USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 553 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 54 GLN : amide:sc= 1.02 K(o=1,f=0.16) USER MOD Set 1.2: A 80 GLN : amide:sc= 0 X(o=1,f=1.1) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -120:sc= -2.28! (180deg=-8.05!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0369 USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= 0.871 (180deg=-1.51!) USER MOD Single : A 31 SER OG : rot 120:sc= 1.32 USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00556) USER MOD Single : A 37 LYS NZ :NH3+ -102:sc= -3.03! (180deg=-5.53!) USER MOD Single : A 41 GLN : amide:sc= -0.323 X(o=-0.32,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -123:sc= 0.227! (180deg=-3.08!) USER MOD Single : A 47 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 1.48 K(o=1.5,f=-9.3!) USER MOD Single : A 60 TYR OH : rot 118:sc= 1.11 USER MOD Single : A 63 TYR OH : rot 165:sc= -0.214 USER MOD Single : A 74 LYS NZ :NH3+ -147:sc= -2.46! (180deg=-3.69!) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.84! C(o=-2.7!,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 20 3.712 -2.884 1.206 1.00 0.74 N ATOM 2 CA MET A 20 5.076 -2.901 0.576 1.00 0.60 C ATOM 3 C MET A 20 5.474 -1.427 0.408 1.00 0.48 C ATOM 4 O MET A 20 4.680 -0.591 0.801 1.00 0.41 O ATOM 5 CB MET A 20 5.027 -3.586 -0.821 1.00 0.38 C ATOM 6 CG MET A 20 4.394 -5.005 -0.746 1.00 0.51 C ATOM 7 SD MET A 20 2.660 -5.147 -0.235 1.00 0.90 S ATOM 8 CE MET A 20 1.887 -4.996 -1.866 1.00 1.09 C ATOM 0 HA MET A 20 5.786 -3.455 1.189 1.00 0.60 H new ATOM 0 HB2 MET A 20 4.452 -2.967 -1.509 1.00 0.38 H new ATOM 0 HB3 MET A 20 6.036 -3.659 -1.226 1.00 0.38 H new ATOM 0 HG2 MET A 20 4.489 -5.464 -1.730 1.00 0.51 H new ATOM 0 HG3 MET A 20 4.993 -5.600 -0.057 1.00 0.51 H new ATOM 0 HE1 MET A 20 0.804 -5.060 -1.763 1.00 1.09 H new ATOM 0 HE2 MET A 20 2.153 -4.036 -2.307 1.00 1.09 H new ATOM 0 HE3 MET A 20 2.238 -5.802 -2.511 1.00 1.09 H new ATOM 20 N LYS A 21 6.624 -1.134 -0.145 1.00 0.50 N ATOM 21 CA LYS A 21 7.034 0.296 -0.325 1.00 0.43 C ATOM 22 C LYS A 21 6.786 0.829 -1.715 1.00 0.38 C ATOM 23 O LYS A 21 6.762 0.150 -2.720 1.00 0.41 O ATOM 24 CB LYS A 21 8.537 0.505 -0.074 1.00 0.46 C ATOM 25 CG LYS A 21 8.772 0.696 1.391 1.00 0.75 C ATOM 26 CD LYS A 21 10.286 0.634 1.774 1.00 0.65 C ATOM 27 CE LYS A 21 11.124 -0.425 0.993 1.00 0.60 C ATOM 28 NZ LYS A 21 11.525 0.204 -0.249 1.00 1.19 N ATOM 0 H LYS A 21 7.298 -1.822 -0.480 1.00 0.50 H new ATOM 0 HA LYS A 21 6.419 0.826 0.402 1.00 0.43 H new ATOM 0 HB2 LYS A 21 9.101 -0.355 -0.435 1.00 0.46 H new ATOM 0 HB3 LYS A 21 8.892 1.374 -0.627 1.00 0.46 H new ATOM 0 HG2 LYS A 21 8.363 1.659 1.697 1.00 0.75 H new ATOM 0 HG3 LYS A 21 8.230 -0.071 1.944 1.00 0.75 H new ATOM 0 HD2 LYS A 21 10.727 1.617 1.609 1.00 0.65 H new ATOM 0 HD3 LYS A 21 10.367 0.424 2.840 1.00 0.65 H new ATOM 0 HE2 LYS A 21 11.995 -0.733 1.571 1.00 0.60 H new ATOM 0 HE3 LYS A 21 10.535 -1.322 0.801 1.00 0.60 H new ATOM 0 HZ1 LYS A 21 11.148 -0.340 -1.051 1.00 1.19 H new ATOM 0 HZ2 LYS A 21 11.152 1.174 -0.283 1.00 1.19 H new ATOM 0 HZ3 LYS A 21 12.563 0.230 -0.306 1.00 1.19 H new ATOM 42 N THR A 22 6.618 2.107 -1.638 1.00 0.33 N ATOM 43 CA THR A 22 6.356 2.996 -2.807 1.00 0.29 C ATOM 44 C THR A 22 7.467 4.021 -2.890 1.00 0.34 C ATOM 45 O THR A 22 7.510 4.829 -3.798 1.00 0.37 O ATOM 46 CB THR A 22 5.037 3.673 -2.601 1.00 0.26 C ATOM 47 OG1 THR A 22 5.155 4.124 -1.259 1.00 0.28 O ATOM 48 CG2 THR A 22 3.963 2.598 -2.504 1.00 0.29 C ATOM 0 H THR A 22 6.653 2.612 -0.752 1.00 0.33 H new ATOM 0 HA THR A 22 6.326 2.425 -3.735 1.00 0.29 H new ATOM 0 HB THR A 22 4.809 4.413 -3.368 1.00 0.26 H new ATOM 0 HG1 THR A 22 4.336 4.596 -0.999 1.00 0.28 H new ATOM 0 HG21 THR A 22 2.991 3.067 -2.353 1.00 0.29 H new ATOM 0 HG22 THR A 22 3.946 2.016 -3.426 1.00 0.29 H new ATOM 0 HG23 THR A 22 4.182 1.940 -1.663 1.00 0.29 H new ATOM 56 N GLU A 23 8.318 3.953 -1.896 1.00 0.45 N ATOM 57 CA GLU A 23 9.470 4.864 -1.837 1.00 0.56 C ATOM 58 C GLU A 23 10.647 4.003 -1.343 1.00 0.62 C ATOM 59 O GLU A 23 10.527 2.974 -0.685 1.00 0.78 O ATOM 60 CB GLU A 23 9.232 6.040 -0.829 1.00 0.63 C ATOM 61 CG GLU A 23 8.024 6.975 -1.250 1.00 0.52 C ATOM 62 CD GLU A 23 8.132 8.420 -0.726 1.00 0.84 C ATOM 63 OE1 GLU A 23 9.141 8.750 -0.129 1.00 1.97 O ATOM 64 OE2 GLU A 23 7.202 9.159 -0.968 1.00 0.81 O ATOM 0 H GLU A 23 8.251 3.293 -1.121 1.00 0.45 H new ATOM 0 HA GLU A 23 9.651 5.316 -2.812 1.00 0.56 H new ATOM 0 HB2 GLU A 23 9.039 5.629 0.162 1.00 0.63 H new ATOM 0 HB3 GLU A 23 10.140 6.638 -0.755 1.00 0.63 H new ATOM 0 HG2 GLU A 23 7.959 6.999 -2.338 1.00 0.52 H new ATOM 0 HG3 GLU A 23 7.095 6.536 -0.885 1.00 0.52 H new ATOM 71 N TRP A 24 11.801 4.470 -1.707 1.00 0.52 N ATOM 72 CA TRP A 24 13.031 3.749 -1.284 1.00 0.50 C ATOM 73 C TRP A 24 14.065 4.675 -0.645 1.00 0.38 C ATOM 74 O TRP A 24 15.166 4.832 -1.134 1.00 0.31 O ATOM 75 CB TRP A 24 13.571 3.027 -2.521 1.00 0.43 C ATOM 76 CG TRP A 24 12.571 1.937 -2.888 1.00 0.32 C ATOM 77 CD1 TRP A 24 12.773 0.696 -2.417 1.00 0.33 C ATOM 78 CD2 TRP A 24 11.400 2.003 -3.590 1.00 0.27 C ATOM 79 NE1 TRP A 24 11.709 0.049 -2.833 1.00 0.30 N ATOM 80 CE2 TRP A 24 10.834 0.744 -3.544 1.00 0.28 C ATOM 81 CE3 TRP A 24 10.729 3.000 -4.301 1.00 0.24 C ATOM 82 CZ2 TRP A 24 9.640 0.486 -4.174 1.00 0.26 C ATOM 83 CZ3 TRP A 24 9.515 2.726 -4.942 1.00 0.24 C ATOM 84 CH2 TRP A 24 8.977 1.464 -4.870 1.00 0.26 C ATOM 0 H TRP A 24 11.949 5.307 -2.271 1.00 0.52 H new ATOM 0 HA TRP A 24 12.796 3.029 -0.500 1.00 0.50 H new ATOM 0 HB2 TRP A 24 13.697 3.726 -3.348 1.00 0.43 H new ATOM 0 HB3 TRP A 24 14.551 2.595 -2.316 1.00 0.43 H new ATOM 0 HD1 TRP A 24 13.605 0.322 -1.839 1.00 0.33 H new ATOM 0 HE1 TRP A 24 11.564 -0.938 -2.620 1.00 0.30 H new ATOM 0 HE3 TRP A 24 11.151 3.993 -4.357 1.00 0.24 H new ATOM 0 HZ2 TRP A 24 9.216 -0.506 -4.120 1.00 0.26 H new ATOM 0 HZ3 TRP A 24 9.004 3.503 -5.491 1.00 0.24 H new ATOM 0 HH2 TRP A 24 8.039 1.244 -5.358 1.00 0.26 H new ATOM 95 N PRO A 25 13.691 5.269 0.474 1.00 0.35 N ATOM 96 CA PRO A 25 14.677 6.008 1.339 1.00 0.30 C ATOM 97 C PRO A 25 15.831 5.003 1.495 1.00 0.30 C ATOM 98 O PRO A 25 16.988 5.283 1.287 1.00 0.31 O ATOM 99 CB PRO A 25 13.820 6.354 2.596 1.00 0.33 C ATOM 100 CG PRO A 25 12.607 5.370 2.531 1.00 0.40 C ATOM 101 CD PRO A 25 12.314 5.253 1.038 1.00 0.39 C ATOM 0 HA PRO A 25 15.135 6.939 1.004 1.00 0.30 H new ATOM 0 HB2 PRO A 25 14.391 6.219 3.514 1.00 0.33 H new ATOM 0 HB3 PRO A 25 13.489 7.392 2.576 1.00 0.33 H new ATOM 0 HG2 PRO A 25 12.853 4.402 2.968 1.00 0.40 H new ATOM 0 HG3 PRO A 25 11.748 5.757 3.078 1.00 0.40 H new ATOM 0 HD2 PRO A 25 11.779 4.335 0.794 1.00 0.39 H new ATOM 0 HD3 PRO A 25 11.709 6.082 0.671 1.00 0.39 H new ATOM 109 N GLU A 26 15.380 3.842 1.847 1.00 0.28 N ATOM 110 CA GLU A 26 16.136 2.589 2.086 1.00 0.28 C ATOM 111 C GLU A 26 17.228 2.373 0.977 1.00 0.26 C ATOM 112 O GLU A 26 18.248 1.733 1.169 1.00 0.39 O ATOM 113 CB GLU A 26 14.957 1.619 2.172 1.00 0.28 C ATOM 114 CG GLU A 26 15.376 0.157 2.265 1.00 0.70 C ATOM 115 CD GLU A 26 15.187 -0.590 0.953 1.00 1.58 C ATOM 116 OE1 GLU A 26 14.211 -0.276 0.283 1.00 1.39 O ATOM 117 OE2 GLU A 26 16.033 -1.434 0.731 1.00 3.03 O ATOM 0 H GLU A 26 14.381 3.701 1.997 1.00 0.28 H new ATOM 0 HA GLU A 26 16.773 2.509 2.967 1.00 0.28 H new ATOM 0 HB2 GLU A 26 14.353 1.871 3.043 1.00 0.28 H new ATOM 0 HB3 GLU A 26 14.323 1.752 1.295 1.00 0.28 H new ATOM 0 HG2 GLU A 26 16.423 0.101 2.563 1.00 0.70 H new ATOM 0 HG3 GLU A 26 14.796 -0.335 3.046 1.00 0.70 H new ATOM 124 N LEU A 27 16.962 2.941 -0.175 1.00 0.16 N ATOM 125 CA LEU A 27 17.880 2.853 -1.351 1.00 0.24 C ATOM 126 C LEU A 27 18.775 4.050 -1.639 1.00 0.19 C ATOM 127 O LEU A 27 19.668 3.915 -2.458 1.00 0.22 O ATOM 128 CB LEU A 27 17.074 2.591 -2.618 1.00 0.31 C ATOM 129 CG LEU A 27 16.600 1.156 -2.646 1.00 0.61 C ATOM 130 CD1 LEU A 27 15.742 0.958 -3.889 1.00 1.14 C ATOM 131 CD2 LEU A 27 17.845 0.249 -2.722 1.00 1.03 C ATOM 0 H LEU A 27 16.115 3.481 -0.352 1.00 0.16 H new ATOM 0 HA LEU A 27 18.550 2.040 -1.069 1.00 0.24 H new ATOM 0 HB2 LEU A 27 16.219 3.265 -2.660 1.00 0.31 H new ATOM 0 HB3 LEU A 27 17.686 2.797 -3.496 1.00 0.31 H new ATOM 0 HG LEU A 27 16.016 0.914 -1.758 1.00 0.61 H new ATOM 0 HD11 LEU A 27 15.390 -0.073 -3.928 1.00 1.14 H new ATOM 0 HD12 LEU A 27 14.887 1.633 -3.852 1.00 1.14 H new ATOM 0 HD13 LEU A 27 16.335 1.172 -4.778 1.00 1.14 H new ATOM 0 HD21 LEU A 27 17.534 -0.795 -2.744 1.00 1.03 H new ATOM 0 HD22 LEU A 27 18.408 0.479 -3.627 1.00 1.03 H new ATOM 0 HD23 LEU A 27 18.475 0.422 -1.849 1.00 1.03 H new ATOM 143 N VAL A 28 18.568 5.181 -1.019 1.00 0.17 N ATOM 144 CA VAL A 28 19.462 6.347 -1.311 1.00 0.19 C ATOM 145 C VAL A 28 20.881 5.853 -0.964 1.00 0.34 C ATOM 146 O VAL A 28 21.043 5.085 -0.033 1.00 0.61 O ATOM 147 CB VAL A 28 19.041 7.533 -0.410 1.00 0.34 C ATOM 148 CG1 VAL A 28 19.885 8.768 -0.755 1.00 0.46 C ATOM 149 CG2 VAL A 28 17.570 7.896 -0.649 1.00 0.35 C ATOM 0 H VAL A 28 17.832 5.350 -0.333 1.00 0.17 H new ATOM 0 HA VAL A 28 19.409 6.690 -2.344 1.00 0.19 H new ATOM 0 HB VAL A 28 19.189 7.236 0.628 1.00 0.34 H new ATOM 0 HG11 VAL A 28 19.587 9.602 -0.119 1.00 0.46 H new ATOM 0 HG12 VAL A 28 20.939 8.546 -0.591 1.00 0.46 H new ATOM 0 HG13 VAL A 28 19.729 9.035 -1.800 1.00 0.46 H new ATOM 0 HG21 VAL A 28 17.292 8.732 -0.007 1.00 0.35 H new ATOM 0 HG22 VAL A 28 17.430 8.178 -1.692 1.00 0.35 H new ATOM 0 HG23 VAL A 28 16.941 7.036 -0.418 1.00 0.35 H new ATOM 159 N GLY A 29 21.864 6.281 -1.699 1.00 0.23 N ATOM 160 CA GLY A 29 23.255 5.806 -1.387 1.00 0.40 C ATOM 161 C GLY A 29 23.517 4.379 -1.912 1.00 0.43 C ATOM 162 O GLY A 29 24.556 3.816 -1.627 1.00 0.54 O ATOM 0 H GLY A 29 21.779 6.924 -2.486 1.00 0.23 H new ATOM 0 HA2 GLY A 29 23.978 6.492 -1.828 1.00 0.40 H new ATOM 0 HA3 GLY A 29 23.411 5.829 -0.308 1.00 0.40 H new ATOM 166 N LYS A 30 22.603 3.793 -2.647 1.00 0.38 N ATOM 167 CA LYS A 30 22.839 2.393 -3.184 1.00 0.42 C ATOM 168 C LYS A 30 23.053 2.436 -4.721 1.00 0.34 C ATOM 169 O LYS A 30 22.726 3.451 -5.310 1.00 0.38 O ATOM 170 CB LYS A 30 21.612 1.531 -2.885 1.00 0.51 C ATOM 171 CG LYS A 30 21.253 1.500 -1.389 1.00 0.68 C ATOM 172 CD LYS A 30 22.242 0.668 -0.544 1.00 0.28 C ATOM 173 CE LYS A 30 21.693 0.594 0.897 1.00 0.60 C ATOM 174 NZ LYS A 30 20.332 -0.038 0.839 1.00 1.10 N ATOM 0 H LYS A 30 21.708 4.210 -2.903 1.00 0.38 H new ATOM 0 HA LYS A 30 23.726 1.975 -2.707 1.00 0.42 H new ATOM 0 HB2 LYS A 30 20.761 1.911 -3.450 1.00 0.51 H new ATOM 0 HB3 LYS A 30 21.796 0.514 -3.231 1.00 0.51 H new ATOM 0 HG2 LYS A 30 21.227 2.520 -1.007 1.00 0.68 H new ATOM 0 HG3 LYS A 30 20.250 1.090 -1.271 1.00 0.68 H new ATOM 0 HD2 LYS A 30 22.352 -0.333 -0.962 1.00 0.28 H new ATOM 0 HD3 LYS A 30 23.230 1.127 -0.552 1.00 0.28 H new ATOM 0 HE2 LYS A 30 22.359 0.008 1.530 1.00 0.60 H new ATOM 0 HE3 LYS A 30 21.633 1.591 1.334 1.00 0.60 H new ATOM 0 HZ1 LYS A 30 20.130 -0.512 1.743 1.00 1.10 H new ATOM 0 HZ2 LYS A 30 19.616 0.696 0.665 1.00 1.10 H new ATOM 0 HZ3 LYS A 30 20.306 -0.736 0.069 1.00 1.10 H new ATOM 188 N SER A 31 23.550 1.368 -5.326 1.00 0.30 N ATOM 189 CA SER A 31 23.742 1.448 -6.818 1.00 0.25 C ATOM 190 C SER A 31 22.374 1.327 -7.424 1.00 0.24 C ATOM 191 O SER A 31 21.463 0.732 -6.866 1.00 0.23 O ATOM 192 CB SER A 31 24.578 0.275 -7.463 1.00 0.45 C ATOM 193 OG SER A 31 23.741 -0.859 -7.742 1.00 1.04 O ATOM 0 H SER A 31 23.817 0.491 -4.879 1.00 0.30 H new ATOM 0 HA SER A 31 24.281 2.376 -7.006 1.00 0.25 H new ATOM 0 HB2 SER A 31 25.047 0.621 -8.384 1.00 0.45 H new ATOM 0 HB3 SER A 31 25.381 -0.019 -6.787 1.00 0.45 H new ATOM 0 HG SER A 31 23.764 -1.054 -8.702 1.00 1.04 H new ATOM 199 N VAL A 32 22.267 1.925 -8.564 1.00 0.24 N ATOM 200 CA VAL A 32 20.959 1.833 -9.210 1.00 0.24 C ATOM 201 C VAL A 32 20.511 0.372 -9.495 1.00 0.26 C ATOM 202 O VAL A 32 19.366 0.071 -9.241 1.00 0.32 O ATOM 203 CB VAL A 32 21.082 2.712 -10.442 1.00 0.21 C ATOM 204 CG1 VAL A 32 21.987 2.091 -11.528 1.00 0.23 C ATOM 205 CG2 VAL A 32 19.652 3.008 -10.844 1.00 0.12 C ATOM 0 H VAL A 32 22.993 2.448 -9.053 1.00 0.24 H new ATOM 0 HA VAL A 32 20.154 2.182 -8.563 1.00 0.24 H new ATOM 0 HB VAL A 32 21.606 3.649 -10.254 1.00 0.21 H new ATOM 0 HG11 VAL A 32 22.039 2.762 -12.386 1.00 0.23 H new ATOM 0 HG12 VAL A 32 22.988 1.940 -11.124 1.00 0.23 H new ATOM 0 HG13 VAL A 32 21.574 1.132 -11.842 1.00 0.23 H new ATOM 0 HG21 VAL A 32 19.647 3.641 -11.731 1.00 0.12 H new ATOM 0 HG22 VAL A 32 19.135 2.074 -11.062 1.00 0.12 H new ATOM 0 HG23 VAL A 32 19.144 3.522 -10.028 1.00 0.12 H new ATOM 215 N GLU A 33 21.325 -0.541 -9.979 1.00 0.23 N ATOM 216 CA GLU A 33 20.813 -1.924 -10.226 1.00 0.22 C ATOM 217 C GLU A 33 20.298 -2.473 -8.901 1.00 0.18 C ATOM 218 O GLU A 33 19.238 -3.064 -8.856 1.00 0.14 O ATOM 219 CB GLU A 33 21.942 -2.833 -10.730 1.00 0.31 C ATOM 220 CG GLU A 33 22.716 -2.245 -11.954 1.00 0.50 C ATOM 221 CD GLU A 33 24.115 -1.802 -11.493 1.00 2.89 C ATOM 222 OE1 GLU A 33 24.079 -1.015 -10.552 1.00 3.73 O ATOM 223 OE2 GLU A 33 25.070 -2.277 -12.092 1.00 4.07 O ATOM 0 H GLU A 33 22.307 -0.389 -10.210 1.00 0.23 H new ATOM 0 HA GLU A 33 20.025 -1.895 -10.978 1.00 0.22 H new ATOM 0 HB2 GLU A 33 22.645 -3.010 -9.917 1.00 0.31 H new ATOM 0 HB3 GLU A 33 21.523 -3.801 -11.006 1.00 0.31 H new ATOM 0 HG2 GLU A 33 22.798 -2.993 -12.743 1.00 0.50 H new ATOM 0 HG3 GLU A 33 22.172 -1.399 -12.373 1.00 0.50 H new ATOM 230 N GLU A 34 21.042 -2.260 -7.846 1.00 0.21 N ATOM 231 CA GLU A 34 20.553 -2.788 -6.541 1.00 0.18 C ATOM 232 C GLU A 34 19.211 -2.111 -6.283 1.00 0.18 C ATOM 233 O GLU A 34 18.219 -2.763 -6.040 1.00 0.18 O ATOM 234 CB GLU A 34 21.561 -2.449 -5.447 1.00 0.20 C ATOM 235 CG GLU A 34 21.050 -3.132 -4.126 1.00 0.61 C ATOM 236 CD GLU A 34 20.973 -4.654 -4.301 1.00 1.83 C ATOM 237 OE1 GLU A 34 21.996 -5.220 -4.630 1.00 2.54 O ATOM 238 OE2 GLU A 34 19.911 -5.233 -4.132 1.00 2.65 O ATOM 0 H GLU A 34 21.933 -1.763 -7.829 1.00 0.21 H new ATOM 0 HA GLU A 34 20.437 -3.872 -6.552 1.00 0.18 H new ATOM 0 HB2 GLU A 34 22.554 -2.813 -5.711 1.00 0.20 H new ATOM 0 HB3 GLU A 34 21.641 -1.370 -5.317 1.00 0.20 H new ATOM 0 HG2 GLU A 34 21.720 -2.889 -3.301 1.00 0.61 H new ATOM 0 HG3 GLU A 34 20.067 -2.740 -3.864 1.00 0.61 H new ATOM 245 N ALA A 35 19.195 -0.811 -6.346 1.00 0.19 N ATOM 246 CA ALA A 35 17.924 -0.100 -6.119 1.00 0.18 C ATOM 247 C ALA A 35 16.822 -0.786 -6.918 1.00 0.22 C ATOM 248 O ALA A 35 15.786 -1.100 -6.393 1.00 0.26 O ATOM 249 CB ALA A 35 18.152 1.352 -6.540 1.00 0.18 C ATOM 0 H ALA A 35 20.003 -0.220 -6.543 1.00 0.19 H new ATOM 0 HA ALA A 35 17.608 -0.119 -5.076 1.00 0.18 H new ATOM 0 HB1 ALA A 35 17.235 1.922 -6.390 1.00 0.18 H new ATOM 0 HB2 ALA A 35 18.951 1.784 -5.938 1.00 0.18 H new ATOM 0 HB3 ALA A 35 18.432 1.386 -7.593 1.00 0.18 H new ATOM 255 N LYS A 36 17.048 -1.007 -8.172 1.00 0.19 N ATOM 256 CA LYS A 36 16.024 -1.688 -9.019 1.00 0.17 C ATOM 257 C LYS A 36 15.654 -3.023 -8.352 1.00 0.15 C ATOM 258 O LYS A 36 14.502 -3.269 -8.067 1.00 0.11 O ATOM 259 CB LYS A 36 16.647 -1.896 -10.404 1.00 0.20 C ATOM 260 CG LYS A 36 16.980 -0.537 -11.063 1.00 0.17 C ATOM 261 CD LYS A 36 16.987 -0.816 -12.548 1.00 0.22 C ATOM 262 CE LYS A 36 17.654 0.266 -13.356 1.00 0.34 C ATOM 263 NZ LYS A 36 19.125 0.007 -13.267 1.00 1.10 N ATOM 0 H LYS A 36 17.905 -0.746 -8.660 1.00 0.19 H new ATOM 0 HA LYS A 36 15.112 -1.101 -9.123 1.00 0.17 H new ATOM 0 HB2 LYS A 36 17.554 -2.494 -10.314 1.00 0.20 H new ATOM 0 HB3 LYS A 36 15.958 -2.454 -11.038 1.00 0.20 H new ATOM 0 HG2 LYS A 36 16.238 0.219 -10.807 1.00 0.17 H new ATOM 0 HG3 LYS A 36 17.947 -0.161 -10.727 1.00 0.17 H new ATOM 0 HD2 LYS A 36 17.497 -1.762 -12.730 1.00 0.22 H new ATOM 0 HD3 LYS A 36 15.960 -0.936 -12.893 1.00 0.22 H new ATOM 0 HE2 LYS A 36 17.317 0.242 -14.392 1.00 0.34 H new ATOM 0 HE3 LYS A 36 17.408 1.253 -12.963 1.00 0.34 H new ATOM 0 HZ1 LYS A 36 19.634 0.688 -13.865 1.00 1.10 H new ATOM 0 HZ2 LYS A 36 19.437 0.112 -12.280 1.00 1.10 H new ATOM 0 HZ3 LYS A 36 19.328 -0.959 -13.593 1.00 1.10 H new ATOM 277 N LYS A 37 16.645 -3.837 -8.113 1.00 0.19 N ATOM 278 CA LYS A 37 16.462 -5.173 -7.469 1.00 0.23 C ATOM 279 C LYS A 37 15.601 -5.060 -6.208 1.00 0.30 C ATOM 280 O LYS A 37 14.793 -5.924 -5.936 1.00 0.48 O ATOM 281 CB LYS A 37 17.888 -5.723 -7.169 1.00 0.31 C ATOM 282 CG LYS A 37 18.590 -5.990 -8.524 1.00 1.83 C ATOM 283 CD LYS A 37 20.132 -6.155 -8.403 1.00 2.22 C ATOM 284 CE LYS A 37 20.596 -7.262 -7.449 1.00 1.97 C ATOM 285 NZ LYS A 37 20.477 -6.832 -6.027 1.00 1.21 N ATOM 0 H LYS A 37 17.614 -3.622 -8.347 1.00 0.19 H new ATOM 0 HA LYS A 37 15.929 -5.862 -8.125 1.00 0.23 H new ATOM 0 HB2 LYS A 37 18.458 -5.005 -6.579 1.00 0.31 H new ATOM 0 HB3 LYS A 37 17.828 -6.640 -6.583 1.00 0.31 H new ATOM 0 HG2 LYS A 37 18.170 -6.892 -8.970 1.00 1.83 H new ATOM 0 HG3 LYS A 37 18.373 -5.167 -9.205 1.00 1.83 H new ATOM 0 HD2 LYS A 37 20.539 -6.357 -9.394 1.00 2.22 H new ATOM 0 HD3 LYS A 37 20.558 -5.208 -8.070 1.00 2.22 H new ATOM 0 HE2 LYS A 37 19.999 -8.160 -7.612 1.00 1.97 H new ATOM 0 HE3 LYS A 37 21.631 -7.524 -7.667 1.00 1.97 H new ATOM 0 HZ1 LYS A 37 21.415 -6.564 -5.666 1.00 1.21 H new ATOM 0 HZ2 LYS A 37 19.836 -6.016 -5.964 1.00 1.21 H new ATOM 0 HZ3 LYS A 37 20.097 -7.615 -5.458 1.00 1.21 H new ATOM 299 N VAL A 38 15.809 -3.991 -5.492 1.00 0.23 N ATOM 300 CA VAL A 38 15.062 -3.704 -4.234 1.00 0.26 C ATOM 301 C VAL A 38 13.644 -3.224 -4.569 1.00 0.18 C ATOM 302 O VAL A 38 12.665 -3.714 -4.046 1.00 0.18 O ATOM 303 CB VAL A 38 15.885 -2.658 -3.499 1.00 0.40 C ATOM 304 CG1 VAL A 38 15.056 -1.992 -2.411 1.00 0.45 C ATOM 305 CG2 VAL A 38 17.138 -3.329 -2.908 1.00 0.52 C ATOM 0 H VAL A 38 16.494 -3.276 -5.738 1.00 0.23 H new ATOM 0 HA VAL A 38 14.934 -4.584 -3.604 1.00 0.26 H new ATOM 0 HB VAL A 38 16.194 -1.880 -4.197 1.00 0.40 H new ATOM 0 HG11 VAL A 38 15.662 -1.247 -1.896 1.00 0.45 H new ATOM 0 HG12 VAL A 38 14.189 -1.507 -2.860 1.00 0.45 H new ATOM 0 HG13 VAL A 38 14.722 -2.744 -1.696 1.00 0.45 H new ATOM 0 HG21 VAL A 38 17.734 -2.585 -2.379 1.00 0.52 H new ATOM 0 HG22 VAL A 38 16.837 -4.114 -2.214 1.00 0.52 H new ATOM 0 HG23 VAL A 38 17.731 -3.764 -3.712 1.00 0.52 H new ATOM 315 N ILE A 39 13.540 -2.260 -5.440 1.00 0.15 N ATOM 316 CA ILE A 39 12.212 -1.726 -5.848 1.00 0.14 C ATOM 317 C ILE A 39 11.413 -2.934 -6.292 1.00 0.17 C ATOM 318 O ILE A 39 10.246 -3.012 -5.989 1.00 0.25 O ATOM 319 CB ILE A 39 12.539 -0.686 -6.916 1.00 0.06 C ATOM 320 CG1 ILE A 39 13.030 0.486 -6.024 1.00 0.09 C ATOM 321 CG2 ILE A 39 11.259 -0.259 -7.680 1.00 0.15 C ATOM 322 CD1 ILE A 39 13.923 1.479 -6.701 1.00 0.13 C ATOM 0 H ILE A 39 14.335 -1.812 -5.895 1.00 0.15 H new ATOM 0 HA ILE A 39 11.604 -1.227 -5.093 1.00 0.14 H new ATOM 0 HB ILE A 39 13.243 -1.025 -7.676 1.00 0.06 H new ATOM 0 HG12 ILE A 39 12.159 1.013 -5.634 1.00 0.09 H new ATOM 0 HG13 ILE A 39 13.561 0.070 -5.167 1.00 0.09 H new ATOM 0 HG21 ILE A 39 11.517 0.483 -8.436 1.00 0.15 H new ATOM 0 HG22 ILE A 39 10.816 -1.130 -8.163 1.00 0.15 H new ATOM 0 HG23 ILE A 39 10.543 0.171 -6.979 1.00 0.15 H new ATOM 0 HD11 ILE A 39 14.208 2.255 -5.991 1.00 0.13 H new ATOM 0 HD12 ILE A 39 14.818 0.974 -7.066 1.00 0.13 H new ATOM 0 HD13 ILE A 39 13.394 1.931 -7.540 1.00 0.13 H new ATOM 334 N LEU A 40 12.039 -3.837 -6.991 1.00 0.13 N ATOM 335 CA LEU A 40 11.306 -5.056 -7.425 1.00 0.18 C ATOM 336 C LEU A 40 10.926 -5.830 -6.156 1.00 0.20 C ATOM 337 O LEU A 40 9.840 -6.357 -6.097 1.00 0.22 O ATOM 338 CB LEU A 40 12.212 -5.911 -8.321 1.00 0.20 C ATOM 339 CG LEU A 40 12.476 -5.227 -9.658 1.00 0.19 C ATOM 340 CD1 LEU A 40 13.166 -6.268 -10.537 1.00 0.30 C ATOM 341 CD2 LEU A 40 11.180 -4.756 -10.335 1.00 0.24 C ATOM 0 H LEU A 40 13.016 -3.785 -7.278 1.00 0.13 H new ATOM 0 HA LEU A 40 10.414 -4.798 -7.996 1.00 0.18 H new ATOM 0 HB2 LEU A 40 13.158 -6.097 -7.813 1.00 0.20 H new ATOM 0 HB3 LEU A 40 11.746 -6.881 -8.493 1.00 0.20 H new ATOM 0 HG LEU A 40 13.087 -4.337 -9.507 1.00 0.19 H new ATOM 0 HD11 LEU A 40 13.382 -5.834 -11.513 1.00 0.30 H new ATOM 0 HD12 LEU A 40 14.097 -6.582 -10.066 1.00 0.30 H new ATOM 0 HD13 LEU A 40 12.512 -7.131 -10.660 1.00 0.30 H new ATOM 0 HD21 LEU A 40 11.419 -4.275 -11.284 1.00 0.24 H new ATOM 0 HD22 LEU A 40 10.532 -5.613 -10.516 1.00 0.24 H new ATOM 0 HD23 LEU A 40 10.668 -4.045 -9.686 1.00 0.24 H new ATOM 353 N GLN A 41 11.796 -5.906 -5.179 1.00 0.23 N ATOM 354 CA GLN A 41 11.435 -6.651 -3.929 1.00 0.25 C ATOM 355 C GLN A 41 10.107 -6.086 -3.371 1.00 0.26 C ATOM 356 O GLN A 41 9.221 -6.823 -2.985 1.00 0.26 O ATOM 357 CB GLN A 41 12.583 -6.508 -2.872 1.00 0.25 C ATOM 358 CG GLN A 41 13.761 -7.470 -3.232 1.00 0.87 C ATOM 359 CD GLN A 41 14.979 -7.341 -2.297 1.00 0.90 C ATOM 360 OE1 GLN A 41 15.860 -8.173 -2.294 1.00 1.32 O ATOM 361 NE2 GLN A 41 15.114 -6.343 -1.479 1.00 0.59 N ATOM 0 H GLN A 41 12.728 -5.492 -5.189 1.00 0.23 H new ATOM 0 HA GLN A 41 11.307 -7.710 -4.153 1.00 0.25 H new ATOM 0 HB2 GLN A 41 12.938 -5.478 -2.846 1.00 0.25 H new ATOM 0 HB3 GLN A 41 12.204 -6.740 -1.877 1.00 0.25 H new ATOM 0 HG2 GLN A 41 13.400 -8.498 -3.203 1.00 0.87 H new ATOM 0 HG3 GLN A 41 14.079 -7.273 -4.256 1.00 0.87 H new ATOM 0 HE21 GLN A 41 14.401 -5.614 -1.441 1.00 0.59 H new ATOM 0 HE22 GLN A 41 15.933 -6.287 -0.874 1.00 0.59 H new ATOM 370 N ASP A 42 10.018 -4.786 -3.357 1.00 0.27 N ATOM 371 CA ASP A 42 8.808 -4.095 -2.858 1.00 0.26 C ATOM 372 C ASP A 42 7.620 -4.256 -3.797 1.00 0.25 C ATOM 373 O ASP A 42 6.531 -4.659 -3.433 1.00 0.29 O ATOM 374 CB ASP A 42 9.200 -2.630 -2.704 1.00 0.22 C ATOM 375 CG ASP A 42 9.846 -2.448 -1.386 1.00 0.26 C ATOM 376 OD1 ASP A 42 9.069 -2.555 -0.450 1.00 0.87 O ATOM 377 OD2 ASP A 42 11.038 -2.208 -1.424 1.00 0.85 O ATOM 0 H ASP A 42 10.757 -4.161 -3.681 1.00 0.27 H new ATOM 0 HA ASP A 42 8.481 -4.526 -1.912 1.00 0.26 H new ATOM 0 HB2 ASP A 42 9.881 -2.335 -3.502 1.00 0.22 H new ATOM 0 HB3 ASP A 42 8.319 -1.993 -2.784 1.00 0.22 H new ATOM 382 N LYS A 43 7.917 -3.917 -5.006 1.00 0.22 N ATOM 383 CA LYS A 43 6.976 -3.951 -6.123 1.00 0.25 C ATOM 384 C LYS A 43 7.576 -4.720 -7.332 1.00 0.24 C ATOM 385 O LYS A 43 8.094 -4.122 -8.257 1.00 0.25 O ATOM 386 CB LYS A 43 6.721 -2.481 -6.307 1.00 0.32 C ATOM 387 CG LYS A 43 5.572 -2.290 -7.244 1.00 0.48 C ATOM 388 CD LYS A 43 5.315 -0.782 -7.340 1.00 0.52 C ATOM 389 CE LYS A 43 4.683 -0.551 -8.660 1.00 0.57 C ATOM 390 NZ LYS A 43 3.320 -1.198 -8.714 1.00 1.39 N ATOM 0 H LYS A 43 8.847 -3.595 -5.274 1.00 0.22 H new ATOM 0 HA LYS A 43 6.045 -4.498 -5.976 1.00 0.25 H new ATOM 0 HB2 LYS A 43 6.502 -2.016 -5.346 1.00 0.32 H new ATOM 0 HB3 LYS A 43 7.612 -1.993 -6.702 1.00 0.32 H new ATOM 0 HG2 LYS A 43 5.802 -2.705 -8.225 1.00 0.48 H new ATOM 0 HG3 LYS A 43 4.686 -2.809 -6.878 1.00 0.48 H new ATOM 0 HD2 LYS A 43 4.664 -0.446 -6.533 1.00 0.52 H new ATOM 0 HD3 LYS A 43 6.246 -0.222 -7.252 1.00 0.52 H new ATOM 0 HE2 LYS A 43 4.591 0.520 -8.844 1.00 0.57 H new ATOM 0 HE3 LYS A 43 5.316 -0.957 -9.449 1.00 0.57 H new ATOM 0 HZ1 LYS A 43 3.284 -1.865 -9.511 1.00 1.39 H new ATOM 0 HZ2 LYS A 43 3.143 -1.710 -7.826 1.00 1.39 H new ATOM 0 HZ3 LYS A 43 2.593 -0.466 -8.842 1.00 1.39 H new ATOM 404 N PRO A 44 7.489 -6.032 -7.303 1.00 0.21 N ATOM 405 CA PRO A 44 7.976 -6.913 -8.410 1.00 0.11 C ATOM 406 C PRO A 44 7.432 -6.453 -9.775 1.00 0.30 C ATOM 407 O PRO A 44 8.094 -6.547 -10.789 1.00 0.40 O ATOM 408 CB PRO A 44 7.517 -8.316 -7.973 1.00 0.21 C ATOM 409 CG PRO A 44 7.535 -8.213 -6.429 1.00 0.38 C ATOM 410 CD PRO A 44 6.908 -6.827 -6.186 1.00 0.31 C ATOM 0 HA PRO A 44 9.055 -6.887 -8.562 1.00 0.11 H new ATOM 0 HB2 PRO A 44 6.523 -8.553 -8.352 1.00 0.21 H new ATOM 0 HB3 PRO A 44 8.190 -9.093 -8.335 1.00 0.21 H new ATOM 0 HG2 PRO A 44 6.956 -9.009 -5.961 1.00 0.38 H new ATOM 0 HG3 PRO A 44 8.547 -8.278 -6.029 1.00 0.38 H new ATOM 0 HD2 PRO A 44 5.819 -6.857 -6.228 1.00 0.31 H new ATOM 0 HD3 PRO A 44 7.178 -6.421 -5.211 1.00 0.31 H new ATOM 418 N GLU A 45 6.226 -5.958 -9.707 1.00 0.49 N ATOM 419 CA GLU A 45 5.446 -5.436 -10.867 1.00 0.76 C ATOM 420 C GLU A 45 5.951 -4.053 -11.344 1.00 0.67 C ATOM 421 O GLU A 45 5.402 -3.468 -12.261 1.00 0.89 O ATOM 422 CB GLU A 45 3.961 -5.400 -10.380 1.00 1.05 C ATOM 423 CG GLU A 45 3.836 -4.517 -9.073 1.00 2.10 C ATOM 424 CD GLU A 45 2.414 -4.289 -8.527 1.00 2.37 C ATOM 425 OE1 GLU A 45 1.499 -5.022 -8.846 1.00 2.18 O ATOM 426 OE2 GLU A 45 2.365 -3.328 -7.773 1.00 3.06 O ATOM 0 H GLU A 45 5.716 -5.891 -8.826 1.00 0.49 H new ATOM 0 HA GLU A 45 5.559 -6.073 -11.744 1.00 0.76 H new ATOM 0 HB2 GLU A 45 3.323 -4.993 -11.165 1.00 1.05 H new ATOM 0 HB3 GLU A 45 3.612 -6.413 -10.178 1.00 1.05 H new ATOM 0 HG2 GLU A 45 4.431 -4.984 -8.288 1.00 2.10 H new ATOM 0 HG3 GLU A 45 4.283 -3.544 -9.276 1.00 2.10 H new ATOM 433 N ALA A 46 6.978 -3.547 -10.719 1.00 0.34 N ATOM 434 CA ALA A 46 7.524 -2.224 -11.116 1.00 0.23 C ATOM 435 C ALA A 46 8.473 -2.139 -12.354 1.00 0.27 C ATOM 436 O ALA A 46 9.392 -2.923 -12.510 1.00 0.48 O ATOM 437 CB ALA A 46 8.256 -1.654 -9.880 1.00 0.35 C ATOM 0 H ALA A 46 7.464 -3.999 -9.945 1.00 0.34 H new ATOM 0 HA ALA A 46 6.656 -1.655 -11.450 1.00 0.23 H new ATOM 0 HB1 ALA A 46 8.676 -0.678 -10.124 1.00 0.35 H new ATOM 0 HB2 ALA A 46 7.551 -1.550 -9.055 1.00 0.35 H new ATOM 0 HB3 ALA A 46 9.058 -2.332 -9.588 1.00 0.35 H new ATOM 443 N GLN A 47 8.213 -1.168 -13.190 1.00 0.25 N ATOM 444 CA GLN A 47 9.038 -0.944 -14.401 1.00 0.51 C ATOM 445 C GLN A 47 9.870 0.180 -13.748 1.00 0.51 C ATOM 446 O GLN A 47 9.372 1.220 -13.334 1.00 0.67 O ATOM 447 CB GLN A 47 8.095 -0.496 -15.559 1.00 0.64 C ATOM 448 CG GLN A 47 8.397 0.946 -15.996 1.00 1.76 C ATOM 449 CD GLN A 47 7.936 1.162 -17.425 1.00 1.62 C ATOM 450 OE1 GLN A 47 6.862 1.637 -17.722 1.00 1.25 O ATOM 451 NE2 GLN A 47 8.741 0.807 -18.371 1.00 2.23 N ATOM 0 H GLN A 47 7.443 -0.508 -13.076 1.00 0.25 H new ATOM 0 HA GLN A 47 9.615 -1.746 -14.862 1.00 0.51 H new ATOM 0 HB2 GLN A 47 8.213 -1.168 -16.409 1.00 0.64 H new ATOM 0 HB3 GLN A 47 7.057 -0.571 -15.236 1.00 0.64 H new ATOM 0 HG2 GLN A 47 7.893 1.649 -15.332 1.00 1.76 H new ATOM 0 HG3 GLN A 47 9.466 1.143 -15.916 1.00 1.76 H new ATOM 0 HE21 GLN A 47 9.650 0.405 -18.143 1.00 2.23 H new ATOM 0 HE22 GLN A 47 8.467 0.929 -19.346 1.00 2.23 H new ATOM 460 N ILE A 48 11.138 -0.064 -13.679 1.00 0.47 N ATOM 461 CA ILE A 48 12.047 0.918 -13.048 1.00 0.34 C ATOM 462 C ILE A 48 12.661 1.857 -14.081 1.00 0.24 C ATOM 463 O ILE A 48 13.468 1.473 -14.902 1.00 0.28 O ATOM 464 CB ILE A 48 13.127 0.110 -12.310 1.00 0.38 C ATOM 465 CG1 ILE A 48 12.603 -1.298 -11.798 1.00 0.79 C ATOM 466 CG2 ILE A 48 13.580 0.963 -11.090 1.00 0.15 C ATOM 467 CD1 ILE A 48 11.858 -1.212 -10.490 1.00 0.78 C ATOM 0 H ILE A 48 11.589 -0.907 -14.035 1.00 0.47 H new ATOM 0 HA ILE A 48 11.501 1.556 -12.354 1.00 0.34 H new ATOM 0 HB ILE A 48 13.945 -0.096 -13.001 1.00 0.38 H new ATOM 0 HG12 ILE A 48 11.949 -1.732 -12.554 1.00 0.79 H new ATOM 0 HG13 ILE A 48 13.450 -1.974 -11.683 1.00 0.79 H new ATOM 0 HG21 ILE A 48 14.349 0.425 -10.536 1.00 0.15 H new ATOM 0 HG22 ILE A 48 13.983 1.914 -11.440 1.00 0.15 H new ATOM 0 HG23 ILE A 48 12.726 1.149 -10.439 1.00 0.15 H new ATOM 0 HD11 ILE A 48 11.526 -2.207 -10.194 1.00 0.78 H new ATOM 0 HD12 ILE A 48 12.517 -0.806 -9.722 1.00 0.78 H new ATOM 0 HD13 ILE A 48 10.992 -0.560 -10.607 1.00 0.78 H new ATOM 479 N ILE A 49 12.245 3.076 -13.969 1.00 0.14 N ATOM 480 CA ILE A 49 12.669 4.208 -14.849 1.00 0.05 C ATOM 481 C ILE A 49 13.758 5.031 -14.167 1.00 0.02 C ATOM 482 O ILE A 49 13.736 5.131 -12.965 1.00 0.07 O ATOM 483 CB ILE A 49 11.423 5.005 -15.090 1.00 0.08 C ATOM 484 CG1 ILE A 49 10.625 4.190 -16.130 1.00 0.11 C ATOM 485 CG2 ILE A 49 11.730 6.492 -15.445 1.00 0.26 C ATOM 486 CD1 ILE A 49 9.655 5.082 -16.821 1.00 0.15 C ATOM 0 H ILE A 49 11.578 3.360 -13.251 1.00 0.14 H new ATOM 0 HA ILE A 49 13.101 3.870 -15.791 1.00 0.05 H new ATOM 0 HB ILE A 49 10.808 5.133 -14.199 1.00 0.08 H new ATOM 0 HG12 ILE A 49 11.304 3.742 -16.855 1.00 0.11 H new ATOM 0 HG13 ILE A 49 10.097 3.372 -15.640 1.00 0.11 H new ATOM 0 HG21 ILE A 49 10.795 7.027 -15.610 1.00 0.26 H new ATOM 0 HG22 ILE A 49 12.274 6.957 -14.623 1.00 0.26 H new ATOM 0 HG23 ILE A 49 12.336 6.532 -16.350 1.00 0.26 H new ATOM 0 HD11 ILE A 49 9.091 4.507 -17.556 1.00 0.15 H new ATOM 0 HD12 ILE A 49 8.968 5.509 -16.090 1.00 0.15 H new ATOM 0 HD13 ILE A 49 10.194 5.885 -17.325 1.00 0.15 H new ATOM 498 N VAL A 50 14.672 5.620 -14.888 1.00 0.07 N ATOM 499 CA VAL A 50 15.754 6.437 -14.266 1.00 0.04 C ATOM 500 C VAL A 50 15.896 7.896 -14.781 1.00 0.11 C ATOM 501 O VAL A 50 15.917 8.135 -15.971 1.00 0.29 O ATOM 502 CB VAL A 50 17.106 5.693 -14.472 1.00 0.12 C ATOM 503 CG1 VAL A 50 18.219 6.402 -13.720 1.00 0.09 C ATOM 504 CG2 VAL A 50 17.044 4.269 -13.920 1.00 0.26 C ATOM 0 H VAL A 50 14.715 5.568 -15.906 1.00 0.07 H new ATOM 0 HA VAL A 50 15.475 6.540 -13.217 1.00 0.04 H new ATOM 0 HB VAL A 50 17.297 5.679 -15.545 1.00 0.12 H new ATOM 0 HG11 VAL A 50 19.158 5.870 -13.874 1.00 0.09 H new ATOM 0 HG12 VAL A 50 18.315 7.423 -14.090 1.00 0.09 H new ATOM 0 HG13 VAL A 50 17.983 6.423 -12.656 1.00 0.09 H new ATOM 0 HG21 VAL A 50 18.003 3.775 -14.079 1.00 0.26 H new ATOM 0 HG22 VAL A 50 16.825 4.302 -12.853 1.00 0.26 H new ATOM 0 HG23 VAL A 50 16.260 3.713 -14.434 1.00 0.26 H new ATOM 514 N LEU A 51 15.976 8.810 -13.849 1.00 0.07 N ATOM 515 CA LEU A 51 16.133 10.285 -14.083 1.00 0.11 C ATOM 516 C LEU A 51 17.219 10.725 -13.054 1.00 0.19 C ATOM 517 O LEU A 51 17.833 9.892 -12.412 1.00 0.21 O ATOM 518 CB LEU A 51 14.785 11.021 -13.774 1.00 0.11 C ATOM 519 CG LEU A 51 14.604 11.205 -12.212 1.00 0.22 C ATOM 520 CD1 LEU A 51 14.284 12.664 -11.916 1.00 0.46 C ATOM 521 CD2 LEU A 51 13.426 10.417 -11.674 1.00 0.53 C ATOM 0 H LEU A 51 15.936 8.574 -12.858 1.00 0.07 H new ATOM 0 HA LEU A 51 16.406 10.519 -15.112 1.00 0.11 H new ATOM 0 HB2 LEU A 51 14.773 11.994 -14.265 1.00 0.11 H new ATOM 0 HB3 LEU A 51 13.950 10.449 -14.179 1.00 0.11 H new ATOM 0 HG LEU A 51 15.529 10.863 -11.748 1.00 0.22 H new ATOM 0 HD11 LEU A 51 14.158 12.798 -10.842 1.00 0.46 H new ATOM 0 HD12 LEU A 51 15.101 13.294 -12.267 1.00 0.46 H new ATOM 0 HD13 LEU A 51 13.363 12.946 -12.427 1.00 0.46 H new ATOM 0 HD21 LEU A 51 13.343 10.575 -10.599 1.00 0.53 H new ATOM 0 HD22 LEU A 51 12.511 10.752 -12.162 1.00 0.53 H new ATOM 0 HD23 LEU A 51 13.576 9.356 -11.874 1.00 0.53 H new ATOM 533 N GLU A 52 17.416 12.005 -12.906 1.00 0.28 N ATOM 534 CA GLU A 52 18.422 12.540 -11.931 1.00 0.39 C ATOM 535 C GLU A 52 17.588 13.119 -10.761 1.00 0.33 C ATOM 536 O GLU A 52 16.478 12.708 -10.483 1.00 0.65 O ATOM 537 CB GLU A 52 19.284 13.626 -12.672 1.00 0.56 C ATOM 538 CG GLU A 52 20.253 12.894 -13.673 1.00 1.32 C ATOM 539 CD GLU A 52 21.422 13.771 -14.120 1.00 2.15 C ATOM 540 OE1 GLU A 52 22.125 14.266 -13.254 1.00 3.00 O ATOM 541 OE2 GLU A 52 21.624 13.938 -15.311 1.00 2.27 O ATOM 0 H GLU A 52 16.914 12.722 -13.429 1.00 0.28 H new ATOM 0 HA GLU A 52 19.118 11.795 -11.545 1.00 0.39 H new ATOM 0 HB2 GLU A 52 18.638 14.321 -13.209 1.00 0.56 H new ATOM 0 HB3 GLU A 52 19.855 14.213 -11.952 1.00 0.56 H new ATOM 0 HG2 GLU A 52 20.642 11.992 -13.200 1.00 1.32 H new ATOM 0 HG3 GLU A 52 19.689 12.576 -14.549 1.00 1.32 H new ATOM 548 N LYS A 53 18.140 14.042 -10.038 1.00 0.34 N ATOM 549 CA LYS A 53 17.380 14.674 -8.905 1.00 0.49 C ATOM 550 C LYS A 53 16.026 15.107 -9.547 1.00 0.67 C ATOM 551 O LYS A 53 16.058 15.426 -10.719 1.00 1.47 O ATOM 552 CB LYS A 53 18.181 15.905 -8.385 1.00 0.62 C ATOM 553 CG LYS A 53 17.285 16.790 -7.450 1.00 1.66 C ATOM 554 CD LYS A 53 18.119 17.886 -6.693 1.00 2.21 C ATOM 555 CE LYS A 53 18.708 17.325 -5.386 1.00 2.57 C ATOM 556 NZ LYS A 53 19.494 18.409 -4.701 1.00 3.49 N ATOM 0 H LYS A 53 19.087 14.396 -10.173 1.00 0.34 H new ATOM 0 HA LYS A 53 17.225 14.011 -8.054 1.00 0.49 H new ATOM 0 HB2 LYS A 53 19.063 15.568 -7.840 1.00 0.62 H new ATOM 0 HB3 LYS A 53 18.534 16.499 -9.228 1.00 0.62 H new ATOM 0 HG2 LYS A 53 16.509 17.272 -8.044 1.00 1.66 H new ATOM 0 HG3 LYS A 53 16.781 16.153 -6.723 1.00 1.66 H new ATOM 0 HD2 LYS A 53 18.924 18.244 -7.335 1.00 2.21 H new ATOM 0 HD3 LYS A 53 17.483 18.743 -6.471 1.00 2.21 H new ATOM 0 HE2 LYS A 53 17.909 16.970 -4.735 1.00 2.57 H new ATOM 0 HE3 LYS A 53 19.350 16.470 -5.598 1.00 2.57 H new ATOM 0 HZ1 LYS A 53 19.896 18.040 -3.816 1.00 3.49 H new ATOM 0 HZ2 LYS A 53 20.263 18.727 -5.325 1.00 3.49 H new ATOM 0 HZ3 LYS A 53 18.867 19.211 -4.488 1.00 3.49 H new ATOM 570 N GLN A 54 14.920 15.133 -8.848 1.00 1.08 N ATOM 571 CA GLN A 54 13.612 15.545 -9.474 1.00 1.45 C ATOM 572 C GLN A 54 13.581 16.757 -10.469 1.00 1.15 C ATOM 573 O GLN A 54 13.042 17.804 -10.176 1.00 1.11 O ATOM 574 CB GLN A 54 12.642 15.793 -8.296 1.00 2.12 C ATOM 575 CG GLN A 54 12.185 14.438 -7.673 1.00 3.57 C ATOM 576 CD GLN A 54 11.194 14.708 -6.551 1.00 4.26 C ATOM 577 OE1 GLN A 54 11.431 14.418 -5.395 1.00 4.38 O ATOM 578 NE2 GLN A 54 10.060 15.266 -6.824 1.00 4.93 N ATOM 0 H GLN A 54 14.860 14.885 -7.860 1.00 1.08 H new ATOM 0 HA GLN A 54 13.340 14.730 -10.145 1.00 1.45 H new ATOM 0 HB2 GLN A 54 13.131 16.403 -7.536 1.00 2.12 H new ATOM 0 HB3 GLN A 54 11.773 16.352 -8.644 1.00 2.12 H new ATOM 0 HG2 GLN A 54 11.725 13.811 -8.436 1.00 3.57 H new ATOM 0 HG3 GLN A 54 13.047 13.892 -7.289 1.00 3.57 H new ATOM 0 HE21 GLN A 54 9.835 15.520 -7.786 1.00 4.93 H new ATOM 0 HE22 GLN A 54 9.390 15.452 -6.077 1.00 4.93 H new ATOM 587 N ALA A 55 14.179 16.587 -11.623 1.00 1.12 N ATOM 588 CA ALA A 55 14.219 17.662 -12.676 1.00 1.17 C ATOM 589 C ALA A 55 13.311 17.349 -13.882 1.00 1.76 C ATOM 590 O ALA A 55 13.373 17.931 -14.951 1.00 2.62 O ATOM 591 CB ALA A 55 15.705 17.802 -13.081 1.00 1.27 C ATOM 0 H ALA A 55 14.655 15.725 -11.890 1.00 1.12 H new ATOM 0 HA ALA A 55 13.827 18.601 -12.285 1.00 1.17 H new ATOM 0 HB1 ALA A 55 15.802 18.571 -13.847 1.00 1.27 H new ATOM 0 HB2 ALA A 55 16.295 18.082 -12.208 1.00 1.27 H new ATOM 0 HB3 ALA A 55 16.066 16.851 -13.473 1.00 1.27 H new ATOM 597 N VAL A 56 12.457 16.413 -13.619 1.00 1.56 N ATOM 598 CA VAL A 56 11.463 15.910 -14.626 1.00 2.04 C ATOM 599 C VAL A 56 10.040 15.824 -14.075 1.00 1.42 C ATOM 600 O VAL A 56 9.142 15.174 -14.572 1.00 2.30 O ATOM 601 CB VAL A 56 12.037 14.590 -15.036 1.00 3.33 C ATOM 602 CG1 VAL A 56 11.746 13.625 -13.886 1.00 3.17 C ATOM 603 CG2 VAL A 56 11.383 14.136 -16.357 1.00 3.98 C ATOM 0 H VAL A 56 12.396 15.949 -12.713 1.00 1.56 H new ATOM 0 HA VAL A 56 11.335 16.585 -15.473 1.00 2.04 H new ATOM 0 HB VAL A 56 13.111 14.637 -15.218 1.00 3.33 H new ATOM 0 HG11 VAL A 56 12.143 12.639 -14.129 1.00 3.17 H new ATOM 0 HG12 VAL A 56 12.218 13.992 -12.975 1.00 3.17 H new ATOM 0 HG13 VAL A 56 10.669 13.554 -13.734 1.00 3.17 H new ATOM 0 HG21 VAL A 56 11.800 13.175 -16.658 1.00 3.98 H new ATOM 0 HG22 VAL A 56 10.307 14.037 -16.215 1.00 3.98 H new ATOM 0 HG23 VAL A 56 11.580 14.875 -17.133 1.00 3.98 H new ATOM 613 N ASP A 57 9.904 16.546 -13.027 1.00 0.73 N ATOM 614 CA ASP A 57 8.628 16.663 -12.278 1.00 1.65 C ATOM 615 C ASP A 57 7.907 17.896 -12.914 1.00 1.56 C ATOM 616 O ASP A 57 7.385 18.807 -12.300 1.00 2.83 O ATOM 617 CB ASP A 57 9.127 16.792 -10.816 1.00 3.12 C ATOM 618 CG ASP A 57 9.959 15.559 -10.409 1.00 4.16 C ATOM 619 OD1 ASP A 57 11.005 15.323 -11.016 1.00 4.03 O ATOM 620 OD2 ASP A 57 9.473 14.924 -9.489 1.00 5.37 O ATOM 0 H ASP A 57 10.664 17.096 -12.627 1.00 0.73 H new ATOM 0 HA ASP A 57 7.895 15.857 -12.310 1.00 1.65 H new ATOM 0 HB2 ASP A 57 9.730 17.694 -10.711 1.00 3.12 H new ATOM 0 HB3 ASP A 57 8.275 16.899 -10.145 1.00 3.12 H new ATOM 625 N ASN A 58 7.925 17.827 -14.223 1.00 0.86 N ATOM 626 CA ASN A 58 7.327 18.866 -15.114 1.00 1.97 C ATOM 627 C ASN A 58 6.545 18.339 -16.323 1.00 1.73 C ATOM 628 O ASN A 58 5.373 18.594 -16.494 1.00 2.32 O ATOM 629 CB ASN A 58 8.524 19.803 -15.524 1.00 2.82 C ATOM 630 CG ASN A 58 9.794 18.995 -15.799 1.00 3.14 C ATOM 631 OD1 ASN A 58 9.801 18.058 -16.563 1.00 3.47 O ATOM 632 ND2 ASN A 58 10.909 19.289 -15.212 1.00 3.56 N ATOM 0 H ASN A 58 8.352 17.053 -14.732 1.00 0.86 H new ATOM 0 HA ASN A 58 6.546 19.399 -14.571 1.00 1.97 H new ATOM 0 HB2 ASN A 58 8.254 20.374 -16.413 1.00 2.82 H new ATOM 0 HB3 ASN A 58 8.714 20.523 -14.728 1.00 2.82 H new ATOM 0 HD21 ASN A 58 11.746 18.738 -15.402 1.00 3.56 H new ATOM 0 HD22 ASN A 58 10.951 20.072 -14.559 1.00 3.56 H new ATOM 639 N ALA A 59 7.230 17.598 -17.125 1.00 1.34 N ATOM 640 CA ALA A 59 6.633 17.007 -18.358 1.00 1.47 C ATOM 641 C ALA A 59 6.275 15.522 -18.139 1.00 0.76 C ATOM 642 O ALA A 59 6.726 14.621 -18.820 1.00 1.64 O ATOM 643 CB ALA A 59 7.693 17.259 -19.418 1.00 2.69 C ATOM 0 H ALA A 59 8.212 17.364 -16.981 1.00 1.34 H new ATOM 0 HA ALA A 59 5.681 17.447 -18.656 1.00 1.47 H new ATOM 0 HB1 ALA A 59 7.354 16.860 -20.374 1.00 2.69 H new ATOM 0 HB2 ALA A 59 7.865 18.331 -19.513 1.00 2.69 H new ATOM 0 HB3 ALA A 59 8.621 16.766 -19.129 1.00 2.69 H new ATOM 649 N TYR A 60 5.445 15.320 -17.155 1.00 1.00 N ATOM 650 CA TYR A 60 4.998 13.938 -16.803 1.00 1.14 C ATOM 651 C TYR A 60 3.527 13.680 -17.202 1.00 0.77 C ATOM 652 O TYR A 60 2.838 14.541 -17.709 1.00 1.54 O ATOM 653 CB TYR A 60 5.210 13.791 -15.293 1.00 2.69 C ATOM 654 CG TYR A 60 5.275 12.310 -14.910 1.00 2.34 C ATOM 655 CD1 TYR A 60 6.361 11.545 -15.293 1.00 1.31 C ATOM 656 CD2 TYR A 60 4.263 11.730 -14.182 1.00 3.38 C ATOM 657 CE1 TYR A 60 6.431 10.207 -14.943 1.00 1.07 C ATOM 658 CE2 TYR A 60 4.342 10.393 -13.837 1.00 3.41 C ATOM 659 CZ TYR A 60 5.419 9.634 -14.214 1.00 2.27 C ATOM 660 OH TYR A 60 5.485 8.305 -13.856 1.00 2.50 O ATOM 0 H TYR A 60 5.052 16.059 -16.572 1.00 1.00 H new ATOM 0 HA TYR A 60 5.575 13.196 -17.355 1.00 1.14 H new ATOM 0 HB2 TYR A 60 6.132 14.291 -14.997 1.00 2.69 H new ATOM 0 HB3 TYR A 60 4.397 14.278 -14.755 1.00 2.69 H new ATOM 0 HD1 TYR A 60 7.158 11.993 -15.868 1.00 1.31 H new ATOM 0 HD2 TYR A 60 3.408 12.317 -13.880 1.00 3.38 H new ATOM 0 HE1 TYR A 60 7.282 9.614 -15.244 1.00 1.07 H new ATOM 0 HE2 TYR A 60 3.546 9.942 -13.264 1.00 3.41 H new ATOM 0 HH TYR A 60 5.494 8.229 -12.879 1.00 2.50 H new ATOM 670 N ALA A 61 3.088 12.482 -16.962 1.00 0.60 N ATOM 671 CA ALA A 61 1.685 12.120 -17.296 1.00 0.66 C ATOM 672 C ALA A 61 0.917 12.002 -15.971 1.00 0.96 C ATOM 673 O ALA A 61 1.101 12.748 -15.025 1.00 1.62 O ATOM 674 CB ALA A 61 1.769 10.798 -18.107 1.00 0.63 C ATOM 0 H ALA A 61 3.642 11.733 -16.547 1.00 0.60 H new ATOM 0 HA ALA A 61 1.152 12.853 -17.901 1.00 0.66 H new ATOM 0 HB1 ALA A 61 0.765 10.477 -18.384 1.00 0.63 H new ATOM 0 HB2 ALA A 61 2.360 10.961 -19.008 1.00 0.63 H new ATOM 0 HB3 ALA A 61 2.241 10.027 -17.498 1.00 0.63 H new ATOM 680 N GLU A 62 0.065 11.038 -16.007 1.00 0.75 N ATOM 681 CA GLU A 62 -0.810 10.674 -14.867 1.00 0.98 C ATOM 682 C GLU A 62 0.056 9.777 -13.955 1.00 0.63 C ATOM 683 O GLU A 62 1.270 9.757 -14.043 1.00 0.91 O ATOM 684 CB GLU A 62 -2.032 9.933 -15.467 1.00 1.28 C ATOM 685 CG GLU A 62 -1.545 8.656 -16.249 1.00 2.10 C ATOM 686 CD GLU A 62 -2.726 7.898 -16.875 1.00 2.81 C ATOM 687 OE1 GLU A 62 -3.454 8.516 -17.633 1.00 2.97 O ATOM 688 OE2 GLU A 62 -2.806 6.727 -16.542 1.00 3.74 O ATOM 0 H GLU A 62 -0.072 10.449 -16.829 1.00 0.75 H new ATOM 0 HA GLU A 62 -1.185 11.514 -14.282 1.00 0.98 H new ATOM 0 HB2 GLU A 62 -2.721 9.645 -14.673 1.00 1.28 H new ATOM 0 HB3 GLU A 62 -2.578 10.596 -16.138 1.00 1.28 H new ATOM 0 HG2 GLU A 62 -0.845 8.951 -17.030 1.00 2.10 H new ATOM 0 HG3 GLU A 62 -1.005 7.996 -15.570 1.00 2.10 H new ATOM 695 N TYR A 63 -0.594 9.057 -13.096 1.00 0.98 N ATOM 696 CA TYR A 63 0.129 8.149 -12.161 1.00 0.68 C ATOM 697 C TYR A 63 -0.002 6.684 -12.630 1.00 0.62 C ATOM 698 O TYR A 63 -1.070 6.098 -12.595 1.00 0.64 O ATOM 699 CB TYR A 63 -0.480 8.341 -10.747 1.00 0.52 C ATOM 700 CG TYR A 63 0.004 7.189 -9.857 1.00 0.43 C ATOM 701 CD1 TYR A 63 1.279 7.155 -9.331 1.00 0.92 C ATOM 702 CD2 TYR A 63 -0.857 6.146 -9.602 1.00 1.15 C ATOM 703 CE1 TYR A 63 1.682 6.080 -8.558 1.00 1.04 C ATOM 704 CE2 TYR A 63 -0.461 5.081 -8.837 1.00 1.04 C ATOM 705 CZ TYR A 63 0.814 5.042 -8.310 1.00 0.42 C ATOM 706 OH TYR A 63 1.227 3.975 -7.544 1.00 0.50 O ATOM 0 H TYR A 63 -1.609 9.055 -12.996 1.00 0.98 H new ATOM 0 HA TYR A 63 1.192 8.388 -12.139 1.00 0.68 H new ATOM 0 HB2 TYR A 63 -0.174 9.300 -10.328 1.00 0.52 H new ATOM 0 HB3 TYR A 63 -1.569 8.349 -10.800 1.00 0.52 H new ATOM 0 HD1 TYR A 63 1.963 7.968 -9.523 1.00 0.92 H new ATOM 0 HD2 TYR A 63 -1.857 6.168 -10.010 1.00 1.15 H new ATOM 0 HE1 TYR A 63 2.681 6.056 -8.148 1.00 1.04 H new ATOM 0 HE2 TYR A 63 -1.148 4.270 -8.646 1.00 1.04 H new ATOM 0 HH TYR A 63 0.447 3.451 -7.265 1.00 0.50 H new ATOM 716 N ARG A 64 1.082 6.112 -13.072 1.00 0.74 N ATOM 717 CA ARG A 64 0.990 4.695 -13.523 1.00 0.70 C ATOM 718 C ARG A 64 1.576 3.900 -12.380 1.00 0.54 C ATOM 719 O ARG A 64 2.773 3.789 -12.244 1.00 0.41 O ATOM 720 CB ARG A 64 1.817 4.423 -14.786 1.00 0.77 C ATOM 721 CG ARG A 64 1.252 5.213 -15.974 1.00 0.75 C ATOM 722 CD ARG A 64 1.908 4.645 -17.221 1.00 1.49 C ATOM 723 NE ARG A 64 1.579 3.177 -17.201 1.00 2.40 N ATOM 724 CZ ARG A 64 2.300 2.328 -17.828 1.00 3.22 C ATOM 725 NH1 ARG A 64 2.236 2.309 -19.103 1.00 4.13 N ATOM 726 NH2 ARG A 64 3.033 1.560 -17.125 1.00 3.47 N ATOM 0 H ARG A 64 2.002 6.547 -13.140 1.00 0.74 H new ATOM 0 HA ARG A 64 -0.040 4.437 -13.769 1.00 0.70 H new ATOM 0 HB2 ARG A 64 2.856 4.704 -14.616 1.00 0.77 H new ATOM 0 HB3 ARG A 64 1.808 3.357 -15.012 1.00 0.77 H new ATOM 0 HG2 ARG A 64 0.168 5.113 -16.026 1.00 0.75 H new ATOM 0 HG3 ARG A 64 1.469 6.276 -15.871 1.00 0.75 H new ATOM 0 HD2 ARG A 64 1.523 5.123 -18.122 1.00 1.49 H new ATOM 0 HD3 ARG A 64 2.986 4.808 -17.209 1.00 1.49 H new ATOM 0 HE ARG A 64 0.766 2.853 -16.677 1.00 2.40 H new ATOM 0 HH11 ARG A 64 1.622 2.960 -19.593 1.00 4.13 H new ATOM 0 HH12 ARG A 64 2.799 1.643 -19.632 1.00 4.13 H new ATOM 0 HH21 ARG A 64 3.027 1.639 -16.108 1.00 3.47 H new ATOM 0 HH22 ARG A 64 3.626 0.866 -17.579 1.00 3.47 H new ATOM 740 N ILE A 65 0.733 3.357 -11.558 1.00 0.55 N ATOM 741 CA ILE A 65 1.201 2.544 -10.387 1.00 0.42 C ATOM 742 C ILE A 65 2.241 1.480 -10.704 1.00 0.36 C ATOM 743 O ILE A 65 2.905 1.003 -9.818 1.00 0.50 O ATOM 744 CB ILE A 65 -0.039 1.904 -9.709 1.00 0.38 C ATOM 745 CG1 ILE A 65 0.307 0.863 -8.648 1.00 0.44 C ATOM 746 CG2 ILE A 65 -1.087 1.485 -10.699 1.00 0.31 C ATOM 747 CD1 ILE A 65 -0.867 0.736 -7.644 1.00 0.46 C ATOM 0 H ILE A 65 -0.280 3.438 -11.641 1.00 0.55 H new ATOM 0 HA ILE A 65 1.718 3.233 -9.720 1.00 0.42 H new ATOM 0 HB ILE A 65 -0.513 2.696 -9.130 1.00 0.38 H new ATOM 0 HG12 ILE A 65 0.502 -0.100 -9.119 1.00 0.44 H new ATOM 0 HG13 ILE A 65 1.218 1.152 -8.124 1.00 0.44 H new ATOM 0 HG21 ILE A 65 -1.932 1.044 -10.170 1.00 0.31 H new ATOM 0 HG22 ILE A 65 -1.425 2.356 -11.261 1.00 0.31 H new ATOM 0 HG23 ILE A 65 -0.666 0.751 -11.386 1.00 0.31 H new ATOM 0 HD11 ILE A 65 -0.619 -0.008 -6.887 1.00 0.46 H new ATOM 0 HD12 ILE A 65 -1.041 1.699 -7.164 1.00 0.46 H new ATOM 0 HD13 ILE A 65 -1.768 0.427 -8.175 1.00 0.46 H new ATOM 759 N ASP A 66 2.368 1.141 -11.946 1.00 0.38 N ATOM 760 CA ASP A 66 3.352 0.100 -12.417 1.00 0.30 C ATOM 761 C ASP A 66 4.753 0.693 -12.644 1.00 0.27 C ATOM 762 O ASP A 66 5.718 -0.001 -12.899 1.00 0.51 O ATOM 763 CB ASP A 66 2.778 -0.490 -13.719 1.00 0.45 C ATOM 764 CG ASP A 66 1.287 -0.561 -13.503 1.00 1.41 C ATOM 765 OD1 ASP A 66 0.835 -1.508 -12.895 1.00 2.37 O ATOM 766 OD2 ASP A 66 0.712 0.404 -13.970 1.00 1.46 O ATOM 0 H ASP A 66 1.813 1.552 -12.697 1.00 0.38 H new ATOM 0 HA ASP A 66 3.479 -0.672 -11.658 1.00 0.30 H new ATOM 0 HB2 ASP A 66 3.021 0.138 -14.576 1.00 0.45 H new ATOM 0 HB3 ASP A 66 3.193 -1.478 -13.920 1.00 0.45 H new ATOM 771 N ARG A 67 4.856 1.985 -12.549 1.00 0.06 N ATOM 772 CA ARG A 67 6.196 2.631 -12.759 1.00 0.07 C ATOM 773 C ARG A 67 6.824 3.179 -11.480 1.00 0.08 C ATOM 774 O ARG A 67 6.105 3.616 -10.608 1.00 0.22 O ATOM 775 CB ARG A 67 6.077 3.812 -13.695 1.00 0.11 C ATOM 776 CG ARG A 67 5.676 3.446 -15.131 1.00 1.12 C ATOM 777 CD ARG A 67 6.650 4.133 -16.074 1.00 0.90 C ATOM 778 NE ARG A 67 6.419 5.593 -15.795 1.00 0.95 N ATOM 779 CZ ARG A 67 6.296 6.499 -16.695 1.00 1.33 C ATOM 780 NH1 ARG A 67 6.924 6.394 -17.794 1.00 2.04 N ATOM 781 NH2 ARG A 67 5.539 7.489 -16.444 1.00 1.21 N ATOM 0 H ARG A 67 4.088 2.622 -12.338 1.00 0.06 H new ATOM 0 HA ARG A 67 6.823 1.835 -13.161 1.00 0.07 H new ATOM 0 HB2 ARG A 67 5.341 4.507 -13.291 1.00 0.11 H new ATOM 0 HB3 ARG A 67 7.032 4.338 -13.720 1.00 0.11 H new ATOM 0 HG2 ARG A 67 5.705 2.366 -15.272 1.00 1.12 H new ATOM 0 HG3 ARG A 67 4.655 3.767 -15.336 1.00 1.12 H new ATOM 0 HD2 ARG A 67 7.681 3.842 -15.872 1.00 0.90 H new ATOM 0 HD3 ARG A 67 6.447 3.884 -17.116 1.00 0.90 H new ATOM 0 HE ARG A 67 6.356 5.884 -14.819 1.00 0.95 H new ATOM 0 HH11 ARG A 67 7.527 5.589 -17.962 1.00 2.04 H new ATOM 0 HH12 ARG A 67 6.825 7.115 -18.509 1.00 2.04 H new ATOM 0 HH21 ARG A 67 5.052 7.545 -15.549 1.00 1.21 H new ATOM 0 HH22 ARG A 67 5.418 8.227 -17.137 1.00 1.21 H new ATOM 795 N VAL A 68 8.130 3.112 -11.448 1.00 0.09 N ATOM 796 CA VAL A 68 8.945 3.625 -10.292 1.00 0.16 C ATOM 797 C VAL A 68 9.979 4.505 -10.994 1.00 0.12 C ATOM 798 O VAL A 68 10.566 4.071 -11.972 1.00 0.15 O ATOM 799 CB VAL A 68 9.677 2.485 -9.495 1.00 0.17 C ATOM 800 CG1 VAL A 68 10.594 3.156 -8.381 1.00 0.20 C ATOM 801 CG2 VAL A 68 8.616 1.677 -8.709 1.00 0.19 C ATOM 0 H VAL A 68 8.689 2.709 -12.200 1.00 0.09 H new ATOM 0 HA VAL A 68 8.327 4.130 -9.550 1.00 0.16 H new ATOM 0 HB VAL A 68 10.246 1.866 -10.189 1.00 0.17 H new ATOM 0 HG11 VAL A 68 11.110 2.378 -7.818 1.00 0.20 H new ATOM 0 HG12 VAL A 68 11.328 3.807 -8.857 1.00 0.20 H new ATOM 0 HG13 VAL A 68 9.973 3.743 -7.704 1.00 0.20 H new ATOM 0 HG21 VAL A 68 9.106 0.881 -8.149 1.00 0.19 H new ATOM 0 HG22 VAL A 68 8.094 2.338 -8.017 1.00 0.19 H new ATOM 0 HG23 VAL A 68 7.900 1.242 -9.406 1.00 0.19 H new ATOM 811 N ARG A 69 10.173 5.696 -10.518 1.00 0.20 N ATOM 812 CA ARG A 69 11.170 6.602 -11.151 1.00 0.19 C ATOM 813 C ARG A 69 12.344 6.620 -10.188 1.00 0.21 C ATOM 814 O ARG A 69 12.175 6.806 -8.996 1.00 0.25 O ATOM 815 CB ARG A 69 10.600 8.019 -11.309 1.00 0.16 C ATOM 816 CG ARG A 69 9.491 8.051 -12.373 1.00 0.40 C ATOM 817 CD ARG A 69 9.326 9.518 -12.794 1.00 0.52 C ATOM 818 NE ARG A 69 10.481 9.827 -13.728 1.00 1.16 N ATOM 819 CZ ARG A 69 10.295 10.092 -14.967 1.00 2.02 C ATOM 820 NH1 ARG A 69 9.707 9.168 -15.587 1.00 2.93 N ATOM 821 NH2 ARG A 69 10.684 11.193 -15.474 1.00 2.35 N ATOM 0 H ARG A 69 9.683 6.087 -9.713 1.00 0.20 H new ATOM 0 HA ARG A 69 11.449 6.262 -12.148 1.00 0.19 H new ATOM 0 HB2 ARG A 69 10.203 8.364 -10.354 1.00 0.16 H new ATOM 0 HB3 ARG A 69 11.398 8.707 -11.589 1.00 0.16 H new ATOM 0 HG2 ARG A 69 9.758 7.430 -13.229 1.00 0.40 H new ATOM 0 HG3 ARG A 69 8.558 7.656 -11.971 1.00 0.40 H new ATOM 0 HD2 ARG A 69 8.370 9.674 -13.294 1.00 0.52 H new ATOM 0 HD3 ARG A 69 9.342 10.176 -11.925 1.00 0.52 H new ATOM 0 HE ARG A 69 11.432 9.824 -13.359 1.00 1.16 H new ATOM 0 HH11 ARG A 69 9.432 8.318 -15.095 1.00 2.93 H new ATOM 0 HH12 ARG A 69 9.505 9.269 -16.582 1.00 2.93 H new ATOM 0 HH21 ARG A 69 11.154 11.885 -14.891 1.00 2.35 H new ATOM 0 HH22 ARG A 69 10.525 11.383 -16.464 1.00 2.35 H new ATOM 835 N LEU A 70 13.511 6.434 -10.718 1.00 0.24 N ATOM 836 CA LEU A 70 14.725 6.426 -9.863 1.00 0.18 C ATOM 837 C LEU A 70 15.457 7.740 -10.086 1.00 0.19 C ATOM 838 O LEU A 70 15.549 8.194 -11.209 1.00 0.35 O ATOM 839 CB LEU A 70 15.575 5.224 -10.293 1.00 0.14 C ATOM 840 CG LEU A 70 15.641 4.222 -9.124 1.00 0.09 C ATOM 841 CD1 LEU A 70 16.186 2.865 -9.580 1.00 0.06 C ATOM 842 CD2 LEU A 70 16.650 4.765 -8.150 1.00 0.10 C ATOM 0 H LEU A 70 13.681 6.286 -11.713 1.00 0.24 H new ATOM 0 HA LEU A 70 14.494 6.335 -8.802 1.00 0.18 H new ATOM 0 HB2 LEU A 70 15.141 4.750 -11.173 1.00 0.14 H new ATOM 0 HB3 LEU A 70 16.578 5.550 -10.569 1.00 0.14 H new ATOM 0 HG LEU A 70 14.641 4.095 -8.709 1.00 0.09 H new ATOM 0 HD11 LEU A 70 16.219 2.182 -8.731 1.00 0.06 H new ATOM 0 HD12 LEU A 70 15.536 2.453 -10.352 1.00 0.06 H new ATOM 0 HD13 LEU A 70 17.191 2.993 -9.982 1.00 0.06 H new ATOM 0 HD21 LEU A 70 16.735 4.089 -7.299 1.00 0.10 H new ATOM 0 HD22 LEU A 70 17.619 4.853 -8.641 1.00 0.10 H new ATOM 0 HD23 LEU A 70 16.329 5.747 -7.803 1.00 0.10 H new ATOM 854 N ALA A 71 15.957 8.300 -9.020 1.00 0.09 N ATOM 855 CA ALA A 71 16.699 9.589 -9.115 1.00 0.09 C ATOM 856 C ALA A 71 18.173 9.282 -8.730 1.00 0.09 C ATOM 857 O ALA A 71 18.563 9.266 -7.575 1.00 0.09 O ATOM 858 CB ALA A 71 15.998 10.572 -8.150 1.00 0.12 C ATOM 0 H ALA A 71 15.883 7.916 -8.078 1.00 0.09 H new ATOM 0 HA ALA A 71 16.702 10.041 -10.107 1.00 0.09 H new ATOM 0 HB1 ALA A 71 16.505 11.536 -8.181 1.00 0.12 H new ATOM 0 HB2 ALA A 71 14.958 10.699 -8.451 1.00 0.12 H new ATOM 0 HB3 ALA A 71 16.036 10.175 -7.136 1.00 0.12 H new ATOM 864 N VAL A 72 18.968 9.039 -9.723 1.00 0.09 N ATOM 865 CA VAL A 72 20.423 8.721 -9.490 1.00 0.12 C ATOM 866 C VAL A 72 21.265 9.907 -9.936 1.00 0.15 C ATOM 867 O VAL A 72 20.748 10.795 -10.579 1.00 0.18 O ATOM 868 CB VAL A 72 20.828 7.506 -10.313 1.00 0.14 C ATOM 869 CG1 VAL A 72 20.152 6.307 -9.761 1.00 0.20 C ATOM 870 CG2 VAL A 72 20.334 7.666 -11.729 1.00 0.16 C ATOM 0 H VAL A 72 18.683 9.044 -10.702 1.00 0.09 H new ATOM 0 HA VAL A 72 20.579 8.515 -8.431 1.00 0.12 H new ATOM 0 HB VAL A 72 21.913 7.407 -10.286 1.00 0.14 H new ATOM 0 HG11 VAL A 72 20.435 5.430 -10.343 1.00 0.20 H new ATOM 0 HG12 VAL A 72 20.452 6.166 -8.723 1.00 0.20 H new ATOM 0 HG13 VAL A 72 19.072 6.443 -9.811 1.00 0.20 H new ATOM 0 HG21 VAL A 72 20.625 6.795 -12.316 1.00 0.16 H new ATOM 0 HG22 VAL A 72 19.248 7.756 -11.727 1.00 0.16 H new ATOM 0 HG23 VAL A 72 20.772 8.563 -12.168 1.00 0.16 H new ATOM 880 N ASP A 73 22.524 9.921 -9.613 1.00 0.18 N ATOM 881 CA ASP A 73 23.369 11.070 -10.043 1.00 0.24 C ATOM 882 C ASP A 73 24.177 10.653 -11.288 1.00 0.27 C ATOM 883 O ASP A 73 23.739 9.899 -12.138 1.00 0.24 O ATOM 884 CB ASP A 73 24.276 11.416 -8.850 1.00 0.30 C ATOM 885 CG ASP A 73 25.327 10.324 -8.688 1.00 0.30 C ATOM 886 OD1 ASP A 73 24.944 9.161 -8.684 1.00 0.94 O ATOM 887 OD2 ASP A 73 26.464 10.751 -8.599 1.00 1.40 O ATOM 0 H ASP A 73 23.003 9.197 -9.077 1.00 0.18 H new ATOM 0 HA ASP A 73 22.783 11.946 -10.318 1.00 0.24 H new ATOM 0 HB2 ASP A 73 24.758 12.380 -9.011 1.00 0.30 H new ATOM 0 HB3 ASP A 73 23.683 11.505 -7.940 1.00 0.30 H new ATOM 892 N LYS A 74 25.358 11.191 -11.352 1.00 0.33 N ATOM 893 CA LYS A 74 26.279 10.915 -12.458 1.00 0.36 C ATOM 894 C LYS A 74 27.006 9.593 -12.194 1.00 0.37 C ATOM 895 O LYS A 74 27.593 9.017 -13.083 1.00 0.33 O ATOM 896 CB LYS A 74 27.275 12.082 -12.552 1.00 0.36 C ATOM 897 CG LYS A 74 26.560 13.458 -12.624 1.00 0.64 C ATOM 898 CD LYS A 74 25.432 13.448 -13.696 1.00 1.90 C ATOM 899 CE LYS A 74 24.995 14.882 -13.975 1.00 2.42 C ATOM 900 NZ LYS A 74 23.947 14.874 -15.038 1.00 3.80 N ATOM 0 H LYS A 74 25.727 11.834 -10.651 1.00 0.33 H new ATOM 0 HA LYS A 74 25.741 10.823 -13.401 1.00 0.36 H new ATOM 0 HB2 LYS A 74 27.937 12.063 -11.686 1.00 0.36 H new ATOM 0 HB3 LYS A 74 27.901 11.953 -13.435 1.00 0.36 H new ATOM 0 HG2 LYS A 74 26.138 13.703 -11.650 1.00 0.64 H new ATOM 0 HG3 LYS A 74 27.285 14.236 -12.862 1.00 0.64 H new ATOM 0 HD2 LYS A 74 25.789 12.979 -14.613 1.00 1.90 H new ATOM 0 HD3 LYS A 74 24.585 12.858 -13.345 1.00 1.90 H new ATOM 0 HE2 LYS A 74 24.605 15.340 -13.066 1.00 2.42 H new ATOM 0 HE3 LYS A 74 25.849 15.480 -14.293 1.00 2.42 H new ATOM 0 HZ1 LYS A 74 24.032 15.734 -15.616 1.00 3.80 H new ATOM 0 HZ2 LYS A 74 24.072 14.037 -15.642 1.00 3.80 H new ATOM 0 HZ3 LYS A 74 23.006 14.845 -14.597 1.00 3.80 H new ATOM 914 N LEU A 75 26.938 9.153 -10.974 1.00 0.43 N ATOM 915 CA LEU A 75 27.599 7.885 -10.540 1.00 0.44 C ATOM 916 C LEU A 75 26.554 6.826 -10.200 1.00 0.41 C ATOM 917 O LEU A 75 26.665 6.104 -9.225 1.00 0.40 O ATOM 918 CB LEU A 75 28.443 8.256 -9.338 1.00 0.48 C ATOM 919 CG LEU A 75 29.412 9.394 -9.635 1.00 0.41 C ATOM 920 CD1 LEU A 75 29.900 9.877 -8.273 1.00 0.59 C ATOM 921 CD2 LEU A 75 30.562 8.844 -10.470 1.00 0.25 C ATOM 0 H LEU A 75 26.434 9.634 -10.229 1.00 0.43 H new ATOM 0 HA LEU A 75 28.217 7.452 -11.327 1.00 0.44 H new ATOM 0 HB2 LEU A 75 27.790 8.545 -8.515 1.00 0.48 H new ATOM 0 HB3 LEU A 75 29.004 7.382 -9.008 1.00 0.48 H new ATOM 0 HG LEU A 75 28.958 10.212 -10.194 1.00 0.41 H new ATOM 0 HD11 LEU A 75 30.604 10.698 -8.409 1.00 0.59 H new ATOM 0 HD12 LEU A 75 29.050 10.221 -7.683 1.00 0.59 H new ATOM 0 HD13 LEU A 75 30.395 9.057 -7.752 1.00 0.59 H new ATOM 0 HD21 LEU A 75 31.266 9.646 -10.692 1.00 0.25 H new ATOM 0 HD22 LEU A 75 31.072 8.057 -9.914 1.00 0.25 H new ATOM 0 HD23 LEU A 75 30.172 8.435 -11.402 1.00 0.25 H new ATOM 933 N ASP A 76 25.582 6.842 -11.060 1.00 0.43 N ATOM 934 CA ASP A 76 24.413 5.923 -11.007 1.00 0.42 C ATOM 935 C ASP A 76 24.070 5.334 -9.611 1.00 0.30 C ATOM 936 O ASP A 76 23.732 4.173 -9.451 1.00 0.26 O ATOM 937 CB ASP A 76 24.698 4.833 -12.119 1.00 0.53 C ATOM 938 CG ASP A 76 26.169 4.781 -12.524 1.00 0.92 C ATOM 939 OD1 ASP A 76 26.901 4.255 -11.706 1.00 0.52 O ATOM 940 OD2 ASP A 76 26.459 5.272 -13.602 1.00 1.82 O ATOM 0 H ASP A 76 25.549 7.494 -11.844 1.00 0.43 H new ATOM 0 HA ASP A 76 23.496 6.477 -11.205 1.00 0.42 H new ATOM 0 HB2 ASP A 76 24.391 3.854 -11.751 1.00 0.53 H new ATOM 0 HB3 ASP A 76 24.090 5.048 -12.998 1.00 0.53 H new ATOM 945 N ASN A 77 24.170 6.179 -8.617 1.00 0.26 N ATOM 946 CA ASN A 77 23.849 5.745 -7.233 1.00 0.15 C ATOM 947 C ASN A 77 22.638 6.623 -6.913 1.00 0.22 C ATOM 948 O ASN A 77 22.526 7.749 -7.376 1.00 0.39 O ATOM 949 CB ASN A 77 25.079 5.990 -6.267 1.00 0.13 C ATOM 950 CG ASN A 77 25.687 7.389 -6.162 1.00 0.81 C ATOM 951 OD1 ASN A 77 26.627 7.727 -6.967 1.00 1.55 O flip ATOM 952 ND2 ASN A 77 25.325 8.196 -5.338 1.00 0.74 N flip ATOM 0 H ASN A 77 24.461 7.152 -8.709 1.00 0.26 H new ATOM 0 HA ASN A 77 23.639 4.682 -7.116 1.00 0.15 H new ATOM 0 HB2 ASN A 77 24.772 5.691 -5.265 1.00 0.13 H new ATOM 0 HB3 ASN A 77 25.875 5.310 -6.572 1.00 0.13 H new ATOM 0 HD21 ASN A 77 24.580 7.958 -4.684 1.00 0.74 H new ATOM 0 HD22 ASN A 77 25.765 9.115 -5.297 1.00 0.74 H new ATOM 959 N ILE A 78 21.771 6.045 -6.132 1.00 0.08 N ATOM 960 CA ILE A 78 20.528 6.761 -5.747 1.00 0.13 C ATOM 961 C ILE A 78 20.813 8.033 -4.988 1.00 0.15 C ATOM 962 O ILE A 78 21.239 8.038 -3.851 1.00 0.14 O ATOM 963 CB ILE A 78 19.654 5.783 -4.923 1.00 0.11 C ATOM 964 CG1 ILE A 78 19.391 4.420 -5.669 1.00 0.07 C ATOM 965 CG2 ILE A 78 18.248 6.445 -4.645 1.00 0.16 C ATOM 966 CD1 ILE A 78 19.527 4.574 -7.201 1.00 0.10 C ATOM 0 H ILE A 78 21.871 5.107 -5.744 1.00 0.08 H new ATOM 0 HA ILE A 78 19.994 7.074 -6.644 1.00 0.13 H new ATOM 0 HB ILE A 78 20.201 5.577 -4.003 1.00 0.11 H new ATOM 0 HG12 ILE A 78 20.096 3.669 -5.314 1.00 0.07 H new ATOM 0 HG13 ILE A 78 18.392 4.059 -5.426 1.00 0.07 H new ATOM 0 HG21 ILE A 78 17.631 5.759 -4.065 1.00 0.16 H new ATOM 0 HG22 ILE A 78 18.386 7.370 -4.085 1.00 0.16 H new ATOM 0 HG23 ILE A 78 17.755 6.664 -5.592 1.00 0.16 H new ATOM 0 HD11 ILE A 78 19.339 3.614 -7.681 1.00 0.10 H new ATOM 0 HD12 ILE A 78 18.804 5.307 -7.559 1.00 0.10 H new ATOM 0 HD13 ILE A 78 20.535 4.910 -7.445 1.00 0.10 H new ATOM 978 N ALA A 79 20.535 9.065 -5.726 1.00 0.18 N ATOM 979 CA ALA A 79 20.714 10.458 -5.252 1.00 0.20 C ATOM 980 C ALA A 79 19.483 10.793 -4.403 1.00 0.20 C ATOM 981 O ALA A 79 19.569 11.410 -3.359 1.00 0.25 O ATOM 982 CB ALA A 79 20.833 11.331 -6.525 1.00 0.20 C ATOM 0 H ALA A 79 20.176 8.995 -6.678 1.00 0.18 H new ATOM 0 HA ALA A 79 21.599 10.622 -4.638 1.00 0.20 H new ATOM 0 HB1 ALA A 79 20.967 12.374 -6.239 1.00 0.20 H new ATOM 0 HB2 ALA A 79 21.690 11.002 -7.113 1.00 0.20 H new ATOM 0 HB3 ALA A 79 19.925 11.232 -7.120 1.00 0.20 H new ATOM 988 N GLN A 80 18.356 10.360 -4.890 1.00 0.16 N ATOM 989 CA GLN A 80 17.104 10.645 -4.128 1.00 0.18 C ATOM 990 C GLN A 80 16.159 9.493 -3.885 1.00 0.17 C ATOM 991 O GLN A 80 16.174 8.493 -4.563 1.00 0.22 O ATOM 992 CB GLN A 80 16.317 11.751 -4.831 1.00 0.27 C ATOM 993 CG GLN A 80 16.122 12.941 -3.820 1.00 0.32 C ATOM 994 CD GLN A 80 14.796 13.619 -4.116 1.00 1.32 C ATOM 995 OE1 GLN A 80 13.751 13.153 -3.711 1.00 2.49 O ATOM 996 NE2 GLN A 80 14.739 14.702 -4.812 1.00 1.35 N ATOM 0 H GLN A 80 18.244 9.835 -5.757 1.00 0.16 H new ATOM 0 HA GLN A 80 17.473 10.926 -3.141 1.00 0.18 H new ATOM 0 HB2 GLN A 80 16.851 12.091 -5.718 1.00 0.27 H new ATOM 0 HB3 GLN A 80 15.350 11.375 -5.165 1.00 0.27 H new ATOM 0 HG2 GLN A 80 16.137 12.572 -2.795 1.00 0.32 H new ATOM 0 HG3 GLN A 80 16.941 13.655 -3.914 1.00 0.32 H new ATOM 0 HE21 GLN A 80 15.596 15.124 -5.170 1.00 1.35 H new ATOM 0 HE22 GLN A 80 13.837 15.137 -5.005 1.00 1.35 H new ATOM 1005 N VAL A 81 15.355 9.729 -2.890 1.00 0.22 N ATOM 1006 CA VAL A 81 14.320 8.766 -2.436 1.00 0.35 C ATOM 1007 C VAL A 81 13.427 8.459 -3.650 1.00 0.44 C ATOM 1008 O VAL A 81 12.546 9.238 -3.981 1.00 0.58 O ATOM 1009 CB VAL A 81 13.510 9.425 -1.316 1.00 0.42 C ATOM 1010 CG1 VAL A 81 12.570 8.367 -0.724 1.00 0.62 C ATOM 1011 CG2 VAL A 81 14.455 9.999 -0.237 1.00 0.39 C ATOM 0 H VAL A 81 15.376 10.593 -2.348 1.00 0.22 H new ATOM 0 HA VAL A 81 14.754 7.842 -2.054 1.00 0.35 H new ATOM 0 HB VAL A 81 12.924 10.256 -1.708 1.00 0.42 H new ATOM 0 HG11 VAL A 81 11.980 8.812 0.078 1.00 0.62 H new ATOM 0 HG12 VAL A 81 11.903 7.997 -1.502 1.00 0.62 H new ATOM 0 HG13 VAL A 81 13.158 7.540 -0.326 1.00 0.62 H new ATOM 0 HG21 VAL A 81 13.865 10.464 0.553 1.00 0.39 H new ATOM 0 HG22 VAL A 81 15.056 9.194 0.185 1.00 0.39 H new ATOM 0 HG23 VAL A 81 15.111 10.744 -0.687 1.00 0.39 H new ATOM 1021 N PRO A 82 13.662 7.356 -4.319 1.00 0.37 N ATOM 1022 CA PRO A 82 12.972 7.093 -5.596 1.00 0.37 C ATOM 1023 C PRO A 82 11.568 6.677 -5.104 1.00 0.42 C ATOM 1024 O PRO A 82 11.393 6.243 -3.968 1.00 0.45 O ATOM 1025 CB PRO A 82 13.888 6.037 -6.211 1.00 0.33 C ATOM 1026 CG PRO A 82 14.181 5.182 -5.000 1.00 0.33 C ATOM 1027 CD PRO A 82 14.571 6.227 -3.955 1.00 0.32 C ATOM 0 HA PRO A 82 12.817 7.856 -6.358 1.00 0.37 H new ATOM 0 HB2 PRO A 82 13.397 5.475 -7.005 1.00 0.33 H new ATOM 0 HB3 PRO A 82 14.791 6.471 -6.639 1.00 0.33 H new ATOM 0 HG2 PRO A 82 13.312 4.602 -4.691 1.00 0.33 H new ATOM 0 HG3 PRO A 82 14.987 4.473 -5.187 1.00 0.33 H new ATOM 0 HD2 PRO A 82 14.402 5.874 -2.938 1.00 0.32 H new ATOM 0 HD3 PRO A 82 15.622 6.506 -4.025 1.00 0.32 H new ATOM 1035 N ARG A 83 10.620 6.818 -5.985 1.00 0.41 N ATOM 1036 CA ARG A 83 9.206 6.484 -5.639 1.00 0.43 C ATOM 1037 C ARG A 83 8.509 5.833 -6.798 1.00 0.43 C ATOM 1038 O ARG A 83 9.092 5.772 -7.860 1.00 0.60 O ATOM 1039 CB ARG A 83 8.515 7.799 -5.246 1.00 0.42 C ATOM 1040 CG ARG A 83 9.454 8.500 -4.267 1.00 0.64 C ATOM 1041 CD ARG A 83 8.836 9.661 -3.618 1.00 0.80 C ATOM 1042 NE ARG A 83 9.754 9.804 -2.450 1.00 1.63 N ATOM 1043 CZ ARG A 83 10.363 10.869 -2.163 1.00 2.26 C ATOM 1044 NH1 ARG A 83 11.178 11.333 -3.030 1.00 2.67 N ATOM 1045 NH2 ARG A 83 10.051 11.308 -1.020 1.00 2.80 N ATOM 0 H ARG A 83 10.762 7.153 -6.938 1.00 0.41 H new ATOM 0 HA ARG A 83 9.170 5.772 -4.814 1.00 0.43 H new ATOM 0 HB2 ARG A 83 8.333 8.420 -6.123 1.00 0.42 H new ATOM 0 HB3 ARG A 83 7.546 7.607 -4.785 1.00 0.42 H new ATOM 0 HG2 ARG A 83 9.772 7.790 -3.504 1.00 0.64 H new ATOM 0 HG3 ARG A 83 10.351 8.821 -4.797 1.00 0.64 H new ATOM 0 HD2 ARG A 83 8.829 10.544 -4.257 1.00 0.80 H new ATOM 0 HD3 ARG A 83 7.804 9.475 -3.320 1.00 0.80 H new ATOM 0 HE ARG A 83 9.897 8.992 -1.849 1.00 1.63 H new ATOM 0 HH11 ARG A 83 11.315 10.844 -3.914 1.00 2.67 H new ATOM 0 HH12 ARG A 83 11.692 12.193 -2.838 1.00 2.67 H new ATOM 0 HH21 ARG A 83 9.374 10.804 -0.448 1.00 2.80 H new ATOM 0 HH22 ARG A 83 10.476 12.166 -0.670 1.00 2.80 H new ATOM 1059 N VAL A 84 7.304 5.377 -6.598 1.00 0.26 N ATOM 1060 CA VAL A 84 6.582 4.724 -7.740 1.00 0.25 C ATOM 1061 C VAL A 84 6.314 5.620 -8.980 1.00 0.49 C ATOM 1062 O VAL A 84 7.223 5.974 -9.705 1.00 1.08 O ATOM 1063 CB VAL A 84 5.245 4.128 -7.161 1.00 0.04 C ATOM 1064 CG1 VAL A 84 4.449 3.358 -8.268 1.00 0.27 C ATOM 1065 CG2 VAL A 84 5.655 3.043 -6.171 1.00 0.21 C ATOM 0 H VAL A 84 6.792 5.423 -5.717 1.00 0.26 H new ATOM 0 HA VAL A 84 7.240 3.953 -8.142 1.00 0.25 H new ATOM 0 HB VAL A 84 4.646 4.937 -6.743 1.00 0.04 H new ATOM 0 HG11 VAL A 84 3.530 2.956 -7.842 1.00 0.27 H new ATOM 0 HG12 VAL A 84 4.204 4.041 -9.081 1.00 0.27 H new ATOM 0 HG13 VAL A 84 5.059 2.540 -8.652 1.00 0.27 H new ATOM 0 HG21 VAL A 84 4.763 2.592 -5.736 1.00 0.21 H new ATOM 0 HG22 VAL A 84 6.233 2.277 -6.689 1.00 0.21 H new ATOM 0 HG23 VAL A 84 6.262 3.483 -5.380 1.00 0.21 H new ATOM 1075 N GLY A 85 5.083 5.976 -9.174 1.00 0.35 N ATOM 1076 CA GLY A 85 4.706 6.823 -10.356 1.00 0.65 C ATOM 1077 C GLY A 85 4.802 8.328 -10.168 1.00 0.27 C ATOM 1078 O GLY A 85 5.470 8.878 -11.033 1.00 1.23 O ATOM 1079 OXT GLY A 85 4.216 8.807 -9.214 1.00 1.02 O ATOM 0 H GLY A 85 4.306 5.720 -8.565 1.00 0.35 H new ATOM 0 HA2 GLY A 85 5.343 6.542 -11.194 1.00 0.65 H new ATOM 0 HA3 GLY A 85 3.682 6.579 -10.638 1.00 0.65 H new TER 1083 GLY A 85