USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 Single : A 1 SER N :NH3+ 144:sc= 0.134 (180deg=0.00414) USER MOD Single : A 1 SER OG : rot 180:sc= 0.106 USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -166:sc= -0.193 (180deg=-0.479!) USER MOD Single : A 10 SER OG : rot 52:sc= 0.272 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 142:sc= -0.478 (180deg=-2.23!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.4!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.02 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.691 -0.479 -2.812 1.00 72.21 N ATOM 2 CA SER A 1 1.783 -0.039 -3.674 1.00 21.12 C ATOM 3 C SER A 1 3.124 -0.164 -2.957 1.00 45.33 C ATOM 4 O SER A 1 3.567 0.763 -2.282 1.00 4.45 O ATOM 5 CB SER A 1 1.561 1.409 -4.115 1.00 10.44 C ATOM 6 OG SER A 1 0.202 1.637 -4.451 1.00 60.43 O ATOM 0 H1 SER A 1 -0.146 0.114 -2.983 1.00 72.21 H new ATOM 0 H2 SER A 1 0.461 -1.471 -3.022 1.00 72.21 H new ATOM 0 H3 SER A 1 0.979 -0.393 -1.816 1.00 72.21 H new ATOM 0 HA SER A 1 1.800 -0.681 -4.555 1.00 21.12 H new ATOM 0 HB2 SER A 1 1.860 2.086 -3.315 1.00 10.44 H new ATOM 0 HB3 SER A 1 2.194 1.632 -4.974 1.00 10.44 H new ATOM 0 HG SER A 1 0.086 2.570 -4.728 1.00 60.43 H new ATOM 12 N ASN A 2 3.764 -1.319 -3.109 1.00 23.30 N ATOM 13 CA ASN A 2 5.054 -1.568 -2.477 1.00 5.33 C ATOM 14 C ASN A 2 6.190 -1.421 -3.484 1.00 74.30 C ATOM 15 O ASN A 2 5.965 -1.074 -4.642 1.00 40.12 O ATOM 16 CB ASN A 2 5.081 -2.967 -1.859 1.00 13.33 C ATOM 17 CG ASN A 2 3.843 -3.260 -1.035 1.00 3.04 C ATOM 18 OD1 ASN A 2 2.913 -3.918 -1.504 1.00 33.21 O ATOM 19 ND2 ASN A 2 3.824 -2.772 0.199 1.00 61.32 N ATOM 0 H ASN A 2 3.410 -2.097 -3.665 1.00 23.30 H new ATOM 0 HA ASN A 2 5.194 -0.828 -1.689 1.00 5.33 H new ATOM 0 HB2 ASN A 2 5.170 -3.710 -2.652 1.00 13.33 H new ATOM 0 HB3 ASN A 2 5.965 -3.066 -1.229 1.00 13.33 H new ATOM 0 HD21 ASN A 2 3.017 -2.937 0.800 1.00 61.32 H new ATOM 0 HD22 ASN A 2 4.617 -2.232 0.546 1.00 61.32 H new ATOM 26 N GLU A 3 7.412 -1.689 -3.033 1.00 13.45 N ATOM 27 CA GLU A 3 8.583 -1.588 -3.895 1.00 73.43 C ATOM 28 C GLU A 3 8.677 -2.790 -4.831 1.00 44.23 C ATOM 29 O GLU A 3 7.918 -3.751 -4.703 1.00 60.13 O ATOM 30 CB GLU A 3 9.857 -1.483 -3.053 1.00 22.32 C ATOM 31 CG GLU A 3 10.196 -2.759 -2.302 1.00 15.25 C ATOM 32 CD GLU A 3 10.151 -2.581 -0.797 1.00 55.13 C ATOM 33 OE1 GLU A 3 10.894 -1.722 -0.279 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 9.373 -3.301 -0.137 1.00 20.33 O ATOM 0 H GLU A 3 7.616 -1.977 -2.076 1.00 13.45 H new ATOM 0 HA GLU A 3 8.480 -0.687 -4.499 1.00 73.43 H new ATOM 0 HB2 GLU A 3 10.692 -1.221 -3.703 1.00 22.32 H new ATOM 0 HB3 GLU A 3 9.743 -0.669 -2.337 1.00 22.32 H new ATOM 0 HG2 GLU A 3 9.497 -3.543 -2.592 1.00 15.25 H new ATOM 0 HG3 GLU A 3 11.191 -3.095 -2.595 1.00 15.25 H new ATOM 41 N CYS A 4 9.613 -2.728 -5.772 1.00 52.22 N ATOM 42 CA CYS A 4 9.807 -3.809 -6.730 1.00 21.31 C ATOM 43 C CYS A 4 11.266 -4.254 -6.760 1.00 74.32 C ATOM 44 O CYS A 4 12.124 -3.646 -6.120 1.00 44.11 O ATOM 45 CB CYS A 4 9.368 -3.365 -8.126 1.00 51.15 C ATOM 46 SG CYS A 4 10.490 -2.164 -8.912 1.00 11.12 S ATOM 0 H CYS A 4 10.249 -1.940 -5.891 1.00 52.22 H new ATOM 0 HA CYS A 4 9.195 -4.654 -6.416 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.287 -4.243 -8.766 1.00 51.15 H new ATOM 0 HB3 CYS A 4 8.372 -2.926 -8.060 1.00 51.15 H new ATOM 51 N ILE A 5 11.539 -5.317 -7.509 1.00 31.52 N ATOM 52 CA ILE A 5 12.894 -5.843 -7.624 1.00 72.10 C ATOM 53 C ILE A 5 13.737 -4.988 -8.565 1.00 53.01 C ATOM 54 O ILE A 5 13.252 -4.517 -9.594 1.00 4.05 O ATOM 55 CB ILE A 5 12.893 -7.296 -8.132 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.085 -8.188 -7.187 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.318 -7.812 -8.266 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.751 -9.542 -7.773 1.00 31.22 C ATOM 0 H ILE A 5 10.840 -5.831 -8.045 1.00 31.52 H new ATOM 0 HA ILE A 5 13.328 -5.817 -6.625 1.00 72.10 H new ATOM 0 HB ILE A 5 12.425 -7.321 -9.116 1.00 12.53 H new ATOM 0 HG12 ILE A 5 12.647 -8.329 -6.264 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.159 -7.678 -6.921 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.300 -8.841 -8.626 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.865 -7.189 -8.974 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.811 -7.776 -7.294 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.178 -10.121 -7.049 1.00 31.22 H new ATOM 0 HD12 ILE A 5 11.162 -9.410 -8.680 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.673 -10.072 -8.013 1.00 31.22 H new ATOM 70 N ARG A 6 15.001 -4.793 -8.205 1.00 34.14 N ATOM 71 CA ARG A 6 15.912 -3.995 -9.018 1.00 41.52 C ATOM 72 C ARG A 6 16.249 -4.714 -10.320 1.00 31.32 C ATOM 73 O ARG A 6 16.340 -5.941 -10.360 1.00 14.52 O ATOM 74 CB ARG A 6 17.195 -3.697 -8.240 1.00 30.43 C ATOM 75 CG ARG A 6 16.988 -2.767 -7.056 1.00 22.22 C ATOM 76 CD ARG A 6 16.735 -3.544 -5.774 1.00 30.33 C ATOM 77 NE ARG A 6 17.139 -2.791 -4.588 1.00 51.53 N ATOM 78 CZ ARG A 6 16.951 -3.221 -3.346 1.00 44.12 C ATOM 79 NH1 ARG A 6 16.371 -4.393 -3.126 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 17.346 -2.478 -2.320 1.00 11.21 N ATOM 0 H ARG A 6 15.418 -5.176 -7.357 1.00 34.14 H new ATOM 0 HA ARG A 6 15.416 -3.055 -9.260 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.620 -4.635 -7.884 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.925 -3.253 -8.917 1.00 30.43 H new ATOM 0 HG2 ARG A 6 17.867 -2.134 -6.931 1.00 22.22 H new ATOM 0 HG3 ARG A 6 16.144 -2.106 -7.254 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.676 -3.791 -5.703 1.00 30.33 H new ATOM 0 HD3 ARG A 6 17.281 -4.487 -5.808 1.00 30.33 H new ATOM 0 HE ARG A 6 17.590 -1.886 -4.722 1.00 51.53 H new ATOM 0 HH11 ARG A 6 16.068 -4.967 -3.912 1.00 51.33 H new ATOM 0 HH12 ARG A 6 16.228 -4.720 -2.170 1.00 51.33 H new ATOM 0 HH21 ARG A 6 17.794 -1.577 -2.486 1.00 11.21 H new ATOM 0 HH22 ARG A 6 17.202 -2.808 -1.366 1.00 11.21 H new ATOM 94 N LYS A 7 16.435 -3.941 -11.385 1.00 12.45 N ATOM 95 CA LYS A 7 16.762 -4.503 -12.690 1.00 74.33 C ATOM 96 C LYS A 7 18.152 -5.130 -12.679 1.00 3.13 C ATOM 97 O LYS A 7 19.084 -4.586 -12.085 1.00 45.21 O ATOM 98 CB LYS A 7 16.690 -3.418 -13.768 1.00 25.23 C ATOM 99 CG LYS A 7 16.589 -3.968 -15.180 1.00 71.33 C ATOM 100 CD LYS A 7 16.391 -2.859 -16.199 1.00 42.04 C ATOM 101 CE LYS A 7 17.644 -2.010 -16.348 1.00 22.14 C ATOM 102 NZ LYS A 7 18.451 -2.416 -17.532 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.365 -2.924 -11.370 1.00 12.45 H new ATOM 0 HA LYS A 7 16.033 -5.281 -12.916 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.827 -2.781 -13.573 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.576 -2.787 -13.696 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.494 -4.526 -15.420 1.00 71.33 H new ATOM 0 HG3 LYS A 7 15.757 -4.670 -15.239 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.127 -3.292 -17.164 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.556 -2.228 -15.894 1.00 42.04 H new ATOM 0 HE2 LYS A 7 17.363 -0.961 -16.442 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.251 -2.097 -15.447 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 19.397 -1.988 -17.470 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 18.540 -3.452 -17.553 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 17.980 -2.091 -18.401 1.00 43.20 H new ATOM 116 N TRP A 8 18.285 -6.275 -13.340 1.00 12.14 N ATOM 117 CA TRP A 8 19.563 -6.975 -13.405 1.00 60.14 C ATOM 118 C TRP A 8 20.069 -7.316 -12.009 1.00 43.13 C ATOM 119 O TRP A 8 21.208 -7.003 -11.658 1.00 71.13 O ATOM 120 CB TRP A 8 20.597 -6.123 -14.144 1.00 3.43 C ATOM 121 CG TRP A 8 20.395 -6.098 -15.628 1.00 52.22 C ATOM 122 CD1 TRP A 8 19.831 -5.094 -16.362 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.756 -7.125 -16.560 1.00 13.05 C ATOM 124 NE1 TRP A 8 19.818 -5.435 -17.694 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.380 -6.675 -17.840 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.360 -8.379 -16.436 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.590 -7.437 -18.987 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.567 -9.133 -17.574 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.184 -8.661 -18.837 1.00 64.05 C ATOM 0 H TRP A 8 17.524 -6.738 -13.838 1.00 12.14 H new ATOM 0 HA TRP A 8 19.412 -7.906 -13.952 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.557 -5.103 -13.762 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.594 -6.505 -13.927 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.451 -4.168 -15.956 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.450 -4.858 -18.450 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.659 -8.752 -15.468 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.294 -7.075 -19.961 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 22.032 -10.104 -17.489 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.361 -9.275 -19.708 1.00 64.05 H new ATOM 140 N LEU A 9 19.220 -7.958 -11.216 1.00 24.33 N ATOM 141 CA LEU A 9 19.582 -8.343 -9.856 1.00 13.42 C ATOM 142 C LEU A 9 19.344 -9.831 -9.628 1.00 32.14 C ATOM 143 O LEU A 9 20.284 -10.596 -9.419 1.00 32.51 O ATOM 144 CB LEU A 9 18.781 -7.524 -8.843 1.00 64.42 C ATOM 145 CG LEU A 9 19.141 -7.737 -7.372 1.00 13.01 C ATOM 146 CD1 LEU A 9 18.910 -6.462 -6.576 1.00 21.52 C ATOM 147 CD2 LEU A 9 18.335 -8.887 -6.786 1.00 2.10 C ATOM 0 H LEU A 9 18.274 -8.224 -11.491 1.00 24.33 H new ATOM 0 HA LEU A 9 20.644 -8.141 -9.719 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.909 -6.467 -9.078 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.724 -7.754 -8.975 1.00 64.42 H new ATOM 0 HG LEU A 9 20.199 -7.993 -7.310 1.00 13.01 H new ATOM 0 HD11 LEU A 9 19.171 -6.633 -5.532 1.00 21.52 H new ATOM 0 HD12 LEU A 9 19.532 -5.663 -6.980 1.00 21.52 H new ATOM 0 HD13 LEU A 9 17.861 -6.175 -6.645 1.00 21.52 H new ATOM 0 HD21 LEU A 9 18.605 -9.024 -5.739 1.00 2.10 H new ATOM 0 HD22 LEU A 9 17.271 -8.661 -6.860 1.00 2.10 H new ATOM 0 HD23 LEU A 9 18.551 -9.801 -7.339 1.00 2.10 H new ATOM 159 N SER A 10 18.078 -10.236 -9.672 1.00 45.25 N ATOM 160 CA SER A 10 17.714 -11.633 -9.470 1.00 64.14 C ATOM 161 C SER A 10 16.199 -11.813 -9.518 1.00 64.00 C ATOM 162 O SER A 10 15.474 -11.299 -8.667 1.00 53.42 O ATOM 163 CB SER A 10 18.256 -12.133 -8.129 1.00 54.12 C ATOM 164 OG SER A 10 19.037 -13.303 -8.299 1.00 65.41 O ATOM 0 H SER A 10 17.287 -9.615 -9.846 1.00 45.25 H new ATOM 0 HA SER A 10 18.157 -12.219 -10.275 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.859 -11.354 -7.664 1.00 54.12 H new ATOM 0 HB3 SER A 10 17.427 -12.341 -7.453 1.00 54.12 H new ATOM 0 HG SER A 10 19.716 -13.146 -8.988 1.00 65.41 H new ATOM 170 N CYS A 11 15.729 -12.546 -10.521 1.00 71.34 N ATOM 171 CA CYS A 11 14.302 -12.795 -10.682 1.00 40.34 C ATOM 172 C CYS A 11 13.934 -14.193 -10.192 1.00 4.42 C ATOM 173 O CYS A 11 12.756 -14.536 -10.089 1.00 25.34 O ATOM 174 CB CYS A 11 13.899 -12.636 -12.150 1.00 32.52 C ATOM 175 SG CYS A 11 14.433 -14.010 -13.221 1.00 22.00 S ATOM 0 H CYS A 11 16.316 -12.978 -11.235 1.00 71.34 H new ATOM 0 HA CYS A 11 13.761 -12.064 -10.081 1.00 40.34 H new ATOM 0 HB2 CYS A 11 12.815 -12.543 -12.210 1.00 32.52 H new ATOM 0 HB3 CYS A 11 14.320 -11.706 -12.533 1.00 32.52 H new ATOM 180 N VAL A 12 14.950 -14.994 -9.888 1.00 1.33 N ATOM 181 CA VAL A 12 14.735 -16.353 -9.405 1.00 2.34 C ATOM 182 C VAL A 12 13.709 -16.380 -8.279 1.00 65.54 C ATOM 183 O VAL A 12 12.951 -17.340 -8.139 1.00 52.14 O ATOM 184 CB VAL A 12 16.047 -16.986 -8.905 1.00 70.43 C ATOM 185 CG1 VAL A 12 17.056 -17.091 -10.040 1.00 73.24 C ATOM 186 CG2 VAL A 12 16.618 -16.182 -7.747 1.00 54.01 C ATOM 0 H VAL A 12 15.931 -14.725 -9.968 1.00 1.33 H new ATOM 0 HA VAL A 12 14.360 -16.932 -10.248 1.00 2.34 H new ATOM 0 HB VAL A 12 15.831 -17.993 -8.548 1.00 70.43 H new ATOM 0 HG11 VAL A 12 17.977 -17.540 -9.668 1.00 73.24 H new ATOM 0 HG12 VAL A 12 16.645 -17.712 -10.836 1.00 73.24 H new ATOM 0 HG13 VAL A 12 17.270 -16.096 -10.430 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.545 -16.643 -7.406 1.00 54.01 H new ATOM 0 HG22 VAL A 12 16.820 -15.163 -8.076 1.00 54.01 H new ATOM 0 HG23 VAL A 12 15.899 -16.163 -6.928 1.00 54.01 H new ATOM 196 N ASP A 13 13.689 -15.320 -7.479 1.00 50.12 N ATOM 197 CA ASP A 13 12.754 -15.221 -6.364 1.00 21.44 C ATOM 198 C ASP A 13 11.319 -15.107 -6.867 1.00 13.52 C ATOM 199 O ASP A 13 10.526 -16.039 -6.728 1.00 20.24 O ATOM 200 CB ASP A 13 13.098 -14.015 -5.488 1.00 4.14 C ATOM 201 CG ASP A 13 14.382 -14.214 -4.707 1.00 12.14 C ATOM 202 OD1 ASP A 13 14.366 -14.988 -3.726 1.00 51.22 O1- ATOM 203 OD2 ASP A 13 15.402 -13.597 -5.077 1.00 63.11 O ATOM 0 H ASP A 13 14.309 -14.517 -7.582 1.00 50.12 H new ATOM 0 HA ASP A 13 12.840 -16.130 -5.768 1.00 21.44 H new ATOM 0 HB2 ASP A 13 13.192 -13.129 -6.116 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.279 -13.829 -4.793 1.00 4.14 H new ATOM 208 N ARG A 14 10.991 -13.960 -7.452 1.00 34.15 N ATOM 209 CA ARG A 14 9.650 -13.723 -7.973 1.00 11.34 C ATOM 210 C ARG A 14 9.709 -12.978 -9.304 1.00 1.34 C ATOM 211 O ARG A 14 9.474 -11.771 -9.363 1.00 5.14 O ATOM 212 CB ARG A 14 8.821 -12.925 -6.966 1.00 44.02 C ATOM 213 CG ARG A 14 9.542 -11.707 -6.412 1.00 11.43 C ATOM 214 CD ARG A 14 8.768 -11.075 -5.265 1.00 33.34 C ATOM 215 NE ARG A 14 8.964 -11.796 -4.010 1.00 31.23 N ATOM 216 CZ ARG A 14 8.724 -11.268 -2.815 1.00 33.30 C ATOM 217 NH1 ARG A 14 8.279 -10.021 -2.714 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 8.926 -11.986 -1.717 1.00 13.11 N ATOM 0 H ARG A 14 11.636 -13.180 -7.577 1.00 34.15 H new ATOM 0 HA ARG A 14 9.175 -14.690 -8.137 1.00 11.34 H new ATOM 0 HB2 ARG A 14 7.896 -12.603 -7.444 1.00 44.02 H new ATOM 0 HB3 ARG A 14 8.542 -13.578 -6.139 1.00 44.02 H new ATOM 0 HG2 ARG A 14 10.535 -11.996 -6.067 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.682 -10.973 -7.206 1.00 11.43 H new ATOM 0 HD2 ARG A 14 9.084 -10.039 -5.141 1.00 33.34 H new ATOM 0 HD3 ARG A 14 7.706 -11.057 -5.511 1.00 33.34 H new ATOM 0 HE ARG A 14 9.304 -12.757 -4.054 1.00 31.23 H new ATOM 0 HH11 ARG A 14 8.121 -9.466 -3.555 1.00 64.12 H new ATOM 0 HH12 ARG A 14 8.095 -9.618 -1.795 1.00 64.12 H new ATOM 0 HH21 ARG A 14 9.266 -12.945 -1.790 1.00 13.11 H new ATOM 0 HH22 ARG A 14 8.741 -11.579 -0.800 1.00 13.11 H new ATOM 232 N LYS A 15 10.022 -13.705 -10.370 1.00 52.10 N ATOM 233 CA LYS A 15 10.111 -13.115 -11.700 1.00 21.15 C ATOM 234 C LYS A 15 8.801 -12.431 -12.080 1.00 23.41 C ATOM 235 O LYS A 15 8.785 -11.515 -12.902 1.00 3.31 O ATOM 236 CB LYS A 15 10.456 -14.189 -12.736 1.00 22.05 C ATOM 237 CG LYS A 15 9.603 -15.440 -12.622 1.00 60.24 C ATOM 238 CD LYS A 15 9.610 -16.239 -13.914 1.00 23.34 C ATOM 239 CE LYS A 15 8.681 -15.630 -14.952 1.00 43.34 C ATOM 240 NZ LYS A 15 8.591 -16.470 -16.178 1.00 34.55 N1+ ATOM 0 H LYS A 15 10.219 -14.705 -10.339 1.00 52.10 H new ATOM 0 HA LYS A 15 10.902 -12.365 -11.685 1.00 21.15 H new ATOM 0 HB2 LYS A 15 10.339 -13.769 -13.735 1.00 22.05 H new ATOM 0 HB3 LYS A 15 11.505 -14.464 -12.627 1.00 22.05 H new ATOM 0 HG2 LYS A 15 9.974 -16.061 -11.807 1.00 60.24 H new ATOM 0 HG3 LYS A 15 8.579 -15.162 -12.371 1.00 60.24 H new ATOM 0 HD2 LYS A 15 10.624 -16.280 -14.312 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.306 -17.265 -13.710 1.00 23.34 H new ATOM 0 HE2 LYS A 15 7.687 -15.508 -14.522 1.00 43.34 H new ATOM 0 HE3 LYS A 15 9.037 -14.635 -15.219 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 7.948 -16.020 -16.861 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 9.535 -16.566 -16.603 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 8.227 -17.411 -15.928 1.00 34.55 H new ATOM 254 N ASN A 16 7.707 -12.881 -11.476 1.00 74.22 N ATOM 255 CA ASN A 16 6.394 -12.310 -11.751 1.00 2.32 C ATOM 256 C ASN A 16 6.241 -10.947 -11.082 1.00 61.22 C ATOM 257 O ASN A 16 5.431 -10.123 -11.505 1.00 13.45 O ATOM 258 CB ASN A 16 5.292 -13.255 -11.265 1.00 35.24 C ATOM 259 CG ASN A 16 5.153 -14.482 -12.145 1.00 64.51 C ATOM 260 OD1 ASN A 16 4.758 -14.384 -13.308 1.00 50.32 O ATOM 261 ND2 ASN A 16 5.477 -15.645 -11.594 1.00 31.22 N ATOM 0 H ASN A 16 7.703 -13.639 -10.793 1.00 74.22 H new ATOM 0 HA ASN A 16 6.302 -12.178 -12.829 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.509 -13.567 -10.243 1.00 35.24 H new ATOM 0 HB3 ASN A 16 4.343 -12.720 -11.240 1.00 35.24 H new ATOM 0 HD21 ASN A 16 5.403 -16.505 -12.138 1.00 31.22 H new ATOM 0 HD22 ASN A 16 5.800 -15.679 -10.627 1.00 31.22 H new ATOM 268 N ASP A 17 7.026 -10.717 -10.035 1.00 63.14 N ATOM 269 CA ASP A 17 6.981 -9.455 -9.308 1.00 4.05 C ATOM 270 C ASP A 17 8.288 -8.684 -9.474 1.00 14.43 C ATOM 271 O ASP A 17 8.724 -7.978 -8.565 1.00 10.22 O ATOM 272 CB ASP A 17 6.707 -9.705 -7.825 1.00 62.44 C ATOM 273 CG ASP A 17 5.387 -10.414 -7.591 1.00 12.13 C ATOM 274 OD1 ASP A 17 5.326 -11.642 -7.809 1.00 64.23 O ATOM 275 OD2 ASP A 17 4.415 -9.740 -7.190 1.00 23.40 O1- ATOM 0 H ASP A 17 7.701 -11.389 -9.671 1.00 63.14 H new ATOM 0 HA ASP A 17 6.171 -8.855 -9.723 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.516 -10.302 -7.405 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.704 -8.753 -7.294 1.00 62.44 H new ATOM 280 N CYS A 18 8.908 -8.827 -10.640 1.00 22.14 N ATOM 281 CA CYS A 18 10.167 -8.147 -10.925 1.00 12.03 C ATOM 282 C CYS A 18 9.989 -6.632 -10.875 1.00 12.24 C ATOM 283 O CYS A 18 10.479 -5.968 -9.961 1.00 15.22 O ATOM 284 CB CYS A 18 10.696 -8.565 -12.298 1.00 65.22 C ATOM 285 SG CYS A 18 11.979 -9.855 -12.239 1.00 64.10 S ATOM 0 H CYS A 18 8.560 -9.407 -11.403 1.00 22.14 H new ATOM 0 HA CYS A 18 10.890 -8.436 -10.162 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.863 -8.924 -12.903 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.101 -7.687 -12.802 1.00 65.22 H new ATOM 290 N CYS A 19 9.285 -6.091 -11.864 1.00 52.34 N ATOM 291 CA CYS A 19 9.043 -4.656 -11.933 1.00 50.21 C ATOM 292 C CYS A 19 8.221 -4.303 -13.171 1.00 44.05 C ATOM 293 O CYS A 19 7.690 -5.183 -13.847 1.00 61.25 O ATOM 294 CB CYS A 19 10.368 -3.894 -11.954 1.00 45.44 C ATOM 295 SG CYS A 19 10.411 -2.446 -10.847 1.00 3.21 S ATOM 0 H CYS A 19 8.872 -6.626 -12.628 1.00 52.34 H new ATOM 0 HA CYS A 19 8.479 -4.365 -11.047 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.171 -4.576 -11.675 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.569 -3.565 -12.973 1.00 45.44 H new ATOM 300 N GLU A 20 8.121 -3.009 -13.459 1.00 0.41 N ATOM 301 CA GLU A 20 7.365 -2.539 -14.614 1.00 21.12 C ATOM 302 C GLU A 20 8.250 -2.477 -15.855 1.00 12.24 C ATOM 303 O GLU A 20 9.170 -1.665 -15.934 1.00 33.41 O ATOM 304 CB GLU A 20 6.764 -1.160 -14.332 1.00 34.22 C ATOM 305 CG GLU A 20 5.735 -0.723 -15.361 1.00 61.45 C ATOM 306 CD GLU A 20 5.618 0.784 -15.464 1.00 22.34 C ATOM 307 OE1 GLU A 20 6.578 1.424 -15.941 1.00 2.13 O1- ATOM 308 OE2 GLU A 20 4.564 1.325 -15.067 1.00 41.52 O ATOM 0 H GLU A 20 8.554 -2.268 -12.908 1.00 0.41 H new ATOM 0 HA GLU A 20 6.558 -3.247 -14.800 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.298 -1.170 -13.347 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.567 -0.423 -14.297 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.005 -1.130 -16.335 1.00 61.45 H new ATOM 0 HG3 GLU A 20 4.764 -1.142 -15.099 1.00 61.45 H new ATOM 315 N GLY A 21 7.964 -3.343 -16.823 1.00 40.44 N ATOM 316 CA GLY A 21 8.742 -3.372 -18.047 1.00 52.55 C ATOM 317 C GLY A 21 9.981 -4.236 -17.927 1.00 53.30 C ATOM 318 O GLY A 21 10.991 -3.983 -18.585 1.00 0.22 O ATOM 0 H GLY A 21 7.207 -4.025 -16.781 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.120 -3.746 -18.860 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.036 -2.356 -18.311 1.00 52.55 H new ATOM 322 N LEU A 22 9.906 -5.259 -17.083 1.00 13.10 N ATOM 323 CA LEU A 22 11.032 -6.165 -16.876 1.00 41.51 C ATOM 324 C LEU A 22 10.613 -7.613 -17.104 1.00 64.04 C ATOM 325 O LEU A 22 9.425 -7.935 -17.096 1.00 31.15 O ATOM 326 CB LEU A 22 11.592 -5.999 -15.462 1.00 20.40 C ATOM 327 CG LEU A 22 12.238 -4.649 -15.150 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.883 -4.672 -13.773 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.263 -4.288 -16.215 1.00 73.44 C ATOM 0 H LEU A 22 9.078 -5.482 -16.531 1.00 13.10 H new ATOM 0 HA LEU A 22 11.808 -5.913 -17.598 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.783 -6.165 -14.751 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.332 -6.781 -15.292 1.00 20.40 H new ATOM 0 HG LEU A 22 11.459 -3.887 -15.152 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.338 -3.703 -13.568 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.124 -4.884 -13.019 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.650 -5.446 -13.743 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.712 -3.324 -15.976 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.040 -5.052 -16.247 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.773 -4.229 -17.187 1.00 73.44 H new ATOM 341 N GLU A 23 11.598 -8.484 -17.304 1.00 73.11 N ATOM 342 CA GLU A 23 11.331 -9.899 -17.532 1.00 72.50 C ATOM 343 C GLU A 23 12.450 -10.763 -16.957 1.00 73.15 C ATOM 344 O GLU A 23 13.501 -10.257 -16.564 1.00 53.25 O ATOM 345 CB GLU A 23 11.175 -10.177 -19.029 1.00 42.13 C ATOM 346 CG GLU A 23 9.729 -10.301 -19.478 1.00 54.44 C ATOM 347 CD GLU A 23 9.601 -10.840 -20.889 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.608 -11.351 -21.422 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 8.493 -10.751 -21.460 1.00 62.21 O ATOM 0 H GLU A 23 12.587 -8.234 -17.313 1.00 73.11 H new ATOM 0 HA GLU A 23 10.401 -10.153 -17.024 1.00 72.50 H new ATOM 0 HB2 GLU A 23 11.653 -9.375 -19.591 1.00 42.13 H new ATOM 0 HB3 GLU A 23 11.703 -11.098 -19.276 1.00 42.13 H new ATOM 0 HG2 GLU A 23 9.195 -10.958 -18.792 1.00 54.44 H new ATOM 0 HG3 GLU A 23 9.250 -9.324 -19.421 1.00 54.44 H new ATOM 356 N CYS A 24 12.214 -12.071 -16.910 1.00 3.15 N ATOM 357 CA CYS A 24 13.200 -13.007 -16.383 1.00 43.32 C ATOM 358 C CYS A 24 14.154 -13.468 -17.481 1.00 13.33 C ATOM 359 O CYS A 24 13.726 -13.848 -18.571 1.00 71.04 O ATOM 360 CB CYS A 24 12.501 -14.215 -15.757 1.00 63.05 C ATOM 361 SG CYS A 24 13.523 -15.123 -14.552 1.00 51.21 S ATOM 0 H CYS A 24 11.349 -12.506 -17.230 1.00 3.15 H new ATOM 0 HA CYS A 24 13.780 -12.493 -15.616 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.589 -13.878 -15.264 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.200 -14.899 -16.551 1.00 63.05 H new ATOM 366 N TYR A 25 15.448 -13.432 -17.185 1.00 42.15 N ATOM 367 CA TYR A 25 16.464 -13.844 -18.147 1.00 43.13 C ATOM 368 C TYR A 25 17.099 -15.169 -17.734 1.00 24.34 C ATOM 369 O TYR A 25 17.247 -15.457 -16.547 1.00 2.23 O ATOM 370 CB TYR A 25 17.543 -12.767 -18.275 1.00 24.23 C ATOM 371 CG TYR A 25 18.590 -13.079 -19.319 1.00 72.44 C ATOM 372 CD1 TYR A 25 18.254 -13.162 -20.666 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.915 -13.293 -18.960 1.00 73.43 C ATOM 374 CE1 TYR A 25 19.207 -13.448 -21.623 1.00 40.22 C ATOM 375 CE2 TYR A 25 20.875 -13.579 -19.912 1.00 20.10 C ATOM 376 CZ TYR A 25 20.516 -13.655 -21.242 1.00 72.10 C ATOM 377 OH TYR A 25 21.470 -13.941 -22.192 1.00 42.01 O ATOM 0 H TYR A 25 15.819 -13.122 -16.287 1.00 42.15 H new ATOM 0 HA TYR A 25 15.979 -13.979 -19.114 1.00 43.13 H new ATOM 0 HB2 TYR A 25 17.069 -11.817 -18.521 1.00 24.23 H new ATOM 0 HB3 TYR A 25 18.032 -12.638 -17.309 1.00 24.23 H new ATOM 0 HD1 TYR A 25 17.230 -13.000 -20.969 1.00 1.13 H new ATOM 0 HD2 TYR A 25 20.199 -13.235 -17.920 1.00 73.43 H new ATOM 0 HE1 TYR A 25 18.929 -13.509 -22.665 1.00 40.22 H new ATOM 0 HE2 TYR A 25 21.901 -13.742 -19.616 1.00 20.10 H new ATOM 0 HH TYR A 25 22.340 -14.057 -21.757 1.00 42.01 H new ATOM 387 N LYS A 26 17.474 -15.971 -18.725 1.00 24.35 N ATOM 388 CA LYS A 26 18.096 -17.265 -18.468 1.00 34.53 C ATOM 389 C LYS A 26 19.610 -17.183 -18.634 1.00 64.11 C ATOM 390 O LYS A 26 20.114 -16.425 -19.464 1.00 12.35 O ATOM 391 CB LYS A 26 17.526 -18.324 -19.415 1.00 44.31 C ATOM 392 CG LYS A 26 16.077 -18.678 -19.127 1.00 35.50 C ATOM 393 CD LYS A 26 15.622 -19.874 -19.949 1.00 15.23 C ATOM 394 CE LYS A 26 15.160 -19.453 -21.336 1.00 24.30 C ATOM 395 NZ LYS A 26 16.307 -19.131 -22.228 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.358 -15.748 -19.714 1.00 24.35 H new ATOM 0 HA LYS A 26 17.875 -17.549 -17.439 1.00 34.53 H new ATOM 0 HB2 LYS A 26 17.607 -17.964 -20.441 1.00 44.31 H new ATOM 0 HB3 LYS A 26 18.133 -19.227 -19.345 1.00 44.31 H new ATOM 0 HG2 LYS A 26 15.959 -18.898 -18.066 1.00 35.50 H new ATOM 0 HG3 LYS A 26 15.441 -17.821 -19.347 1.00 35.50 H new ATOM 0 HD2 LYS A 26 16.440 -20.588 -20.038 1.00 15.23 H new ATOM 0 HD3 LYS A 26 14.809 -20.384 -19.432 1.00 15.23 H new ATOM 0 HE2 LYS A 26 14.568 -20.253 -21.780 1.00 24.30 H new ATOM 0 HE3 LYS A 26 14.509 -18.583 -21.253 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 16.103 -19.468 -23.191 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 16.455 -18.102 -22.245 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 17.165 -19.598 -21.872 1.00 45.14 H new ATOM 409 N ARG A 27 20.331 -17.968 -17.840 1.00 13.42 N ATOM 410 CA ARG A 27 21.787 -17.985 -17.899 1.00 2.22 C ATOM 411 C ARG A 27 22.314 -19.416 -17.947 1.00 13.11 C ATOM 412 O ARG A 27 21.585 -20.366 -17.656 1.00 42.10 O ATOM 413 CB ARG A 27 22.376 -17.254 -16.691 1.00 75.21 C ATOM 414 CG ARG A 27 21.811 -15.857 -16.490 1.00 55.10 C ATOM 415 CD ARG A 27 22.816 -14.943 -15.806 1.00 52.24 C ATOM 416 NE ARG A 27 22.401 -13.544 -15.851 1.00 31.33 N ATOM 417 CZ ARG A 27 23.007 -12.575 -15.170 1.00 45.33 C ATOM 418 NH1 ARG A 27 24.046 -12.854 -14.397 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 22.571 -11.326 -15.264 1.00 63.22 N ATOM 0 H ARG A 27 19.930 -18.601 -17.148 1.00 13.42 H new ATOM 0 HA ARG A 27 22.094 -17.473 -18.811 1.00 2.22 H new ATOM 0 HB2 ARG A 27 22.191 -17.844 -15.794 1.00 75.21 H new ATOM 0 HB3 ARG A 27 23.457 -17.186 -16.810 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.531 -15.434 -17.455 1.00 55.10 H new ATOM 0 HG3 ARG A 27 20.902 -15.914 -15.891 1.00 55.10 H new ATOM 0 HD2 ARG A 27 22.939 -15.252 -14.768 1.00 52.24 H new ATOM 0 HD3 ARG A 27 23.788 -15.049 -16.287 1.00 52.24 H new ATOM 0 HE ARG A 27 21.603 -13.296 -16.436 1.00 31.33 H new ATOM 0 HH11 ARG A 27 24.383 -13.814 -14.323 1.00 21.44 H new ATOM 0 HH12 ARG A 27 24.509 -12.109 -13.876 1.00 21.44 H new ATOM 0 HH21 ARG A 27 21.771 -11.108 -15.858 1.00 63.22 H new ATOM 0 HH22 ARG A 27 23.036 -10.583 -14.742 1.00 63.22 H new ATOM 433 N ARG A 28 23.582 -19.563 -18.316 1.00 43.11 N ATOM 434 CA ARG A 28 24.205 -20.878 -18.403 1.00 2.52 C ATOM 435 C ARG A 28 24.453 -21.455 -17.014 1.00 22.11 C ATOM 436 O ARG A 28 23.753 -22.369 -16.575 1.00 62.24 O ATOM 437 CB ARG A 28 25.524 -20.790 -19.174 1.00 42.41 C ATOM 438 CG ARG A 28 25.346 -20.761 -20.684 1.00 2.52 C ATOM 439 CD ARG A 28 25.183 -22.161 -21.253 1.00 0.40 C ATOM 440 NE ARG A 28 25.749 -22.275 -22.595 1.00 0.25 N ATOM 441 CZ ARG A 28 25.821 -23.419 -23.266 1.00 3.54 C ATOM 442 NH1 ARG A 28 25.366 -24.541 -22.724 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 26.350 -23.444 -24.483 1.00 73.13 N ATOM 0 H ARG A 28 24.198 -18.787 -18.560 1.00 43.11 H new ATOM 0 HA ARG A 28 23.524 -21.541 -18.936 1.00 2.52 H new ATOM 0 HB2 ARG A 28 26.058 -19.892 -18.862 1.00 42.41 H new ATOM 0 HB3 ARG A 28 26.149 -21.642 -18.907 1.00 42.41 H new ATOM 0 HG2 ARG A 28 24.472 -20.160 -20.937 1.00 2.52 H new ATOM 0 HG3 ARG A 28 26.208 -20.278 -21.144 1.00 2.52 H new ATOM 0 HD2 ARG A 28 25.668 -22.880 -20.593 1.00 0.40 H new ATOM 0 HD3 ARG A 28 24.124 -22.419 -21.283 1.00 0.40 H new ATOM 0 HE ARG A 28 26.108 -21.431 -23.041 1.00 0.25 H new ATOM 0 HH11 ARG A 28 24.959 -24.527 -21.789 1.00 52.00 H new ATOM 0 HH12 ARG A 28 25.423 -25.418 -23.242 1.00 52.00 H new ATOM 0 HH21 ARG A 28 26.702 -22.584 -24.904 1.00 73.13 H new ATOM 0 HH22 ARG A 28 26.405 -24.323 -24.997 1.00 73.13 H new ATOM 457 N HIS A 29 25.455 -20.917 -16.325 1.00 34.43 N ATOM 458 CA HIS A 29 25.796 -21.380 -14.984 1.00 5.34 C ATOM 459 C HIS A 29 25.625 -20.258 -13.963 1.00 60.13 C ATOM 460 O HIS A 29 26.269 -20.257 -12.914 1.00 45.11 O ATOM 461 CB HIS A 29 27.233 -21.900 -14.951 1.00 0.11 C ATOM 462 CG HIS A 29 27.446 -23.008 -13.966 1.00 24.13 C ATOM 463 ND1 HIS A 29 27.781 -22.788 -12.647 1.00 73.30 N ATOM 464 CD2 HIS A 29 27.369 -24.352 -14.115 1.00 14.44 C ATOM 465 CE1 HIS A 29 27.902 -23.949 -12.027 1.00 50.01 C ATOM 466 NE2 HIS A 29 27.657 -24.913 -12.896 1.00 1.05 N ATOM 0 H HIS A 29 26.044 -20.161 -16.673 1.00 34.43 H new ATOM 0 HA HIS A 29 25.118 -22.192 -14.723 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.506 -22.252 -15.946 1.00 0.11 H new ATOM 0 HB3 HIS A 29 27.904 -21.076 -14.709 1.00 0.11 H new ATOM 0 HD2 HIS A 29 27.126 -24.883 -15.024 1.00 14.44 H new ATOM 0 HE1 HIS A 29 28.158 -24.086 -10.987 1.00 50.01 H new ATOM 0 HE2 HIS A 29 27.678 -25.913 -12.694 1.00 1.05 H new ATOM 474 N SER A 30 24.754 -19.306 -14.279 1.00 51.21 N ATOM 475 CA SER A 30 24.501 -18.176 -13.391 1.00 2.20 C ATOM 476 C SER A 30 23.049 -18.165 -12.924 1.00 21.10 C ATOM 477 O SER A 30 22.277 -19.073 -13.236 1.00 1.23 O ATOM 478 CB SER A 30 24.831 -16.861 -14.098 1.00 61.21 C ATOM 479 OG SER A 30 26.232 -16.654 -14.163 1.00 2.24 O ATOM 0 H SER A 30 24.211 -19.294 -15.143 1.00 51.21 H new ATOM 0 HA SER A 30 25.144 -18.282 -12.517 1.00 2.20 H new ATOM 0 HB2 SER A 30 24.415 -16.872 -15.105 1.00 61.21 H new ATOM 0 HB3 SER A 30 24.362 -16.032 -13.568 1.00 61.21 H new ATOM 0 HG SER A 30 26.417 -15.808 -14.621 1.00 2.24 H new ATOM 485 N PHE A 31 22.682 -17.132 -12.175 1.00 74.44 N ATOM 486 CA PHE A 31 21.322 -17.001 -11.663 1.00 15.34 C ATOM 487 C PHE A 31 20.487 -16.095 -12.563 1.00 41.21 C ATOM 488 O PHE A 31 21.020 -15.220 -13.245 1.00 41.32 O ATOM 489 CB PHE A 31 21.342 -16.445 -10.237 1.00 25.20 C ATOM 490 CG PHE A 31 22.171 -15.202 -10.090 1.00 42.32 C ATOM 491 CD1 PHE A 31 21.624 -13.955 -10.343 1.00 32.25 C ATOM 492 CD2 PHE A 31 23.499 -15.281 -9.700 1.00 55.24 C ATOM 493 CE1 PHE A 31 22.385 -12.808 -10.209 1.00 32.13 C ATOM 494 CE2 PHE A 31 24.264 -14.138 -9.563 1.00 41.41 C ATOM 495 CZ PHE A 31 23.707 -12.900 -9.819 1.00 42.13 C ATOM 0 H PHE A 31 23.307 -16.372 -11.908 1.00 74.44 H new ATOM 0 HA PHE A 31 20.867 -17.992 -11.653 1.00 15.34 H new ATOM 0 HB2 PHE A 31 20.320 -16.229 -9.925 1.00 25.20 H new ATOM 0 HB3 PHE A 31 21.726 -17.210 -9.563 1.00 25.20 H new ATOM 0 HD1 PHE A 31 20.591 -13.877 -10.649 1.00 32.25 H new ATOM 0 HD2 PHE A 31 23.941 -16.246 -9.501 1.00 55.24 H new ATOM 0 HE1 PHE A 31 21.946 -11.842 -10.409 1.00 32.13 H new ATOM 0 HE2 PHE A 31 25.297 -14.213 -9.256 1.00 41.41 H new ATOM 0 HZ PHE A 31 24.304 -12.006 -9.714 1.00 42.13 H new ATOM 505 N GLU A 32 19.176 -16.313 -12.559 1.00 14.44 N ATOM 506 CA GLU A 32 18.267 -15.517 -13.375 1.00 22.14 C ATOM 507 C GLU A 32 18.028 -14.148 -12.746 1.00 51.44 C ATOM 508 O GLU A 32 17.779 -14.039 -11.545 1.00 63.24 O ATOM 509 CB GLU A 32 16.936 -16.249 -13.556 1.00 52.23 C ATOM 510 CG GLU A 32 17.083 -17.752 -13.715 1.00 22.11 C ATOM 511 CD GLU A 32 16.188 -18.314 -14.802 1.00 4.05 C ATOM 512 OE1 GLU A 32 16.173 -17.743 -15.912 1.00 42.42 O ATOM 513 OE2 GLU A 32 15.503 -19.326 -14.543 1.00 23.41 O1- ATOM 0 H GLU A 32 18.720 -17.034 -12.000 1.00 14.44 H new ATOM 0 HA GLU A 32 18.728 -15.372 -14.352 1.00 22.14 H new ATOM 0 HB2 GLU A 32 16.299 -16.044 -12.696 1.00 52.23 H new ATOM 0 HB3 GLU A 32 16.427 -15.848 -14.432 1.00 52.23 H new ATOM 0 HG2 GLU A 32 18.121 -17.989 -13.946 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.848 -18.238 -12.768 1.00 22.11 H new ATOM 520 N VAL A 33 18.105 -13.104 -13.565 1.00 62.34 N ATOM 521 CA VAL A 33 17.895 -11.742 -13.090 1.00 22.01 C ATOM 522 C VAL A 33 16.916 -10.992 -13.986 1.00 53.22 C ATOM 523 O VAL A 33 16.679 -11.382 -15.130 1.00 65.03 O ATOM 524 CB VAL A 33 19.221 -10.959 -13.028 1.00 32.31 C ATOM 525 CG1 VAL A 33 20.327 -11.828 -12.450 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.600 -10.447 -14.409 1.00 64.44 C ATOM 0 H VAL A 33 18.311 -13.176 -14.561 1.00 62.34 H new ATOM 0 HA VAL A 33 17.478 -11.818 -12.086 1.00 22.01 H new ATOM 0 HB VAL A 33 19.087 -10.100 -12.371 1.00 32.31 H new ATOM 0 HG11 VAL A 33 21.256 -11.259 -12.414 1.00 3.23 H new ATOM 0 HG12 VAL A 33 20.054 -12.142 -11.442 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.465 -12.708 -13.079 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.539 -9.896 -14.348 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.718 -11.290 -15.090 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.816 -9.787 -14.780 1.00 64.44 H new ATOM 536 N CYS A 34 16.350 -9.911 -13.459 1.00 44.23 N ATOM 537 CA CYS A 34 15.396 -9.104 -14.211 1.00 2.34 C ATOM 538 C CYS A 34 16.084 -8.382 -15.366 1.00 74.42 C ATOM 539 O CYS A 34 17.225 -7.937 -15.241 1.00 63.45 O ATOM 540 CB CYS A 34 14.720 -8.087 -13.289 1.00 12.11 C ATOM 541 SG CYS A 34 13.634 -8.830 -12.029 1.00 33.54 S ATOM 0 H CYS A 34 16.535 -9.574 -12.514 1.00 44.23 H new ATOM 0 HA CYS A 34 14.639 -9.771 -14.623 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.489 -7.499 -12.789 1.00 12.11 H new ATOM 0 HB3 CYS A 34 14.135 -7.396 -13.896 1.00 12.11 H new ATOM 546 N VAL A 35 15.382 -8.271 -16.489 1.00 52.22 N ATOM 547 CA VAL A 35 15.923 -7.603 -17.666 1.00 73.22 C ATOM 548 C VAL A 35 14.871 -6.723 -18.332 1.00 34.14 C ATOM 549 O VAL A 35 13.677 -7.019 -18.313 1.00 74.20 O ATOM 550 CB VAL A 35 16.454 -8.619 -18.694 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.681 -9.337 -18.154 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.365 -9.614 -19.068 1.00 13.23 C ATOM 0 H VAL A 35 14.437 -8.635 -16.608 1.00 52.22 H new ATOM 0 HA VAL A 35 16.749 -6.979 -17.324 1.00 73.22 H new ATOM 0 HB VAL A 35 16.748 -8.079 -19.594 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.041 -10.050 -18.895 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.464 -8.609 -17.941 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.419 -9.867 -17.238 1.00 55.34 H new ATOM 0 HG21 VAL A 35 15.756 -10.325 -19.795 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.039 -10.149 -18.176 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.518 -9.081 -19.501 1.00 13.23 H new ATOM 562 N PRO A 36 15.323 -5.614 -18.935 1.00 14.42 N ATOM 563 CA PRO A 36 14.436 -4.668 -19.621 1.00 15.12 C ATOM 564 C PRO A 36 13.852 -5.248 -20.904 1.00 33.54 C ATOM 565 O PRO A 36 14.584 -5.740 -21.763 1.00 61.25 O ATOM 566 CB PRO A 36 15.355 -3.485 -19.936 1.00 24.35 C ATOM 567 CG PRO A 36 16.723 -4.074 -19.996 1.00 33.43 C ATOM 568 CD PRO A 36 16.734 -5.198 -18.996 1.00 44.32 C ATOM 0 HA PRO A 36 13.572 -4.403 -19.012 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.085 -3.014 -20.881 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.288 -2.716 -19.166 1.00 24.35 H new ATOM 0 HG2 PRO A 36 16.946 -4.441 -20.998 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.480 -3.328 -19.753 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.380 -6.015 -19.317 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.098 -4.867 -18.023 1.00 44.32 H new ATOM 576 N ILE A 37 12.531 -5.184 -21.029 1.00 43.04 N ATOM 577 CA ILE A 37 11.850 -5.701 -22.209 1.00 30.13 C ATOM 578 C ILE A 37 11.977 -4.737 -23.384 1.00 62.14 C ATOM 579 O ILE A 37 11.756 -3.532 -23.257 1.00 13.55 O ATOM 580 CB ILE A 37 10.358 -5.958 -21.930 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.196 -6.977 -20.800 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.658 -6.443 -23.192 1.00 52.54 C ATOM 583 CD1 ILE A 37 8.924 -6.795 -20.001 1.00 30.21 C ATOM 0 H ILE A 37 11.911 -4.779 -20.327 1.00 43.04 H new ATOM 0 HA ILE A 37 12.332 -6.645 -22.463 1.00 30.13 H new ATOM 0 HB ILE A 37 9.896 -5.021 -21.619 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.210 -7.982 -21.223 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.051 -6.902 -20.129 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.604 -6.620 -22.978 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.748 -5.686 -23.972 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.120 -7.370 -23.531 1.00 52.54 H new ATOM 0 HD11 ILE A 37 8.875 -7.551 -19.217 1.00 30.21 H new ATOM 0 HD12 ILE A 37 8.917 -5.803 -19.549 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.062 -6.899 -20.660 1.00 30.21 H new ATOM 595 N PRO A 38 12.341 -5.277 -24.556 1.00 44.01 N ATOM 596 CA PRO A 38 12.504 -4.483 -25.777 1.00 45.20 C ATOM 597 C PRO A 38 11.174 -3.968 -26.316 1.00 54.33 C ATOM 598 O PRO A 38 10.194 -4.709 -26.387 1.00 60.25 O ATOM 599 CB PRO A 38 13.134 -5.471 -26.762 1.00 73.53 C ATOM 600 CG PRO A 38 12.705 -6.814 -26.277 1.00 4.32 C ATOM 601 CD PRO A 38 12.621 -6.705 -24.780 1.00 74.43 C ATOM 0 HA PRO A 38 13.105 -3.590 -25.605 1.00 45.20 H new ATOM 0 HB2 PRO A 38 12.790 -5.289 -27.780 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.220 -5.382 -26.772 1.00 73.53 H new ATOM 0 HG2 PRO A 38 11.741 -7.093 -26.703 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.419 -7.582 -26.573 1.00 4.32 H new ATOM 0 HD2 PRO A 38 11.831 -7.338 -24.375 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.551 -7.012 -24.302 1.00 74.43 H new ATOM 609 N GLY A 39 11.146 -2.694 -26.694 1.00 4.32 N ATOM 610 CA GLY A 39 9.931 -2.103 -27.222 1.00 65.10 C ATOM 611 C GLY A 39 8.874 -1.900 -26.154 1.00 13.00 C ATOM 612 O GLY A 39 7.734 -1.547 -26.459 1.00 24.44 O ATOM 0 H GLY A 39 11.944 -2.060 -26.644 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.167 -1.144 -27.682 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.531 -2.743 -28.008 1.00 65.10 H new ATOM 616 N PHE A 40 9.251 -2.124 -24.900 1.00 1.42 N ATOM 617 CA PHE A 40 8.326 -1.966 -23.783 1.00 63.23 C ATOM 618 C PHE A 40 7.789 -0.539 -23.720 1.00 75.24 C ATOM 619 O PHE A 40 8.494 0.417 -24.044 1.00 4.41 O ATOM 620 CB PHE A 40 9.019 -2.321 -22.466 1.00 21.42 C ATOM 621 CG PHE A 40 8.324 -1.769 -21.255 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.132 -2.322 -20.812 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.860 -0.699 -20.559 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.489 -1.815 -19.699 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.222 -0.188 -19.445 1.00 1.00 C ATOM 626 CZ PHE A 40 7.035 -0.748 -19.013 1.00 62.30 C ATOM 0 H PHE A 40 10.191 -2.416 -24.631 1.00 1.42 H new ATOM 0 HA PHE A 40 7.487 -2.645 -23.939 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.079 -3.406 -22.377 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.042 -1.946 -22.490 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.701 -3.158 -21.343 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.788 -0.258 -20.891 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.560 -2.253 -19.366 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.651 0.648 -18.913 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.535 -0.352 -18.141 1.00 62.30 H new ATOM 636 N CYS A 41 6.536 -0.404 -23.301 1.00 41.12 N ATOM 637 CA CYS A 41 5.902 0.905 -23.195 1.00 52.51 C ATOM 638 C CYS A 41 4.716 0.858 -22.236 1.00 43.12 C ATOM 639 O CYS A 41 4.499 -0.139 -21.547 1.00 21.44 O ATOM 640 CB CYS A 41 5.439 1.383 -24.572 1.00 65.44 C ATOM 641 SG CYS A 41 4.010 0.469 -25.236 1.00 51.34 S ATOM 0 H CYS A 41 5.939 -1.185 -23.029 1.00 41.12 H new ATOM 0 HA CYS A 41 6.637 1.607 -22.802 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.183 2.441 -24.510 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.269 1.296 -25.273 1.00 65.44 H new ATOM 646 N LEU A 42 3.951 1.944 -22.196 1.00 12.45 N ATOM 647 CA LEU A 42 2.787 2.029 -21.321 1.00 22.41 C ATOM 648 C LEU A 42 1.525 2.331 -22.123 1.00 51.03 C ATOM 649 O LEU A 42 1.590 2.622 -23.318 1.00 23.33 O ATOM 650 CB LEU A 42 3.000 3.106 -20.257 1.00 3.12 C ATOM 651 CG LEU A 42 4.370 3.118 -19.578 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.484 4.298 -18.627 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.608 1.810 -18.837 1.00 64.35 C ATOM 0 H LEU A 42 4.116 2.778 -22.760 1.00 12.45 H new ATOM 0 HA LEU A 42 2.661 1.064 -20.830 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.837 4.080 -20.717 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.237 2.985 -19.488 1.00 3.12 H new ATOM 0 HG LEU A 42 5.135 3.223 -20.347 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.466 4.290 -18.153 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.357 5.227 -19.183 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.711 4.225 -17.862 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.588 1.835 -18.360 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.837 1.677 -18.078 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.570 0.980 -19.542 1.00 64.35 H new ATOM 665 N VAL A 43 0.376 2.263 -21.458 1.00 43.30 N ATOM 666 CA VAL A 43 -0.901 2.533 -22.107 1.00 31.01 C ATOM 667 C VAL A 43 -1.555 3.785 -21.532 1.00 54.02 C ATOM 668 O VAL A 43 -0.977 4.470 -20.688 1.00 1.44 O ATOM 669 CB VAL A 43 -1.870 1.345 -21.956 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.366 0.143 -22.740 1.00 24.03 C ATOM 671 CG2 VAL A 43 -2.056 0.993 -20.487 1.00 2.01 C ATOM 0 H VAL A 43 0.304 2.023 -20.469 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.692 2.689 -23.165 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.839 1.634 -22.363 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -2.063 -0.687 -22.622 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.288 0.404 -23.795 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.385 -0.151 -22.365 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.743 0.152 -20.399 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.093 0.722 -20.053 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.464 1.853 -19.956 1.00 2.01 H new ATOM 681 N LYS A 44 -2.767 4.077 -21.994 1.00 2.34 N ATOM 682 CA LYS A 44 -3.503 5.245 -21.526 1.00 53.21 C ATOM 683 C LYS A 44 -4.206 4.951 -20.206 1.00 52.14 C ATOM 684 O LYS A 44 -4.923 5.798 -19.672 1.00 22.22 O ATOM 685 CB LYS A 44 -4.527 5.682 -22.576 1.00 61.32 C ATOM 686 CG LYS A 44 -5.620 4.658 -22.823 1.00 71.24 C ATOM 687 CD LYS A 44 -5.477 4.008 -24.189 1.00 71.12 C ATOM 688 CE LYS A 44 -6.796 3.422 -24.669 1.00 11.52 C ATOM 689 NZ LYS A 44 -6.654 2.739 -25.984 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.260 3.520 -22.692 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.790 6.053 -21.365 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.984 6.619 -22.258 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.010 5.882 -23.514 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.583 3.892 -22.049 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.595 5.140 -22.749 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.122 4.746 -24.909 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.724 3.221 -24.142 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.169 2.713 -23.930 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.538 4.216 -24.751 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -7.575 2.353 -26.276 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -6.323 3.421 -26.696 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -5.965 1.964 -25.900 1.00 43.31 H new ATOM 703 N TRP A 45 -3.996 3.749 -19.684 1.00 61.52 N ATOM 704 CA TRP A 45 -4.610 3.344 -18.424 1.00 74.50 C ATOM 705 C TRP A 45 -3.552 2.898 -17.421 1.00 42.02 C ATOM 706 O TRP A 45 -3.858 2.220 -16.440 1.00 73.52 O ATOM 707 CB TRP A 45 -5.614 2.215 -18.661 1.00 42.20 C ATOM 708 CG TRP A 45 -6.754 2.611 -19.549 1.00 43.15 C ATOM 709 CD1 TRP A 45 -7.030 2.126 -20.795 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.772 3.576 -19.258 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.157 2.731 -21.297 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.631 3.625 -20.373 1.00 25.41 C ATOM 713 CE3 TRP A 45 -8.040 4.404 -18.165 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.738 4.467 -20.423 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.138 5.241 -18.216 1.00 34.23 C ATOM 716 CH2 TRP A 45 -9.977 5.266 -19.339 1.00 24.53 C ATOM 0 H TRP A 45 -3.405 3.037 -20.113 1.00 61.52 H new ATOM 0 HA TRP A 45 -5.134 4.206 -18.011 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -5.096 1.365 -19.104 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -6.009 1.882 -17.701 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.448 1.377 -21.311 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.573 2.545 -22.209 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.400 4.390 -17.295 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.385 4.489 -21.287 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.353 5.886 -17.377 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.829 5.929 -19.348 1.00 24.53 H new ATOM 727 N LYS A 46 -2.305 3.283 -17.672 1.00 42.21 N ATOM 728 CA LYS A 46 -1.201 2.924 -16.791 1.00 51.21 C ATOM 729 C LYS A 46 -0.603 4.164 -16.134 1.00 0.41 C ATOM 730 O LYS A 46 -0.688 5.266 -16.677 1.00 73.52 O ATOM 731 CB LYS A 46 -0.119 2.177 -17.573 1.00 62.45 C ATOM 732 CG LYS A 46 -0.410 0.697 -17.753 1.00 61.44 C ATOM 733 CD LYS A 46 0.435 -0.156 -16.821 1.00 44.12 C ATOM 734 CE LYS A 46 0.689 -1.536 -17.406 1.00 21.31 C ATOM 735 NZ LYS A 46 0.561 -2.606 -16.378 1.00 41.31 N1+ ATOM 0 H LYS A 46 -2.034 3.844 -18.479 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.591 2.272 -16.009 1.00 51.21 H new ATOM 0 HB2 LYS A 46 -0.008 2.639 -18.554 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.834 2.291 -17.057 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.466 0.507 -17.563 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.215 0.410 -18.786 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.386 0.342 -16.633 1.00 44.12 H new ATOM 0 HD3 LYS A 46 -0.069 -0.254 -15.859 1.00 44.12 H new ATOM 0 HE2 LYS A 46 -0.017 -1.723 -18.215 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.688 -1.568 -17.841 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 0.741 -3.532 -16.816 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 1.252 -2.442 -15.618 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 -0.400 -2.592 -15.981 1.00 41.31 H new ATOM 749 N GLN A 47 0.002 3.977 -14.965 1.00 64.53 N ATOM 750 CA GLN A 47 0.614 5.081 -14.237 1.00 74.13 C ATOM 751 C GLN A 47 1.747 5.706 -15.045 1.00 13.14 C ATOM 752 O GLN A 47 2.564 5.000 -15.636 1.00 23.10 O ATOM 753 CB GLN A 47 1.144 4.598 -12.886 1.00 24.11 C ATOM 754 CG GLN A 47 0.282 5.023 -11.708 1.00 62.21 C ATOM 755 CD GLN A 47 0.558 4.209 -10.459 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.709 3.893 -10.151 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.497 3.865 -9.730 1.00 45.00 N ATOM 0 H GLN A 47 0.081 3.071 -14.503 1.00 64.53 H new ATOM 0 HA GLN A 47 -0.151 5.840 -14.070 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.215 3.510 -12.900 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.154 4.981 -12.743 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.458 6.078 -11.496 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.769 4.923 -11.977 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.433 4.148 -10.022 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.372 3.318 -8.878 1.00 45.00 H new ATOM 766 N CYS A 48 1.788 7.034 -15.069 1.00 31.24 N ATOM 767 CA CYS A 48 2.819 7.755 -15.806 1.00 22.31 C ATOM 768 C CYS A 48 3.931 8.220 -14.871 1.00 55.30 C ATOM 769 O CYS A 48 5.034 8.541 -15.312 1.00 50.32 O ATOM 770 CB CYS A 48 2.210 8.957 -16.531 1.00 73.10 C ATOM 771 SG CYS A 48 1.865 10.381 -15.447 1.00 25.31 S ATOM 0 H CYS A 48 1.118 7.633 -14.586 1.00 31.24 H new ATOM 0 HA CYS A 48 3.248 7.075 -16.542 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.889 9.273 -17.323 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.282 8.646 -17.012 1.00 73.10 H new ATOM 776 N ASP A 49 3.633 8.252 -13.576 1.00 45.13 N ATOM 777 CA ASP A 49 4.607 8.675 -12.578 1.00 34.44 C ATOM 778 C ASP A 49 5.925 7.925 -12.750 1.00 31.03 C ATOM 779 O ASP A 49 5.977 6.704 -12.616 1.00 25.13 O ATOM 780 CB ASP A 49 4.058 8.448 -11.169 1.00 20.02 C ATOM 781 CG ASP A 49 4.813 9.238 -10.117 1.00 23.14 C ATOM 782 OD1 ASP A 49 4.532 10.445 -9.967 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.687 8.648 -9.447 1.00 41.44 O ATOM 0 H ASP A 49 2.724 7.990 -13.194 1.00 45.13 H new ATOM 0 HA ASP A 49 4.794 9.739 -12.720 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.005 8.729 -11.143 1.00 20.02 H new ATOM 0 HB3 ASP A 49 4.111 7.386 -10.929 1.00 20.02 H new ATOM 788 N GLY A 50 6.987 8.666 -13.051 1.00 64.44 N ATOM 789 CA GLY A 50 8.289 8.054 -13.239 1.00 42.12 C ATOM 790 C GLY A 50 8.537 7.648 -14.679 1.00 40.31 C ATOM 791 O GLY A 50 9.673 7.670 -15.150 1.00 15.21 O ATOM 0 H GLY A 50 6.969 9.679 -13.168 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.064 8.752 -12.923 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.370 7.176 -12.598 1.00 42.12 H new ATOM 795 N ARG A 51 7.470 7.273 -15.377 1.00 1.11 N ATOM 796 CA ARG A 51 7.577 6.856 -16.771 1.00 3.05 C ATOM 797 C ARG A 51 6.917 7.877 -17.695 1.00 2.25 C ATOM 798 O ARG A 51 6.263 7.511 -18.670 1.00 3.34 O ATOM 799 CB ARG A 51 6.931 5.484 -16.965 1.00 51.11 C ATOM 800 CG ARG A 51 7.725 4.345 -16.345 1.00 20.31 C ATOM 801 CD ARG A 51 7.530 4.285 -14.839 1.00 11.03 C ATOM 802 NE ARG A 51 8.041 3.042 -14.269 1.00 71.21 N ATOM 803 CZ ARG A 51 9.333 2.791 -14.092 1.00 71.51 C ATOM 804 NH1 ARG A 51 10.241 3.692 -14.440 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 9.720 1.635 -13.567 1.00 71.12 N ATOM 0 H ARG A 51 6.522 7.249 -15.001 1.00 1.11 H new ATOM 0 HA ARG A 51 8.635 6.791 -17.026 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.931 5.498 -16.531 1.00 51.11 H new ATOM 0 HB3 ARG A 51 6.813 5.295 -18.032 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.416 3.400 -16.791 1.00 20.31 H new ATOM 0 HG3 ARG A 51 8.784 4.473 -16.571 1.00 20.31 H new ATOM 0 HD2 ARG A 51 8.036 5.131 -14.374 1.00 11.03 H new ATOM 0 HD3 ARG A 51 6.469 4.381 -14.607 1.00 11.03 H new ATOM 0 HE ARG A 51 7.369 2.327 -13.991 1.00 71.21 H new ATOM 0 HH11 ARG A 51 9.948 4.581 -14.845 1.00 5.32 H new ATOM 0 HH12 ARG A 51 11.233 3.496 -14.303 1.00 5.32 H new ATOM 0 HH21 ARG A 51 9.025 0.938 -13.299 1.00 71.12 H new ATOM 0 HH22 ARG A 51 10.713 1.443 -13.432 1.00 71.12 H new ATOM 819 N GLU A 52 7.096 9.156 -17.379 1.00 24.42 N ATOM 820 CA GLU A 52 6.516 10.227 -18.181 1.00 31.15 C ATOM 821 C GLU A 52 7.068 10.200 -19.605 1.00 45.14 C ATOM 822 O GLU A 52 6.491 10.794 -20.516 1.00 54.45 O ATOM 823 CB GLU A 52 6.801 11.586 -17.538 1.00 70.10 C ATOM 824 CG GLU A 52 8.268 11.979 -17.567 1.00 13.21 C ATOM 825 CD GLU A 52 8.618 13.006 -16.508 1.00 41.43 C ATOM 826 OE1 GLU A 52 8.494 14.215 -16.790 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.015 12.599 -15.396 1.00 51.44 O1- ATOM 0 H GLU A 52 7.637 9.475 -16.575 1.00 24.42 H new ATOM 0 HA GLU A 52 5.438 10.072 -18.224 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.219 12.351 -18.052 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.459 11.567 -16.503 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.881 11.090 -17.422 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.514 12.379 -18.551 1.00 13.21 H new ATOM 834 N ARG A 53 8.188 9.508 -19.785 1.00 4.13 N ATOM 835 CA ARG A 53 8.818 9.406 -21.096 1.00 53.25 C ATOM 836 C ARG A 53 9.038 7.945 -21.480 1.00 61.40 C ATOM 837 O ARG A 53 9.919 7.629 -22.279 1.00 72.20 O ATOM 838 CB ARG A 53 10.153 10.151 -21.103 1.00 72.43 C ATOM 839 CG ARG A 53 10.040 11.607 -20.681 1.00 65.33 C ATOM 840 CD ARG A 53 11.142 12.454 -21.298 1.00 3.24 C ATOM 841 NE ARG A 53 10.942 12.652 -22.731 1.00 34.41 N ATOM 842 CZ ARG A 53 10.111 13.556 -23.239 1.00 52.53 C ATOM 843 NH1 ARG A 53 9.408 14.340 -22.435 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 9.984 13.677 -24.554 1.00 14.35 N ATOM 0 H ARG A 53 8.677 9.010 -19.041 1.00 4.13 H new ATOM 0 HA ARG A 53 8.151 9.861 -21.828 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.848 9.641 -20.436 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.581 10.104 -22.105 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.068 11.999 -20.980 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.091 11.677 -19.594 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.177 13.423 -20.800 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.106 11.974 -21.129 1.00 3.24 H new ATOM 0 HE ARG A 53 11.469 12.064 -23.377 1.00 34.41 H new ATOM 0 HH11 ARG A 53 9.504 14.251 -21.423 1.00 75.13 H new ATOM 0 HH12 ARG A 53 8.771 15.033 -22.828 1.00 75.13 H new ATOM 0 HH21 ARG A 53 10.524 13.076 -25.176 1.00 14.35 H new ATOM 0 HH22 ARG A 53 9.346 14.371 -24.943 1.00 14.35 H new ATOM 858 N ASP A 54 8.230 7.060 -20.907 1.00 54.44 N ATOM 859 CA ASP A 54 8.336 5.634 -21.189 1.00 31.21 C ATOM 860 C ASP A 54 7.088 5.128 -21.908 1.00 61.13 C ATOM 861 O ASP A 54 7.126 4.109 -22.599 1.00 60.01 O ATOM 862 CB ASP A 54 8.545 4.849 -19.894 1.00 61.24 C ATOM 863 CG ASP A 54 9.679 3.848 -19.999 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.835 3.240 -21.080 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.409 3.672 -19.002 1.00 42.13 O ATOM 0 H ASP A 54 7.494 7.305 -20.244 1.00 54.44 H new ATOM 0 HA ASP A 54 9.197 5.482 -21.840 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.753 5.544 -19.081 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.624 4.325 -19.638 1.00 61.24 H new ATOM 870 N CYS A 55 5.983 5.848 -21.741 1.00 51.44 N ATOM 871 CA CYS A 55 4.724 5.473 -22.372 1.00 52.31 C ATOM 872 C CYS A 55 4.914 5.232 -23.867 1.00 63.35 C ATOM 873 O CYS A 55 5.959 5.558 -24.431 1.00 61.14 O ATOM 874 CB CYS A 55 3.674 6.563 -22.149 1.00 15.01 C ATOM 875 SG CYS A 55 3.401 6.986 -20.398 1.00 50.34 S ATOM 0 H CYS A 55 5.935 6.694 -21.174 1.00 51.44 H new ATOM 0 HA CYS A 55 4.379 4.546 -21.914 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.979 7.462 -22.685 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.729 6.237 -22.584 1.00 15.01 H new ATOM 880 N CYS A 56 3.897 4.660 -24.503 1.00 32.14 N ATOM 881 CA CYS A 56 3.951 4.376 -25.931 1.00 3.14 C ATOM 882 C CYS A 56 3.983 5.668 -26.742 1.00 52.12 C ATOM 883 O CYS A 56 3.963 6.764 -26.184 1.00 1.22 O ATOM 884 CB CYS A 56 2.748 3.528 -26.349 1.00 72.45 C ATOM 885 SG CYS A 56 3.083 1.738 -26.404 1.00 3.31 S ATOM 0 H CYS A 56 3.025 4.384 -24.051 1.00 32.14 H new ATOM 0 HA CYS A 56 4.867 3.820 -26.131 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.928 3.712 -25.655 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.411 3.854 -27.333 1.00 72.45 H new ATOM 890 N ALA A 57 4.032 5.529 -28.063 1.00 24.11 N ATOM 891 CA ALA A 57 4.064 6.685 -28.952 1.00 42.23 C ATOM 892 C ALA A 57 2.702 7.369 -29.013 1.00 72.42 C ATOM 893 O ALA A 57 1.693 6.738 -29.325 1.00 32.44 O ATOM 894 CB ALA A 57 4.509 6.267 -30.346 1.00 3.21 C ATOM 0 H ALA A 57 4.050 4.628 -28.541 1.00 24.11 H new ATOM 0 HA ALA A 57 4.783 7.400 -28.552 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.528 7.140 -30.999 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.507 5.831 -30.294 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.811 5.531 -30.745 1.00 3.21 H new ATOM 900 N GLY A 58 2.682 8.664 -28.710 1.00 45.51 N ATOM 901 CA GLY A 58 1.438 9.411 -28.736 1.00 33.35 C ATOM 902 C GLY A 58 0.881 9.658 -27.349 1.00 32.21 C ATOM 903 O GLY A 58 0.044 10.541 -27.154 1.00 4.20 O ATOM 0 H GLY A 58 3.504 9.208 -28.447 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.602 10.367 -29.234 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.703 8.866 -29.328 1.00 33.35 H new ATOM 907 N LEU A 59 1.343 8.874 -26.379 1.00 62.12 N ATOM 908 CA LEU A 59 0.884 9.010 -25.002 1.00 12.44 C ATOM 909 C LEU A 59 1.631 10.132 -24.287 1.00 51.41 C ATOM 910 O LEU A 59 2.566 10.715 -24.835 1.00 13.31 O ATOM 911 CB LEU A 59 1.078 7.694 -24.247 1.00 0.22 C ATOM 912 CG LEU A 59 0.040 6.604 -24.520 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.364 5.346 -23.730 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.358 7.103 -24.182 1.00 50.20 C ATOM 0 H LEU A 59 2.035 8.138 -26.522 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.177 9.259 -25.022 1.00 12.44 H new ATOM 0 HB2 LEU A 59 2.064 7.299 -24.493 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.078 7.908 -23.178 1.00 0.22 H new ATOM 0 HG LEU A 59 0.071 6.358 -25.582 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.386 4.583 -23.938 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.348 4.977 -24.021 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.363 5.575 -22.664 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.084 6.315 -24.382 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.401 7.377 -23.128 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.591 7.975 -24.794 1.00 50.20 H new ATOM 926 N GLU A 60 1.210 10.429 -23.061 1.00 13.01 N ATOM 927 CA GLU A 60 1.841 11.481 -22.273 1.00 5.33 C ATOM 928 C GLU A 60 1.441 11.373 -20.804 1.00 35.33 C ATOM 929 O GLU A 60 0.407 10.794 -20.470 1.00 50.25 O ATOM 930 CB GLU A 60 1.456 12.858 -22.818 1.00 50.33 C ATOM 931 CG GLU A 60 0.005 13.230 -22.561 1.00 41.10 C ATOM 932 CD GLU A 60 -0.562 14.141 -23.633 1.00 3.12 C ATOM 933 OE1 GLU A 60 0.151 15.076 -24.053 1.00 52.34 O ATOM 934 OE2 GLU A 60 -1.717 13.918 -24.052 1.00 2.21 O1- ATOM 0 H GLU A 60 0.436 9.957 -22.593 1.00 13.01 H new ATOM 0 HA GLU A 60 2.921 11.358 -22.348 1.00 5.33 H new ATOM 0 HB2 GLU A 60 2.101 13.612 -22.366 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.643 12.880 -23.892 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.595 12.322 -22.507 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.074 13.723 -21.592 1.00 41.10 H new ATOM 941 N CYS A 61 2.268 11.935 -19.929 1.00 32.21 N ATOM 942 CA CYS A 61 2.003 11.902 -18.495 1.00 32.23 C ATOM 943 C CYS A 61 0.773 12.736 -18.150 1.00 41.14 C ATOM 944 O CYS A 61 0.863 13.951 -17.973 1.00 25.31 O ATOM 945 CB CYS A 61 3.217 12.418 -17.720 1.00 74.11 C ATOM 946 SG CYS A 61 3.360 11.748 -16.032 1.00 3.45 S ATOM 0 H CYS A 61 3.128 12.419 -20.188 1.00 32.21 H new ATOM 0 HA CYS A 61 1.810 10.868 -18.209 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.122 12.171 -18.276 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.164 13.505 -17.665 1.00 74.11 H new ATOM 951 N TRP A 62 -0.375 12.075 -18.056 1.00 31.21 N ATOM 952 CA TRP A 62 -1.625 12.754 -17.732 1.00 62.54 C ATOM 953 C TRP A 62 -1.723 13.029 -16.236 1.00 11.34 C ATOM 954 O TRP A 62 -1.486 12.143 -15.415 1.00 63.25 O ATOM 955 CB TRP A 62 -2.819 11.916 -18.189 1.00 22.53 C ATOM 956 CG TRP A 62 -4.066 12.720 -18.396 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.177 14.082 -18.364 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.379 12.215 -18.663 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.481 14.451 -18.595 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.237 13.325 -18.783 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.911 10.932 -18.815 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.597 13.189 -19.047 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.262 10.798 -19.076 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.092 11.921 -19.191 1.00 43.24 C ATOM 0 H TRP A 62 -0.467 11.069 -18.200 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.638 13.708 -18.259 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.563 11.410 -19.120 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -3.014 11.141 -17.448 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.361 14.767 -18.184 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.829 15.409 -18.622 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.278 10.061 -18.730 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.239 14.053 -19.135 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.685 9.811 -19.193 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.143 11.783 -19.397 1.00 43.24 H new ATOM 975 N LYS A 63 -2.073 14.262 -15.886 1.00 23.40 N ATOM 976 CA LYS A 63 -2.204 14.654 -14.487 1.00 52.14 C ATOM 977 C LYS A 63 -3.669 14.677 -14.065 1.00 24.33 C ATOM 978 O LYS A 63 -4.386 15.642 -14.329 1.00 41.02 O ATOM 979 CB LYS A 63 -1.575 16.030 -14.260 1.00 44.12 C ATOM 980 CG LYS A 63 -0.909 16.177 -12.904 1.00 53.51 C ATOM 981 CD LYS A 63 -1.925 16.473 -11.813 1.00 4.40 C ATOM 982 CE LYS A 63 -2.415 15.197 -11.147 1.00 40.12 C ATOM 983 NZ LYS A 63 -1.606 14.852 -9.946 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.271 15.008 -16.553 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.680 13.918 -13.878 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.837 16.216 -15.040 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.346 16.794 -14.362 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.370 15.261 -12.661 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -0.173 16.980 -12.944 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -1.477 17.126 -11.064 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -2.772 17.011 -12.239 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -3.460 15.316 -10.859 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -2.373 14.375 -11.862 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -1.972 13.976 -9.521 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -0.613 14.714 -10.224 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -1.667 15.625 -9.253 1.00 71.35 H new ATOM 997 N ARG A 64 -4.108 13.610 -13.405 1.00 23.41 N ATOM 998 CA ARG A 64 -5.487 13.509 -12.945 1.00 20.52 C ATOM 999 C ARG A 64 -5.546 13.368 -11.427 1.00 15.01 C ATOM 1000 O ARG A 64 -4.833 12.553 -10.841 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.182 12.317 -13.605 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.088 12.704 -14.762 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.329 11.529 -15.697 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.617 10.887 -15.448 1.00 4.33 N ATOM 1005 CZ ARG A 64 -8.946 9.690 -15.922 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -8.085 9.010 -16.667 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.136 9.172 -15.652 1.00 55.42 N ATOM 0 H ARG A 64 -3.528 12.803 -13.177 1.00 23.41 H new ATOM 0 HA ARG A 64 -6.005 14.425 -13.228 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.425 11.620 -13.965 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.771 11.789 -12.855 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -8.041 13.064 -14.375 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.639 13.527 -15.318 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.290 11.874 -16.730 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.530 10.798 -15.574 1.00 21.45 H new ATOM 0 HE ARG A 64 -9.302 11.385 -14.879 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -7.169 9.406 -16.877 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -8.339 8.091 -17.030 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.801 9.692 -15.080 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -10.387 8.253 -16.017 1.00 55.42 H new ATOM 1021 N SER A 65 -6.399 14.169 -10.795 1.00 20.12 N ATOM 1022 CA SER A 65 -6.547 14.138 -9.345 1.00 63.33 C ATOM 1023 C SER A 65 -8.019 14.079 -8.951 1.00 1.01 C ATOM 1024 O SER A 65 -8.851 14.795 -9.507 1.00 23.41 O ATOM 1025 CB SER A 65 -5.887 15.366 -8.717 1.00 25.02 C ATOM 1026 OG SER A 65 -6.433 16.564 -9.242 1.00 51.35 O ATOM 0 H SER A 65 -6.998 14.847 -11.265 1.00 20.12 H new ATOM 0 HA SER A 65 -6.053 13.240 -8.973 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.024 15.343 -7.636 1.00 25.02 H new ATOM 0 HB3 SER A 65 -4.813 15.340 -8.903 1.00 25.02 H new ATOM 0 HG SER A 65 -5.995 17.334 -8.823 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.333 13.221 -7.985 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.705 13.084 -7.532 1.00 32.50 C ATOM 1034 C GLY A 66 -10.304 11.739 -7.894 1.00 23.21 C ATOM 1035 O GLY A 66 -11.254 11.285 -7.259 1.00 21.34 O ATOM 0 H GLY A 66 -7.662 12.619 -7.508 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.742 13.215 -6.451 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.310 13.878 -7.971 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.748 11.103 -8.920 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.235 9.803 -9.367 1.00 52.31 C ATOM 1041 C ASN A 67 -9.225 8.705 -9.049 1.00 13.21 C ATOM 1042 O ASN A 67 -9.574 7.674 -8.473 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.517 9.832 -10.871 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.822 10.530 -11.201 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.774 10.492 -10.421 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.873 11.171 -12.363 1.00 50.12 N ATOM 0 H ASN A 67 -8.961 11.466 -9.457 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.161 9.586 -8.834 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.698 10.338 -11.382 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.548 8.811 -11.252 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.725 11.658 -12.640 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -11.060 11.176 -12.979 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.972 8.932 -9.427 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.911 7.964 -9.181 1.00 70.13 C ATOM 1055 C LYS A 68 -5.538 8.607 -9.354 1.00 24.21 C ATOM 1056 O LYS A 68 -5.432 9.791 -9.672 1.00 24.20 O ATOM 1057 CB LYS A 68 -7.050 6.771 -10.128 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.837 5.614 -9.538 1.00 42.15 C ATOM 1059 CD LYS A 68 -7.392 4.282 -10.122 1.00 51.10 C ATOM 1060 CE LYS A 68 -6.083 3.814 -9.506 1.00 54.14 C ATOM 1061 NZ LYS A 68 -6.296 3.135 -8.198 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.666 9.779 -9.906 1.00 13.24 H new ATOM 0 HA LYS A 68 -7.003 7.615 -8.152 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.538 7.101 -11.045 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -6.056 6.420 -10.404 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -7.708 5.599 -8.456 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.900 5.760 -9.730 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -8.164 3.532 -9.951 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -7.274 4.378 -11.201 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -5.583 3.131 -10.192 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -5.421 4.669 -9.368 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -5.380 2.831 -7.811 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -6.750 3.794 -7.534 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -6.907 2.304 -8.333 1.00 5.22 H new ATOM 1075 N SER A 69 -4.489 7.817 -9.143 1.00 71.50 N ATOM 1076 CA SER A 69 -3.123 8.311 -9.274 1.00 14.31 C ATOM 1077 C SER A 69 -2.875 8.857 -10.677 1.00 24.23 C ATOM 1078 O SER A 69 -3.754 8.815 -11.537 1.00 73.23 O ATOM 1079 CB SER A 69 -2.124 7.193 -8.967 1.00 24.24 C ATOM 1080 OG SER A 69 -1.814 7.153 -7.585 1.00 64.42 O ATOM 0 H SER A 69 -4.559 6.834 -8.881 1.00 71.50 H new ATOM 0 HA SER A 69 -2.985 9.121 -8.558 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.539 6.234 -9.278 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.212 7.347 -9.543 1.00 24.24 H new ATOM 0 HG SER A 69 -1.175 6.430 -7.414 1.00 64.42 H new ATOM 1086 N SER A 70 -1.669 9.372 -10.900 1.00 24.02 N ATOM 1087 CA SER A 70 -1.305 9.932 -12.196 1.00 70.11 C ATOM 1088 C SER A 70 -1.181 8.833 -13.247 1.00 12.53 C ATOM 1089 O SER A 70 -0.408 7.888 -13.086 1.00 34.55 O ATOM 1090 CB SER A 70 0.012 10.703 -12.090 1.00 35.12 C ATOM 1091 OG SER A 70 0.146 11.311 -10.817 1.00 4.53 O ATOM 0 H SER A 70 -0.928 9.413 -10.200 1.00 24.02 H new ATOM 0 HA SER A 70 -2.095 10.617 -12.503 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.848 10.026 -12.263 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.054 11.466 -12.867 1.00 35.12 H new ATOM 0 HG SER A 70 0.996 11.796 -10.774 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.949 8.963 -14.324 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.925 7.983 -15.403 1.00 51.23 C ATOM 1099 C VAL A 71 -1.488 8.622 -16.717 1.00 35.12 C ATOM 1100 O VAL A 71 -1.238 9.826 -16.782 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.306 7.329 -15.597 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.624 6.400 -14.436 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.382 8.393 -15.751 1.00 25.23 C ATOM 0 H VAL A 71 -2.596 9.738 -14.472 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.204 7.216 -15.118 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.283 6.734 -16.510 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.603 5.947 -14.590 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.867 5.618 -14.378 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.630 6.969 -13.506 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.351 7.913 -15.887 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.408 9.016 -14.857 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.159 9.013 -16.619 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.399 7.808 -17.764 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.993 8.292 -19.077 1.00 12.45 C ATOM 1115 C CYS A 72 -2.193 8.401 -20.012 1.00 40.11 C ATOM 1116 O CYS A 72 -3.191 7.700 -19.842 1.00 33.42 O ATOM 1117 CB CYS A 72 0.058 7.361 -19.684 1.00 45.13 C ATOM 1118 SG CYS A 72 1.728 8.083 -19.776 1.00 32.40 S ATOM 0 H CYS A 72 -1.603 6.809 -17.728 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.561 9.285 -18.953 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.102 6.446 -19.093 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.259 7.078 -20.688 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.089 9.282 -21.001 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.164 9.482 -21.964 1.00 74.50 C ATOM 1125 C ALA A 73 -2.610 9.829 -23.342 1.00 24.12 C ATOM 1126 O ALA A 73 -1.490 10.319 -23.480 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.109 10.572 -21.483 1.00 34.14 C ATOM 0 H ALA A 73 -1.270 9.869 -21.156 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.719 8.548 -22.049 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.907 10.710 -22.213 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.540 10.283 -20.524 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.558 11.505 -21.366 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.411 9.570 -24.385 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.021 9.847 -25.771 1.00 3.31 C ATOM 1135 C PRO A 74 -2.956 11.342 -26.066 1.00 22.40 C ATOM 1136 O PRO A 74 -3.332 12.165 -25.231 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.132 9.188 -26.592 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.311 9.162 -25.682 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.760 8.986 -24.294 1.00 71.33 C ATOM 0 HA PRO A 74 -2.024 9.468 -25.997 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.344 9.755 -27.498 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.850 8.182 -26.904 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.884 10.086 -25.760 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -5.985 8.346 -25.940 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.371 9.499 -23.551 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.724 7.935 -24.006 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.479 11.685 -27.259 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.368 13.081 -27.663 1.00 21.04 C ATOM 1149 C ILE A 75 -3.720 13.782 -27.598 1.00 1.24 C ATOM 1150 O ILE A 75 -4.768 13.152 -27.748 1.00 71.12 O ATOM 1151 CB ILE A 75 -1.805 13.209 -29.091 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.554 12.276 -30.044 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.315 12.901 -29.102 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.428 12.671 -31.499 1.00 54.32 C ATOM 0 H ILE A 75 -2.164 11.016 -27.961 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.681 13.558 -26.964 1.00 21.04 H new ATOM 0 HB ILE A 75 -1.947 14.235 -29.431 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.177 11.261 -29.917 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.609 12.260 -29.770 1.00 51.41 H new ATOM 0 HG21 ILE A 75 0.069 12.996 -30.118 1.00 51.24 H new ATOM 0 HG22 ILE A 75 0.206 13.602 -28.451 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.151 11.884 -28.745 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -2.984 11.966 -32.117 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -2.832 13.674 -31.640 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.378 12.659 -31.790 1.00 54.32 H new ATOM 1166 N THR A 76 -3.692 15.091 -27.373 1.00 52.02 N ATOM 1167 CA THR A 76 -4.915 15.880 -27.288 1.00 31.24 C ATOM 1168 C THR A 76 -4.810 17.149 -28.126 1.00 33.21 C ATOM 1169 O THR A 76 -5.740 17.506 -28.850 1.00 71.35 O ATOM 1170 CB THR A 76 -5.236 16.264 -25.832 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.246 17.174 -25.337 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.286 15.030 -24.945 1.00 61.00 C ATOM 0 H THR A 76 -2.834 15.628 -27.246 1.00 52.02 H new ATOM 0 HA THR A 76 -5.721 15.257 -27.677 1.00 31.24 H new ATOM 0 HB THR A 76 -6.214 16.745 -25.813 1.00 2.31 H new ATOM 0 HG1 THR A 76 -4.457 17.415 -24.411 1.00 24.25 H new ATOM 0 HG21 THR A 76 -5.514 15.327 -23.921 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.059 14.352 -25.307 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.320 14.525 -24.970 1.00 61.00 H new TER 1180 THR A 76