1.482 -5.113 1.00 11.41 C ATOM 1073 CD2 LEU A 68 -9.261 0.046 -4.839 1.00 52.01 C ATOM 0 H LEU A 68 -6.994 -1.340 -2.348 1.00 74.42 H new ATOM 0 HA LEU A 68 -8.514 -2.473 -4.400 1.00 11.55 H new ATOM 0 HB2 LEU A 68 -5.943 -0.842 -4.499 1.00 63.13 H new ATOM 0 HB3 LEU A 68 -6.984 -1.137 -5.878 1.00 63.13 H new ATOM 0 HG LEU A 68 -7.751 0.389 -3.364 1.00 73.21 H new ATOM 0 HD11 LEU A 68 -7.814 2.354 -4.848 1.00 11.41 H new ATOM 0 HD12 LEU A 68 -6.189 1.630 -4.775 1.00 11.41 H new ATOM 0 HD13 LEU A 68 -7.225 1.350 -6.195 1.00 11.41 H new ATOM 0 HD21 LEU A 68 -9.829 0.940 -4.583 1.00 52.01 H new ATOM 0 HD22 LEU A 68 -9.327 -0.131 -5.913 1.00 52.01 H new ATOM 0 HD23 LEU A 68 -9.672 -0.810 -4.304 1.00 52.01 H new ATOM 1085 N TYR A 69 -5.423 -3.658 -4.230 1.00 62.35 N ATOM 1086 CA TYR A 69 -4.557 -4.762 -4.671 1.00 3.10 C ATOM 1087 C TYR A 69 -5.122 -6.135 -4.262 1.00 4.01 C ATOM 1088 O TYR A 69 -4.991 -7.111 -5.003 1.00 13.04 O ATOM 1089 CB TYR A 69 -3.123 -4.576 -4.133 1.00 3.11 C ATOM 1090 CG TYR A 69 -2.121 -4.192 -5.210 1.00 13.31 C ATOM 1091 CD1 TYR A 69 -2.295 -3.042 -5.975 1.00 52.13 C ATOM 1092 CD2 TYR A 69 -1.006 -4.987 -5.469 1.00 12.51 C ATOM 1093 CE1 TYR A 69 -1.393 -2.700 -6.965 1.00 54.32 C ATOM 1094 CE2 TYR A 69 -0.101 -4.645 -6.456 1.00 21.42 C ATOM 1095 CZ TYR A 69 -0.299 -3.502 -7.200 1.00 23.35 C ATOM 1096 OH TYR A 69 0.599 -3.162 -8.186 1.00 13.11 O ATOM 0 H TYR A 69 -4.992 -3.033 -3.549 1.00 62.35 H new ATOM 0 HA TYR A 69 -4.526 -4.738 -5.760 1.00 3.10 H new ATOM 0 HB2 TYR A 69 -3.129 -3.806 -3.361 1.00 3.11 H new ATOM 0 HB3 TYR A 69 -2.798 -5.501 -3.658 1.00 3.11 H new ATOM 0 HD1 TYR A 69 -3.149 -2.407 -5.792 1.00 52.13 H new ATOM 0 HD2 TYR A 69 -0.847 -5.884 -4.889 1.00 12.51 H new ATOM 0 HE1 TYR A 69 -1.546 -1.807 -7.552 1.00 54.32 H new ATOM 0 HE2 TYR A 69 0.759 -5.271 -6.644 1.00 21.42 H new ATOM 0 HH TYR A 69 1.314 -3.831 -8.222 1.00 13.11 H new ATOM 1106 N MET A 70 -5.750 -6.210 -3.089 1.00 24.10 N ATOM 1107 CA MET A 70 -6.397 -7.452 -2.644 1.00 44.34 C ATOM 1108 C MET A 70 -7.580 -7.820 -3.556 1.00 24.04 C ATOM 1109 O MET A 70 -7.692 -8.958 -4.018 1.00 75.10 O ATOM 1110 CB MET A 70 -6.872 -7.330 -1.188 1.00 20.23 C ATOM 1111 CG MET A 70 -5.739 -7.287 -0.171 1.00 63.42 C ATOM 1112 SD MET A 70 -6.346 -7.242 1.528 1.00 24.53 S ATOM 1113 CE MET A 70 -4.812 -7.360 2.452 1.00 62.34 C ATOM 0 H MET A 70 -5.826 -5.434 -2.431 1.00 24.10 H new ATOM 0 HA MET A 70 -5.656 -8.249 -2.704 1.00 44.34 H new ATOM 0 HB2 MET A 70 -7.473 -6.426 -1.087 1.00 20.23 H new ATOM 0 HB3 MET A 70 -7.523 -8.173 -0.957 1.00 20.23 H new ATOM 0 HG2 MET A 70 -5.101 -8.161 -0.304 1.00 63.42 H new ATOM 0 HG3 MET A 70 -5.120 -6.409 -0.357 1.00 63.42 H new ATOM 0 HE1 MET A 70 -4.894 -8.155 3.193 1.00 62.34 H new ATOM 0 HE2 MET A 70 -3.992 -7.583 1.769 1.00 62.34 H new ATOM 0 HE3 MET A 70 -4.617 -6.413 2.956 1.00 62.34 H new ATOM 1123 N ALA A 71 -8.452 -6.847 -3.820 1.00 20.15 N ATOM 1124 CA ALA A 71 -9.608 -7.055 -4.704 1.00 45.21 C ATOM 1125 C ALA A 71 -9.172 -7.291 -6.161 1.00 3.02 C ATOM 1126 O ALA A 71 -9.807 -8.051 -6.901 1.00 73.12 O ATOM 1127 CB ALA A 71 -10.549 -5.859 -4.617 1.00 74.13 C ATOM 0 H ALA A 71 -8.383 -5.905 -3.436 1.00 20.15 H new ATOM 0 HA ALA A 71 -10.132 -7.950 -4.370 1.00 45.21 H new ATOM 0 HB1 ALA A 71 -11.403 -6.020 -5.274 1.00 74.13 H new ATOM 0 HB2 ALA A 71 -10.898 -5.744 -3.591 1.00 74.13 H new ATOM 0 HB3 ALA A 71 -10.020 -4.957 -4.924 1.00 74.13 H new ATOM 1133 N ASN A 72 -8.086 -6.629 -6.558 1.00 22.52 N ATOM 1134 CA ASN A 72 -7.513 -6.777 -7.901 1.00 41.14 C ATOM 1135 C ASN A 72 -6.961 -8.197 -8.099 1.00 72.12 C ATOM 1136 O ASN A 72 -7.348 -8.899 -9.032 1.00 51.40 O ATOM 1137 CB ASN A 72 -6.396 -5.738 -8.108 1.00 43.30 C ATOM 1138 CG ASN A 72 -5.861 -5.685 -9.533 1.00 53.12 C ATOM 1139 OD1 ASN A 72 -5.863 -6.672 -10.262 1.00 33.31 O ATOM 1140 ND2 ASN A 72 -5.382 -4.526 -9.939 1.00 61.42 N ATOM 0 H ASN A 72 -7.578 -5.976 -5.962 1.00 22.52 H new ATOM 0 HA ASN A 72 -8.298 -6.609 -8.638 1.00 41.14 H new ATOM 0 HB2 ASN A 72 -6.774 -4.753 -7.835 1.00 43.30 H new ATOM 0 HB3 ASN A 72 -5.573 -5.963 -7.429 1.00 43.30 H new ATOM 0 HD21 ASN A 72 -5.000 -4.433 -10.880 1.00 61.42 H new ATOM 0 HD22 ASN A 72 -5.393 -3.722 -9.312 1.00 61.42 H new ATOM 1147 N LEU A 73 -6.065 -8.614 -7.202 1.00 43.12 N ATOM 1148 CA LEU A 73 -5.453 -9.949 -7.264 1.00 50.25 C ATOM 1149 C LEU A 73 -6.537 -11.042 -7.265 1.00 4.22 C ATOM 1150 O LEU A 73 -6.476 -11.991 -8.051 1.00 54.25 O ATOM 1151 CB LEU A 73 -4.482 -10.135 -6.073 1.00 64.12 C ATOM 1152 CG LEU A 73 -3.433 -11.270 -6.197 1.00 15.32 C ATOM 1153 CD1 LEU A 73 -4.069 -12.655 -6.088 1.00 22.55 C ATOM 1154 CD2 LEU A 73 -2.658 -11.141 -7.509 1.00 0.41 C ATOM 0 H LEU A 73 -5.744 -8.045 -6.419 1.00 43.12 H new ATOM 0 HA LEU A 73 -4.889 -10.038 -8.192 1.00 50.25 H new ATOM 0 HB2 LEU A 73 -3.950 -9.196 -5.919 1.00 64.12 H new ATOM 0 HB3 LEU A 73 -5.075 -10.317 -5.177 1.00 64.12 H new ATOM 0 HG LEU A 73 -2.741 -11.164 -5.362 1.00 15.32 H new ATOM 0 HD11 LEU A 73 -3.297 -13.418 -6.181 1.00 22.55 H new ATOM 0 HD12 LEU A 73 -4.563 -12.754 -5.121 1.00 22.55 H new ATOM 0 HD13 LEU A 73 -4.802 -12.782 -6.884 1.00 22.55 H new ATOM 0 HD21 LEU A 73 -1.926 -11.945 -7.580 1.00 0.41 H new ATOM 0 HD22 LEU A 73 -3.350 -11.205 -8.348 1.00 0.41 H new ATOM 0 HD23 LEU A 73 -2.144 -10.180 -7.535 1.00 0.41 H new ATOM 1166 N GLU A 74 -7.533 -10.887 -6.389 1.00 60.33 N ATOM 1167 CA GLU A 74 -8.651 -11.831 -6.308 1.00 62.20 C ATOM 1168 C GLU A 74 -9.330 -12.028 -7.674 1.00 62.22 C ATOM 1169 O GLU A 74 -9.331 -13.133 -8.217 1.00 4.14 O ATOM 1170 CB GLU A 74 -9.682 -11.354 -5.271 1.00 55.52 C ATOM 1171 CG GLU A 74 -10.960 -12.198 -5.213 1.00 30.33 C ATOM 1172 CD GLU A 74 -10.734 -13.628 -4.730 1.00 42.31 C ATOM 1173 OE1 GLU A 74 -10.102 -14.422 -5.458 1.00 23.34 O ATOM 1174 OE2 GLU A 74 -11.232 -13.980 -3.641 1.00 51.41 O ATOM 0 H GLU A 74 -7.588 -10.115 -5.724 1.00 60.33 H new ATOM 0 HA GLU A 74 -8.245 -12.793 -5.995 1.00 62.20 H new ATOM 0 HB2 GLU A 74 -9.215 -11.355 -4.286 1.00 55.52 H new ATOM 0 HB3 GLU A 74 -9.953 -10.322 -5.494 1.00 55.52 H new ATOM 0 HG2 GLU A 74 -11.676 -11.710 -4.552 1.00 30.33 H new ATOM 0 HG3 GLU A 74 -11.410 -12.227 -6.205 1.00 30.33 H new ATOM 1181 N HIS A 75 -9.892 -10.956 -8.239 1.00 44.10 N ATOM 1182 CA HIS A 75 -10.603 -11.059 -9.518 1.00 14.34 C ATOM 1183 C HIS A 75 -9.650 -11.415 -10.671 1.00 35.12 C ATOM 1184 O HIS A 75 -10.042 -12.095 -11.617 1.00 52.10 O ATOM 1185 CB HIS A 75 -11.357 -9.767 -9.846 1.00 4.03 C ATOM 1186 CG HIS A 75 -12.225 -9.891 -11.066 1.00 44.13 C ATOM 1187 ND1 HIS A 75 -11.935 -9.276 -12.264 1.00 54.52 N ATOM 1188 CD2 HIS A 75 -13.372 -10.584 -11.274 1.00 50.42 C ATOM 1189 CE1 HIS A 75 -12.861 -9.580 -13.152 1.00 71.23 C ATOM 1190 NE2 HIS A 75 -13.744 -10.372 -12.577 1.00 72.32 N ATOM 0 H HIS A 75 -9.870 -10.018 -7.838 1.00 44.10 H new ATOM 0 HA HIS A 75 -11.327 -11.866 -9.409 1.00 14.34 H new ATOM 0 HB2 HIS A 75 -11.975 -9.486 -8.993 1.00 4.03 H new ATOM 0 HB3 HIS A 75 -10.639 -8.961 -9.998 1.00 4.03 H new ATOM 0 HD2 HIS A 75 -13.895 -11.190 -10.549 1.00 50.42 H new ATOM 0 HE1 HIS A 75 -12.891 -9.238 -14.176 1.00 71.23 H new ATOM 0 HE2 HIS A 75 -14.571 -10.764 -13.028 1.00 72.32 H new ATOM 1199 N HIS A 76 -8.404 -10.959 -10.589 1.00 3.34 N ATOM 1200 CA HIS A 76 -7.398 -11.276 -11.609 1.00 14.02 C ATOM 1201 C HIS A 76 -7.137 -12.790 -11.659 1.00 74.42 C ATOM 1202 O HIS A 76 -6.936 -13.369 -12.729 1.00 13.32 O ATOM 1203 CB HIS A 76 -6.095 -10.520 -11.318 1.00 25.54 C ATOM 1204 CG HIS A 76 -5.142 -10.482 -12.476 1.00 22.10 C ATOM 1205 ND1 HIS A 76 -4.925 -9.349 -13.230 1.00 2.40 N ATOM 1206 CD2 HIS A 76 -4.338 -11.437 -13.006 1.00 35.05 C ATOM 1207 CE1 HIS A 76 -4.037 -9.606 -14.166 1.00 70.44 C ATOM 1208 NE2 HIS A 76 -3.664 -10.862 -14.054 1.00 13.12 N ATOM 0 H HIS A 76 -8.063 -10.369 -9.830 1.00 3.34 H new ATOM 0 HA HIS A 76 -7.778 -10.961 -12.581 1.00 14.02 H new ATOM 0 HB2 HIS A 76 -6.337 -9.498 -11.026 1.00 25.54 H new ATOM 0 HB3 HIS A 76 -5.599 -10.986 -10.467 1.00 25.54 H new ATOM 0 HD2 HIS A 76 -4.246 -12.458 -12.667 1.00 35.05 H new ATOM 0 HE1 HIS A 76 -3.675 -8.904 -14.902 1.00 70.44 H new ATOM 0 HE2 HIS A 76 -2.983 -11.333 -14.650 1.00 13.12 H new ATOM 1217 N HIS A 77 -7.136 -13.421 -10.486 1.00 52.14 N ATOM 1218 CA HIS A 77 -7.017 -14.878 -10.389 1.00 73.13 C ATOM 1219 C HIS A 77 -8.382 -15.547 -10.629 1.00 55.41 C ATOM 1220 O HIS A 77 -8.461 -16.686 -11.087 1.00 71.21 O ATOM 1221 CB HIS A 77 -6.467 -15.274 -9.011 1.00 11.01 C ATOM 1222 CG HIS A 77 -6.212 -16.745 -8.862 1.00 53.22 C ATOM 1223 ND1 HIS A 77 -5.032 -17.345 -9.242 1.00 32.41 N ATOM 1224 CD2 HIS A 77 -6.991 -17.741 -8.372 1.00 54.24 C ATOM 1225 CE1 HIS A 77 -5.094 -18.636 -8.996 1.00 45.44 C ATOM 1226 NE2 HIS A 77 -6.270 -18.904 -8.469 1.00 23.04 N ATOM 0 H HIS A 77 -7.216 -12.946 -9.587 1.00 52.14 H new ATOM 0 HA HIS A 77 -6.323 -15.221 -11.157 1.00 73.13 H new ATOM 0 HB2 HIS A 77 -5.538 -14.733 -8.832 1.00 11.01 H new ATOM 0 HB3 HIS A 77 -7.173 -14.957 -8.243 1.00 11.01 H new ATOM 0 HD2 HIS A 77 -7.992 -17.638 -7.979 1.00 54.24 H new ATOM 0 HE1 HIS A 77 -4.312 -19.354 -9.193 1.00 45.44 H new ATOM 0 HE2 HIS A 77 -6.593 -19.827 -8.180 1.00 23.04 H new ATOM 1235 N HIS A 78 -9.449 -14.825 -10.308 1.00 22.41 N ATOM 1236 CA HIS A 78 -10.819 -15.312 -10.495 1.00 25.44 C ATOM 1237 C HIS A 78 -11.296 -15.022 -11.931 1.00 62.31 C ATOM 1238 O HIS A 78 -12.047 -14.074 -12.168 1.00 75.34 O ATOM 1239 CB HIS A 78 -11.738 -14.630 -9.466 1.00 15.23 C ATOM 1240 CG HIS A 78 -13.026 -15.346 -9.197 1.00 23.34 C ATOM 1241 ND1 HIS A 78 -13.159 -16.288 -8.202 1.00 55.43 N ATOM 1242 CD2 HIS A 78 -14.252 -15.229 -9.762 1.00 53.33 C ATOM 1243 CE1 HIS A 78 -14.400 -16.716 -8.162 1.00 43.45 C ATOM 1244 NE2 HIS A 78 -15.086 -16.092 -9.094 1.00 53.12 N ATOM 0 H HIS A 78 -9.394 -13.887 -9.911 1.00 22.41 H new ATOM 0 HA HIS A 78 -10.850 -16.391 -10.343 1.00 25.44 H new ATOM 0 HB2 HIS A 78 -11.194 -14.527 -8.527 1.00 15.23 H new ATOM 0 HB3 HIS A 78 -11.965 -13.623 -9.815 1.00 15.23 H new ATOM 0 HD2 HIS A 78 -14.522 -14.580 -10.582 1.00 53.33 H new ATOM 0 HE1 HIS A 78 -14.791 -17.456 -7.479 1.00 43.45 H new ATOM 0 HE2 HIS A 78 -16.078 -16.227 -9.290 1.00 53.12 H new