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 Set 1.1: A 15 LYS NZ :NH3+ 161:sc= -0.0557 (180deg=-0.322) USER MOD Set 1.2: A 16 ASN : amide:sc= 0 X(o=-0.056,f=-0.32) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 28:sc= 0.252 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc=-0.00172 X(o=-0.0017,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00608) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.42) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 37:sc= 0.00226 USER MOD Single : A 67 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.9!) USER MOD Single : A 68 LYS NZ :NH3+ -168:sc= -0.0248 (180deg=-0.233) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0308 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.233 -0.834 0.682 1.00 72.21 N ATOM 2 CA SER A 1 3.420 -0.193 0.129 1.00 21.12 C ATOM 3 C SER A 1 4.615 -1.142 0.161 1.00 45.33 C ATOM 4 O SER A 1 5.258 -1.312 1.196 1.00 4.45 O ATOM 5 CB SER A 1 3.747 1.083 0.908 1.00 10.44 C ATOM 6 OG SER A 1 2.878 2.141 0.539 1.00 60.43 O ATOM 0 H1 SER A 1 1.433 -0.170 0.650 1.00 72.21 H new ATOM 0 H2 SER A 1 2.003 -1.680 0.123 1.00 72.21 H new ATOM 0 H3 SER A 1 2.415 -1.110 1.668 1.00 72.21 H new ATOM 0 HA SER A 1 3.212 0.067 -0.909 1.00 21.12 H new ATOM 0 HB2 SER A 1 3.660 0.893 1.978 1.00 10.44 H new ATOM 0 HB3 SER A 1 4.780 1.374 0.719 1.00 10.44 H new ATOM 0 HG SER A 1 3.105 2.945 1.051 1.00 60.43 H new ATOM 12 N ASN A 2 4.906 -1.757 -0.980 1.00 23.30 N ATOM 13 CA ASN A 2 6.023 -2.689 -1.084 1.00 5.33 C ATOM 14 C ASN A 2 6.757 -2.513 -2.409 1.00 74.30 C ATOM 15 O ASN A 2 6.212 -2.796 -3.474 1.00 40.12 O ATOM 16 CB ASN A 2 5.525 -4.129 -0.951 1.00 13.33 C ATOM 17 CG ASN A 2 4.888 -4.400 0.398 1.00 3.04 C ATOM 18 OD1 ASN A 2 3.674 -4.279 0.560 1.00 33.21 O ATOM 19 ND2 ASN A 2 5.708 -4.767 1.377 1.00 61.32 N ATOM 0 H ASN A 2 4.384 -1.627 -1.846 1.00 23.30 H new ATOM 0 HA ASN A 2 6.719 -2.476 -0.273 1.00 5.33 H new ATOM 0 HB2 ASN A 2 4.801 -4.334 -1.739 1.00 13.33 H new ATOM 0 HB3 ASN A 2 6.360 -4.814 -1.099 1.00 13.33 H new ATOM 0 HD21 ASN A 2 5.337 -4.961 2.307 1.00 61.32 H new ATOM 0 HD22 ASN A 2 6.708 -4.855 1.198 1.00 61.32 H new ATOM 26 N GLU A 3 7.999 -2.044 -2.333 1.00 13.45 N ATOM 27 CA GLU A 3 8.808 -1.830 -3.528 1.00 73.43 C ATOM 28 C GLU A 3 8.895 -3.105 -4.361 1.00 44.23 C ATOM 29 O GLU A 3 8.553 -4.191 -3.893 1.00 60.13 O ATOM 30 CB GLU A 3 10.214 -1.363 -3.141 1.00 22.32 C ATOM 31 CG GLU A 3 10.293 0.116 -2.804 1.00 15.25 C ATOM 32 CD GLU A 3 11.540 0.469 -2.019 1.00 55.13 C ATOM 33 OE1 GLU A 3 12.638 0.467 -2.615 1.00 20.33 O ATOM 34 OE2 GLU A 3 11.420 0.749 -0.807 1.00 21.11 O1- ATOM 0 H GLU A 3 8.466 -1.805 -1.458 1.00 13.45 H new ATOM 0 HA GLU A 3 8.328 -1.057 -4.128 1.00 73.43 H new ATOM 0 HB2 GLU A 3 10.556 -1.941 -2.283 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.898 -1.577 -3.963 1.00 22.32 H new ATOM 0 HG2 GLU A 3 10.272 0.697 -3.726 1.00 15.25 H new ATOM 0 HG3 GLU A 3 9.413 0.401 -2.228 1.00 15.25 H new ATOM 41 N CYS A 4 9.355 -2.964 -5.600 1.00 52.22 N ATOM 42 CA CYS A 4 9.486 -4.103 -6.501 1.00 21.31 C ATOM 43 C CYS A 4 10.936 -4.576 -6.572 1.00 74.32 C ATOM 44 O CYS A 4 11.832 -3.947 -6.009 1.00 44.11 O ATOM 45 CB CYS A 4 8.990 -3.733 -7.900 1.00 51.15 C ATOM 46 SG CYS A 4 9.942 -2.400 -8.698 1.00 11.12 S ATOM 0 H CYS A 4 9.643 -2.072 -6.003 1.00 52.22 H new ATOM 0 HA CYS A 4 8.875 -4.916 -6.110 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.026 -4.620 -8.533 1.00 51.15 H new ATOM 0 HB3 CYS A 4 7.945 -3.430 -7.835 1.00 51.15 H new ATOM 51 N ILE A 5 11.156 -5.687 -7.267 1.00 31.52 N ATOM 52 CA ILE A 5 12.495 -6.242 -7.413 1.00 72.10 C ATOM 53 C ILE A 5 13.369 -5.349 -8.286 1.00 53.01 C ATOM 54 O ILE A 5 13.108 -5.181 -9.477 1.00 4.05 O ATOM 55 CB ILE A 5 12.454 -7.656 -8.023 1.00 12.53 C ATOM 56 CG1 ILE A 5 11.520 -8.558 -7.214 1.00 62.43 C ATOM 57 CG2 ILE A 5 13.855 -8.250 -8.078 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.260 -9.898 -7.866 1.00 31.22 C ATOM 0 H ILE A 5 10.424 -6.220 -7.737 1.00 31.52 H new ATOM 0 HA ILE A 5 12.924 -6.298 -6.413 1.00 72.10 H new ATOM 0 HB ILE A 5 12.069 -7.585 -9.040 1.00 12.53 H new ATOM 0 HG12 ILE A 5 11.951 -8.721 -6.226 1.00 62.43 H new ATOM 0 HG13 ILE A 5 10.570 -8.044 -7.066 1.00 62.43 H new ATOM 0 HG21 ILE A 5 13.810 -9.249 -8.511 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.495 -7.617 -8.692 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.265 -8.310 -7.070 1.00 31.52 H new ATOM 0 HD11 ILE A 5 10.590 -10.485 -7.237 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.800 -9.745 -8.842 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.202 -10.432 -7.989 1.00 31.22 H new ATOM 70 N ARG A 6 14.410 -4.780 -7.686 1.00 34.14 N ATOM 71 CA ARG A 6 15.323 -3.903 -8.408 1.00 41.52 C ATOM 72 C ARG A 6 15.837 -4.581 -9.675 1.00 31.32 C ATOM 73 O ARG A 6 15.945 -5.805 -9.738 1.00 14.52 O ATOM 74 CB ARG A 6 16.501 -3.510 -7.514 1.00 30.43 C ATOM 75 CG ARG A 6 16.150 -2.462 -6.472 1.00 22.22 C ATOM 76 CD ARG A 6 15.928 -3.088 -5.103 1.00 30.33 C ATOM 77 NE ARG A 6 17.167 -3.182 -4.336 1.00 51.53 N ATOM 78 CZ ARG A 6 17.222 -3.594 -3.075 1.00 44.12 C ATOM 79 NH1 ARG A 6 16.113 -3.951 -2.443 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 18.387 -3.652 -2.444 1.00 11.21 N ATOM 0 H ARG A 6 14.642 -4.911 -6.701 1.00 34.14 H new ATOM 0 HA ARG A 6 14.776 -3.004 -8.692 1.00 41.52 H new ATOM 0 HB2 ARG A 6 16.876 -4.400 -7.010 1.00 30.43 H new ATOM 0 HB3 ARG A 6 17.310 -3.132 -8.139 1.00 30.43 H new ATOM 0 HG2 ARG A 6 16.952 -1.726 -6.411 1.00 22.22 H new ATOM 0 HG3 ARG A 6 15.250 -1.929 -6.780 1.00 22.22 H new ATOM 0 HD2 ARG A 6 15.202 -2.495 -4.547 1.00 30.33 H new ATOM 0 HD3 ARG A 6 15.501 -4.083 -5.225 1.00 30.33 H new ATOM 0 HE ARG A 6 18.039 -2.916 -4.794 1.00 51.53 H new ATOM 0 HH11 ARG A 6 15.215 -3.910 -2.925 1.00 51.33 H new ATOM 0 HH12 ARG A 6 16.157 -4.267 -1.474 1.00 51.33 H new ATOM 0 HH21 ARG A 6 19.243 -3.380 -2.927 1.00 11.21 H new ATOM 0 HH22 ARG A 6 18.427 -3.969 -1.475 1.00 11.21 H new ATOM 94 N LYS A 7 16.152 -3.775 -10.685 1.00 12.45 N ATOM 95 CA LYS A 7 16.655 -4.294 -11.950 1.00 74.33 C ATOM 96 C LYS A 7 18.054 -4.878 -11.781 1.00 3.13 C ATOM 97 O LYS A 7 18.851 -4.385 -10.984 1.00 45.21 O ATOM 98 CB LYS A 7 16.677 -3.187 -13.007 1.00 25.23 C ATOM 99 CG LYS A 7 16.886 -3.699 -14.421 1.00 71.33 C ATOM 100 CD LYS A 7 16.532 -2.644 -15.454 1.00 42.04 C ATOM 101 CE LYS A 7 17.549 -1.513 -15.466 1.00 22.14 C ATOM 102 NZ LYS A 7 17.204 -0.465 -16.467 1.00 43.20 N1+ ATOM 0 H LYS A 7 16.067 -2.759 -10.650 1.00 12.45 H new ATOM 0 HA LYS A 7 15.986 -5.089 -12.279 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.737 -2.637 -12.964 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.471 -2.481 -12.764 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.925 -4.001 -14.550 1.00 71.33 H new ATOM 0 HG3 LYS A 7 16.274 -4.587 -14.582 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.484 -3.102 -16.442 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.542 -2.242 -15.241 1.00 42.04 H new ATOM 0 HE2 LYS A 7 17.604 -1.064 -14.474 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.537 -1.916 -15.688 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 17.922 0.287 -16.443 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 17.177 -0.888 -17.417 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 16.272 -0.062 -16.241 1.00 43.20 H new ATOM 116 N TRP A 8 18.346 -5.931 -12.537 1.00 12.14 N ATOM 117 CA TRP A 8 19.650 -6.581 -12.472 1.00 60.14 C ATOM 118 C TRP A 8 19.995 -6.964 -11.037 1.00 43.13 C ATOM 119 O TRP A 8 21.090 -6.675 -10.553 1.00 71.13 O ATOM 120 CB TRP A 8 20.731 -5.661 -13.041 1.00 3.43 C ATOM 121 CG TRP A 8 20.702 -5.567 -14.537 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.363 -4.474 -15.283 1.00 3.11 C ATOM 123 CD2 TRP A 8 21.024 -6.607 -15.467 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.455 -4.772 -16.621 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.858 -6.073 -16.761 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.437 -7.935 -15.334 1.00 2.53 C ATOM 127 CZ2 TRP A 8 21.091 -6.824 -17.910 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.667 -8.678 -16.476 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.494 -8.122 -17.750 1.00 64.05 C ATOM 0 H TRP A 8 17.697 -6.353 -13.202 1.00 12.14 H new ATOM 0 HA TRP A 8 19.605 -7.490 -13.071 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.609 -4.664 -12.619 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.710 -6.023 -12.725 1.00 3.43 H new ATOM 0 HD1 TRP A 8 20.066 -3.517 -14.880 1.00 3.11 H new ATOM 0 HE1 TRP A 8 20.255 -4.128 -17.386 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.574 -8.373 -14.356 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.958 -6.397 -18.893 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.986 -9.706 -16.385 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.682 -8.729 -18.623 1.00 64.05 H new ATOM 140 N LEU A 9 19.056 -7.615 -10.361 1.00 24.33 N ATOM 141 CA LEU A 9 19.262 -8.038 -8.980 1.00 13.42 C ATOM 142 C LEU A 9 19.065 -9.544 -8.835 1.00 32.14 C ATOM 143 O LEU A 9 20.000 -10.274 -8.506 1.00 32.51 O ATOM 144 CB LEU A 9 18.301 -7.296 -8.049 1.00 64.42 C ATOM 145 CG LEU A 9 18.704 -7.237 -6.575 1.00 13.01 C ATOM 146 CD1 LEU A 9 19.562 -6.011 -6.305 1.00 21.52 C ATOM 147 CD2 LEU A 9 17.471 -7.234 -5.684 1.00 2.10 C ATOM 0 H LEU A 9 18.144 -7.862 -10.746 1.00 24.33 H new ATOM 0 HA LEU A 9 20.288 -7.796 -8.702 1.00 13.42 H new ATOM 0 HB2 LEU A 9 18.188 -6.276 -8.415 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.322 -7.770 -8.118 1.00 64.42 H new ATOM 0 HG LEU A 9 19.292 -8.125 -6.344 1.00 13.01 H new ATOM 0 HD11 LEU A 9 19.839 -5.986 -5.251 1.00 21.52 H new ATOM 0 HD12 LEU A 9 20.463 -6.056 -6.916 1.00 21.52 H new ATOM 0 HD13 LEU A 9 18.999 -5.111 -6.554 1.00 21.52 H new ATOM 0 HD21 LEU A 9 17.777 -7.192 -4.639 1.00 2.10 H new ATOM 0 HD22 LEU A 9 16.856 -6.365 -5.917 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.895 -8.143 -5.857 1.00 2.10 H new ATOM 159 N SER A 10 17.843 -10.003 -9.088 1.00 45.25 N ATOM 160 CA SER A 10 17.523 -11.422 -8.986 1.00 64.14 C ATOM 161 C SER A 10 16.081 -11.686 -9.410 1.00 64.00 C ATOM 162 O SER A 10 15.147 -11.086 -8.878 1.00 53.42 O ATOM 163 CB SER A 10 17.744 -11.914 -7.554 1.00 54.12 C ATOM 164 OG SER A 10 16.978 -11.158 -6.631 1.00 65.41 O ATOM 0 H SER A 10 17.059 -9.413 -9.365 1.00 45.25 H new ATOM 0 HA SER A 10 18.186 -11.968 -9.657 1.00 64.14 H new ATOM 0 HB2 SER A 10 17.471 -12.967 -7.482 1.00 54.12 H new ATOM 0 HB3 SER A 10 18.801 -11.841 -7.300 1.00 54.12 H new ATOM 0 HG SER A 10 16.174 -10.817 -7.075 1.00 65.41 H new ATOM 170 N CYS A 11 15.910 -12.587 -10.371 1.00 71.34 N ATOM 171 CA CYS A 11 14.583 -12.932 -10.869 1.00 40.34 C ATOM 172 C CYS A 11 14.080 -14.222 -10.228 1.00 4.42 C ATOM 173 O CYS A 11 12.875 -14.461 -10.152 1.00 25.34 O ATOM 174 CB CYS A 11 14.610 -13.082 -12.390 1.00 32.52 C ATOM 175 SG CYS A 11 13.015 -13.580 -13.117 1.00 22.00 S ATOM 0 H CYS A 11 16.674 -13.092 -10.821 1.00 71.34 H new ATOM 0 HA CYS A 11 13.901 -12.125 -10.602 1.00 40.34 H new ATOM 0 HB2 CYS A 11 14.919 -12.135 -12.832 1.00 32.52 H new ATOM 0 HB3 CYS A 11 15.366 -13.820 -12.658 1.00 32.52 H new ATOM 180 N VAL A 12 15.013 -15.050 -9.768 1.00 1.33 N ATOM 181 CA VAL A 12 14.665 -16.315 -9.132 1.00 2.34 C ATOM 182 C VAL A 12 13.632 -16.112 -8.030 1.00 65.54 C ATOM 183 O VAL A 12 12.816 -16.993 -7.757 1.00 52.14 O ATOM 184 CB VAL A 12 15.907 -17.003 -8.535 1.00 70.43 C ATOM 185 CG1 VAL A 12 16.913 -17.331 -9.628 1.00 73.24 C ATOM 186 CG2 VAL A 12 16.538 -16.127 -7.463 1.00 54.01 C ATOM 0 H VAL A 12 16.015 -14.867 -9.824 1.00 1.33 H new ATOM 0 HA VAL A 12 14.242 -16.953 -9.908 1.00 2.34 H new ATOM 0 HB VAL A 12 15.595 -17.938 -8.070 1.00 70.43 H new ATOM 0 HG11 VAL A 12 17.784 -17.817 -9.187 1.00 73.24 H new ATOM 0 HG12 VAL A 12 16.454 -18.000 -10.356 1.00 73.24 H new ATOM 0 HG13 VAL A 12 17.223 -16.412 -10.125 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.414 -16.629 -7.052 1.00 54.01 H new ATOM 0 HG22 VAL A 12 16.837 -15.175 -7.901 1.00 54.01 H new ATOM 0 HG23 VAL A 12 15.815 -15.949 -6.667 1.00 54.01 H new ATOM 196 N ASP A 13 13.672 -14.943 -7.398 1.00 50.12 N ATOM 197 CA ASP A 13 12.737 -14.621 -6.325 1.00 21.44 C ATOM 198 C ASP A 13 11.306 -14.567 -6.850 1.00 13.52 C ATOM 199 O ASP A 13 10.468 -15.390 -6.482 1.00 20.24 O ATOM 200 CB ASP A 13 13.109 -13.285 -5.681 1.00 4.14 C ATOM 201 CG ASP A 13 12.520 -13.129 -4.292 1.00 12.14 C ATOM 202 OD1 ASP A 13 13.157 -13.589 -3.323 1.00 63.11 O ATOM 203 OD2 ASP A 13 11.420 -12.546 -4.176 1.00 51.22 O1- ATOM 0 H ASP A 13 14.341 -14.203 -7.610 1.00 50.12 H new ATOM 0 HA ASP A 13 12.799 -15.408 -5.573 1.00 21.44 H new ATOM 0 HB2 ASP A 13 14.194 -13.202 -5.624 1.00 4.14 H new ATOM 0 HB3 ASP A 13 12.760 -12.470 -6.314 1.00 4.14 H new ATOM 208 N ARG A 14 11.033 -13.591 -7.710 1.00 34.15 N ATOM 209 CA ARG A 14 9.702 -13.428 -8.283 1.00 11.34 C ATOM 210 C ARG A 14 9.785 -12.857 -9.695 1.00 1.34 C ATOM 211 O ARG A 14 10.039 -11.667 -9.882 1.00 5.14 O ATOM 212 CB ARG A 14 8.853 -12.511 -7.400 1.00 44.02 C ATOM 213 CG ARG A 14 8.502 -13.118 -6.051 1.00 11.43 C ATOM 214 CD ARG A 14 7.922 -12.078 -5.106 1.00 33.34 C ATOM 215 NE ARG A 14 7.202 -12.691 -3.993 1.00 31.23 N ATOM 216 CZ ARG A 14 6.935 -12.062 -2.854 1.00 33.30 C ATOM 217 NH1 ARG A 14 7.328 -10.808 -2.679 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 6.275 -12.687 -1.888 1.00 13.11 N ATOM 0 H ARG A 14 11.715 -12.902 -8.025 1.00 34.15 H new ATOM 0 HA ARG A 14 9.232 -14.410 -8.334 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.390 -11.576 -7.240 1.00 44.02 H new ATOM 0 HB3 ARG A 14 7.932 -12.263 -7.928 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.783 -13.926 -6.190 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.394 -13.558 -5.606 1.00 11.43 H new ATOM 0 HD2 ARG A 14 8.726 -11.453 -4.717 1.00 33.34 H new ATOM 0 HD3 ARG A 14 7.247 -11.423 -5.658 1.00 33.34 H new ATOM 0 HE ARG A 14 6.887 -13.656 -4.096 1.00 31.23 H new ATOM 0 HH11 ARG A 14 7.836 -10.325 -3.420 1.00 64.12 H new ATOM 0 HH12 ARG A 14 7.122 -10.326 -1.804 1.00 64.12 H new ATOM 0 HH21 ARG A 14 5.972 -13.652 -2.019 1.00 13.11 H new ATOM 0 HH22 ARG A 14 6.071 -12.203 -1.014 1.00 13.11 H new ATOM 232 N LYS A 15 9.569 -13.714 -10.688 1.00 52.10 N ATOM 233 CA LYS A 15 9.618 -13.297 -12.084 1.00 21.15 C ATOM 234 C LYS A 15 8.404 -12.446 -12.440 1.00 23.41 C ATOM 235 O LYS A 15 8.513 -11.471 -13.182 1.00 3.31 O ATOM 236 CB LYS A 15 9.683 -14.520 -13.001 1.00 22.05 C ATOM 237 CG LYS A 15 8.494 -15.454 -12.856 1.00 60.24 C ATOM 238 CD LYS A 15 8.783 -16.822 -13.449 1.00 23.34 C ATOM 239 CE LYS A 15 7.508 -17.631 -13.633 1.00 43.34 C ATOM 240 NZ LYS A 15 6.633 -17.053 -14.689 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.358 -14.703 -10.551 1.00 52.10 H new ATOM 0 HA LYS A 15 10.516 -12.696 -12.226 1.00 21.15 H new ATOM 0 HB2 LYS A 15 9.746 -14.184 -14.036 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.597 -15.074 -12.789 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.240 -15.560 -11.801 1.00 60.24 H new ATOM 0 HG3 LYS A 15 7.626 -15.018 -13.350 1.00 60.24 H new ATOM 0 HD2 LYS A 15 9.283 -16.705 -14.411 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.468 -17.364 -12.798 1.00 23.34 H new ATOM 0 HE2 LYS A 15 7.764 -18.658 -13.895 1.00 43.34 H new ATOM 0 HE3 LYS A 15 6.963 -17.669 -12.690 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 5.956 -17.774 -15.012 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 6.114 -16.239 -14.302 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 7.217 -16.742 -15.492 1.00 34.55 H new ATOM 254 N ASN A 16 7.246 -12.821 -11.906 1.00 74.22 N ATOM 255 CA ASN A 16 6.011 -12.090 -12.168 1.00 2.32 C ATOM 256 C ASN A 16 5.969 -10.789 -11.371 1.00 61.22 C ATOM 257 O ASN A 16 5.287 -9.839 -11.751 1.00 13.45 O ATOM 258 CB ASN A 16 4.799 -12.955 -11.816 1.00 35.24 C ATOM 259 CG ASN A 16 4.608 -14.104 -12.787 1.00 64.51 C ATOM 260 OD1 ASN A 16 4.788 -15.269 -12.432 1.00 50.32 O ATOM 261 ND2 ASN A 16 4.241 -13.781 -14.022 1.00 31.22 N ATOM 0 H ASN A 16 7.137 -13.626 -11.290 1.00 74.22 H new ATOM 0 HA ASN A 16 5.980 -11.846 -13.230 1.00 2.32 H new ATOM 0 HB2 ASN A 16 4.919 -13.351 -10.808 1.00 35.24 H new ATOM 0 HB3 ASN A 16 3.903 -12.335 -11.810 1.00 35.24 H new ATOM 0 HD21 ASN A 16 4.097 -14.512 -14.719 1.00 31.22 H new ATOM 0 HD22 ASN A 16 4.103 -12.802 -14.273 1.00 31.22 H new ATOM 268 N ASP A 17 6.704 -10.756 -10.265 1.00 63.14 N ATOM 269 CA ASP A 17 6.753 -9.572 -9.415 1.00 4.05 C ATOM 270 C ASP A 17 8.102 -8.871 -9.537 1.00 14.43 C ATOM 271 O ASP A 17 8.598 -8.286 -8.573 1.00 10.22 O ATOM 272 CB ASP A 17 6.491 -9.954 -7.957 1.00 62.44 C ATOM 273 CG ASP A 17 5.625 -8.937 -7.239 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.575 -8.552 -7.796 1.00 64.23 O ATOM 275 OD2 ASP A 17 5.997 -8.527 -6.119 1.00 23.40 O1- ATOM 0 H ASP A 17 7.274 -11.535 -9.936 1.00 63.14 H new ATOM 0 HA ASP A 17 5.976 -8.884 -9.747 1.00 4.05 H new ATOM 0 HB2 ASP A 17 6.006 -10.930 -7.921 1.00 62.44 H new ATOM 0 HB3 ASP A 17 7.442 -10.051 -7.433 1.00 62.44 H new ATOM 280 N CYS A 18 8.690 -8.935 -10.726 1.00 22.14 N ATOM 281 CA CYS A 18 9.983 -8.308 -10.974 1.00 12.03 C ATOM 282 C CYS A 18 9.891 -6.793 -10.821 1.00 12.24 C ATOM 283 O CYS A 18 10.428 -6.220 -9.872 1.00 15.22 O ATOM 284 CB CYS A 18 10.483 -8.660 -12.376 1.00 65.22 C ATOM 285 SG CYS A 18 11.568 -10.122 -12.433 1.00 64.10 S ATOM 0 H CYS A 18 8.292 -9.415 -11.533 1.00 22.14 H new ATOM 0 HA CYS A 18 10.690 -8.688 -10.237 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.624 -8.833 -13.024 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.022 -7.805 -12.783 1.00 65.22 H new ATOM 290 N CYS A 19 9.207 -6.149 -11.761 1.00 52.34 N ATOM 291 CA CYS A 19 9.044 -4.701 -11.732 1.00 50.21 C ATOM 292 C CYS A 19 8.214 -4.223 -12.919 1.00 44.05 C ATOM 293 O CYS A 19 7.624 -5.027 -13.640 1.00 61.25 O ATOM 294 CB CYS A 19 10.411 -4.012 -11.741 1.00 45.44 C ATOM 295 SG CYS A 19 10.565 -2.650 -10.542 1.00 3.21 S ATOM 0 H CYS A 19 8.756 -6.608 -12.553 1.00 52.34 H new ATOM 0 HA CYS A 19 8.518 -4.438 -10.814 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.181 -4.754 -11.532 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.604 -3.625 -12.741 1.00 45.44 H new ATOM 300 N GLU A 20 8.172 -2.908 -13.116 1.00 0.41 N ATOM 301 CA GLU A 20 7.414 -2.324 -14.215 1.00 21.12 C ATOM 302 C GLU A 20 8.262 -2.245 -15.480 1.00 12.24 C ATOM 303 O GLU A 20 9.235 -1.493 -15.542 1.00 33.41 O ATOM 304 CB GLU A 20 6.913 -0.930 -13.835 1.00 34.22 C ATOM 305 CG GLU A 20 5.959 -0.326 -14.852 1.00 61.45 C ATOM 306 CD GLU A 20 5.057 0.733 -14.249 1.00 22.34 C ATOM 307 OE1 GLU A 20 5.263 1.087 -13.070 1.00 41.52 O ATOM 308 OE2 GLU A 20 4.144 1.206 -14.957 1.00 2.13 O1- ATOM 0 H GLU A 20 8.654 -2.228 -12.528 1.00 0.41 H new ATOM 0 HA GLU A 20 6.557 -2.968 -14.413 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.413 -0.984 -12.868 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.769 -0.266 -13.714 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.534 0.113 -15.667 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.346 -1.117 -15.284 1.00 61.45 H new ATOM 315 N GLY A 21 7.888 -3.026 -16.488 1.00 40.44 N ATOM 316 CA GLY A 21 8.625 -3.029 -17.738 1.00 52.55 C ATOM 317 C GLY A 21 9.824 -3.956 -17.701 1.00 53.30 C ATOM 318 O GLY A 21 10.757 -3.808 -18.492 1.00 0.22 O ATOM 0 H GLY A 21 7.087 -3.657 -16.461 1.00 40.44 H new ATOM 0 HA2 GLY A 21 7.961 -3.331 -18.547 1.00 52.55 H new ATOM 0 HA3 GLY A 21 8.959 -2.016 -17.962 1.00 52.55 H new ATOM 322 N LEU A 22 9.802 -4.913 -16.780 1.00 13.10 N ATOM 323 CA LEU A 22 10.896 -5.866 -16.641 1.00 41.51 C ATOM 324 C LEU A 22 10.403 -7.296 -16.845 1.00 64.04 C ATOM 325 O LEU A 22 9.226 -7.591 -16.642 1.00 31.15 O ATOM 326 CB LEU A 22 11.547 -5.730 -15.264 1.00 20.40 C ATOM 327 CG LEU A 22 12.259 -4.406 -14.985 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.954 -4.448 -13.633 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.257 -4.095 -16.091 1.00 73.44 C ATOM 0 H LEU A 22 9.038 -5.049 -16.118 1.00 13.10 H new ATOM 0 HA LEU A 22 11.637 -5.644 -17.409 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.778 -5.873 -14.505 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.267 -6.539 -15.144 1.00 20.40 H new ATOM 0 HG LEU A 22 11.513 -3.612 -14.962 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.455 -3.497 -13.452 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.216 -4.624 -12.850 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.689 -5.253 -13.627 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.755 -3.149 -15.877 1.00 73.44 H new ATOM 0 HD22 LEU A 22 13.999 -4.891 -16.146 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.733 -4.021 -17.044 1.00 73.44 H new ATOM 341 N GLU A 23 11.313 -8.179 -17.245 1.00 73.11 N ATOM 342 CA GLU A 23 10.969 -9.578 -17.474 1.00 72.50 C ATOM 343 C GLU A 23 12.118 -10.495 -17.064 1.00 73.15 C ATOM 344 O GLU A 23 13.230 -10.035 -16.801 1.00 53.25 O ATOM 345 CB GLU A 23 10.619 -9.806 -18.945 1.00 42.13 C ATOM 346 CG GLU A 23 11.820 -9.735 -19.874 1.00 54.44 C ATOM 347 CD GLU A 23 11.448 -9.962 -21.327 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.588 -10.829 -21.589 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 12.017 -9.274 -22.200 1.00 62.21 O ATOM 0 H GLU A 23 12.292 -7.951 -17.417 1.00 73.11 H new ATOM 0 HA GLU A 23 10.100 -9.817 -16.861 1.00 72.50 H new ATOM 0 HB2 GLU A 23 10.146 -10.782 -19.050 1.00 42.13 H new ATOM 0 HB3 GLU A 23 9.886 -9.061 -19.255 1.00 42.13 H new ATOM 0 HG2 GLU A 23 12.296 -8.760 -19.773 1.00 54.44 H new ATOM 0 HG3 GLU A 23 12.554 -10.481 -19.570 1.00 54.44 H new ATOM 356 N CYS A 24 11.842 -11.793 -17.012 1.00 3.15 N ATOM 357 CA CYS A 24 12.850 -12.776 -16.634 1.00 43.32 C ATOM 358 C CYS A 24 13.732 -13.137 -17.827 1.00 13.33 C ATOM 359 O CYS A 24 13.246 -13.289 -18.948 1.00 71.04 O ATOM 360 CB CYS A 24 12.183 -14.036 -16.080 1.00 63.05 C ATOM 361 SG CYS A 24 13.112 -14.839 -14.736 1.00 51.21 S ATOM 0 H CYS A 24 10.927 -12.189 -17.227 1.00 3.15 H new ATOM 0 HA CYS A 24 13.478 -12.335 -15.860 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.189 -13.778 -15.716 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.049 -14.751 -16.892 1.00 63.05 H new ATOM 366 N TYR A 25 15.030 -13.271 -17.577 1.00 42.15 N ATOM 367 CA TYR A 25 15.980 -13.611 -18.629 1.00 43.13 C ATOM 368 C TYR A 25 16.351 -15.090 -18.570 1.00 24.34 C ATOM 369 O TYR A 25 15.984 -15.797 -17.632 1.00 2.23 O ATOM 370 CB TYR A 25 17.239 -12.752 -18.504 1.00 24.23 C ATOM 371 CG TYR A 25 17.932 -12.499 -19.824 1.00 72.44 C ATOM 372 CD1 TYR A 25 17.255 -11.906 -20.884 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.262 -12.853 -20.014 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.884 -11.672 -22.091 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.898 -12.623 -21.217 1.00 20.10 C ATOM 376 CZ TYR A 25 19.206 -12.032 -22.253 1.00 72.10 C ATOM 377 OH TYR A 25 19.836 -11.803 -23.455 1.00 42.01 O ATOM 0 H TYR A 25 15.448 -13.149 -16.655 1.00 42.15 H new ATOM 0 HA TYR A 25 15.507 -13.412 -19.590 1.00 43.13 H new ATOM 0 HB2 TYR A 25 16.973 -11.796 -18.053 1.00 24.23 H new ATOM 0 HB3 TYR A 25 17.937 -13.241 -17.825 1.00 24.23 H new ATOM 0 HD1 TYR A 25 16.220 -11.624 -20.761 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.808 -13.317 -19.206 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.344 -11.210 -22.904 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.933 -12.905 -21.346 1.00 20.10 H new ATOM 0 HH TYR A 25 20.764 -12.114 -23.402 1.00 42.01 H new ATOM 387 N LYS A 26 17.082 -15.550 -19.580 1.00 24.35 N ATOM 388 CA LYS A 26 17.506 -16.943 -19.645 1.00 34.53 C ATOM 389 C LYS A 26 18.996 -17.044 -19.957 1.00 64.11 C ATOM 390 O LYS A 26 19.460 -16.549 -20.984 1.00 12.35 O ATOM 391 CB LYS A 26 16.700 -17.694 -20.707 1.00 44.31 C ATOM 392 CG LYS A 26 15.359 -18.203 -20.207 1.00 35.50 C ATOM 393 CD LYS A 26 14.265 -17.165 -20.394 1.00 15.23 C ATOM 394 CE LYS A 26 12.920 -17.678 -19.901 1.00 24.30 C ATOM 395 NZ LYS A 26 12.756 -17.480 -18.433 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.393 -14.978 -20.365 1.00 24.35 H new ATOM 0 HA LYS A 26 17.325 -17.398 -18.671 1.00 34.53 H new ATOM 0 HB2 LYS A 26 16.534 -17.034 -21.559 1.00 44.31 H new ATOM 0 HB3 LYS A 26 17.288 -18.538 -21.067 1.00 44.31 H new ATOM 0 HG2 LYS A 26 15.092 -19.115 -20.742 1.00 35.50 H new ATOM 0 HG3 LYS A 26 15.438 -18.464 -19.152 1.00 35.50 H new ATOM 0 HD2 LYS A 26 14.529 -16.255 -19.854 1.00 15.23 H new ATOM 0 HD3 LYS A 26 14.190 -16.900 -21.449 1.00 15.23 H new ATOM 0 HE2 LYS A 26 12.118 -17.162 -20.429 1.00 24.30 H new ATOM 0 HE3 LYS A 26 12.826 -18.738 -20.137 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 11.828 -17.842 -18.135 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 13.506 -17.993 -17.928 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 12.820 -16.466 -18.210 1.00 45.14 H new ATOM 409 N ARG A 27 19.740 -17.690 -19.065 1.00 13.42 N ATOM 410 CA ARG A 27 21.177 -17.857 -19.245 1.00 2.22 C ATOM 411 C ARG A 27 21.539 -19.331 -19.391 1.00 13.11 C ATOM 412 O ARG A 27 20.727 -20.212 -19.105 1.00 42.10 O ATOM 413 CB ARG A 27 21.934 -17.248 -18.064 1.00 75.21 C ATOM 414 CG ARG A 27 21.953 -15.729 -18.071 1.00 55.10 C ATOM 415 CD ARG A 27 23.293 -15.186 -17.598 1.00 52.24 C ATOM 416 NE ARG A 27 23.463 -13.776 -17.938 1.00 31.33 N ATOM 417 CZ ARG A 27 24.463 -13.026 -17.487 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.378 -13.550 -16.684 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 24.549 -11.750 -17.841 1.00 63.22 N ATOM 0 H ARG A 27 19.371 -18.106 -18.210 1.00 13.42 H new ATOM 0 HA ARG A 27 21.466 -17.338 -20.159 1.00 2.22 H new ATOM 0 HB2 ARG A 27 21.479 -17.593 -17.135 1.00 75.21 H new ATOM 0 HB3 ARG A 27 22.960 -17.616 -18.073 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.747 -15.366 -19.078 1.00 55.10 H new ATOM 0 HG3 ARG A 27 21.158 -15.351 -17.427 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.374 -15.311 -16.518 1.00 52.24 H new ATOM 0 HD3 ARG A 27 24.099 -15.767 -18.047 1.00 52.24 H new ATOM 0 HE ARG A 27 22.776 -13.343 -18.556 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.315 -14.531 -16.411 1.00 21.44 H new ATOM 0 HH12 ARG A 27 26.145 -12.972 -16.339 1.00 21.44 H new ATOM 0 HH21 ARG A 27 23.847 -11.344 -18.460 1.00 63.22 H new ATOM 0 HH22 ARG A 27 25.317 -11.175 -17.494 1.00 63.22 H new ATOM 433 N ARG A 28 22.763 -19.594 -19.837 1.00 43.11 N ATOM 434 CA ARG A 28 23.233 -20.962 -20.022 1.00 2.52 C ATOM 435 C ARG A 28 23.529 -21.620 -18.678 1.00 22.11 C ATOM 436 O ARG A 28 22.819 -22.532 -18.251 1.00 62.24 O ATOM 437 CB ARG A 28 24.487 -20.979 -20.898 1.00 42.41 C ATOM 438 CG ARG A 28 24.244 -20.494 -22.318 1.00 2.52 C ATOM 439 CD ARG A 28 25.168 -21.187 -23.309 1.00 0.40 C ATOM 440 NE ARG A 28 24.584 -21.255 -24.645 1.00 0.25 N ATOM 441 CZ ARG A 28 23.646 -22.127 -24.994 1.00 3.54 C ATOM 442 NH1 ARG A 28 23.185 -23.000 -24.108 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 23.164 -22.128 -26.230 1.00 73.13 N ATOM 0 H ARG A 28 23.448 -18.877 -20.077 1.00 43.11 H new ATOM 0 HA ARG A 28 22.444 -21.527 -20.518 1.00 2.52 H new ATOM 0 HB2 ARG A 28 25.252 -20.355 -20.436 1.00 42.41 H new ATOM 0 HB3 ARG A 28 24.882 -21.994 -20.932 1.00 42.41 H new ATOM 0 HG2 ARG A 28 23.206 -20.680 -22.595 1.00 2.52 H new ATOM 0 HG3 ARG A 28 24.399 -19.416 -22.367 1.00 2.52 H new ATOM 0 HD2 ARG A 28 26.117 -20.653 -23.355 1.00 0.40 H new ATOM 0 HD3 ARG A 28 25.387 -22.195 -22.957 1.00 0.40 H new ATOM 0 HE ARG A 28 24.915 -20.596 -25.350 1.00 0.25 H new ATOM 0 HH11 ARG A 28 23.551 -23.002 -23.156 1.00 52.00 H new ATOM 0 HH12 ARG A 28 22.464 -23.669 -24.379 1.00 52.00 H new ATOM 0 HH21 ARG A 28 23.514 -21.458 -26.914 1.00 73.13 H new ATOM 0 HH22 ARG A 28 22.443 -22.799 -26.496 1.00 73.13 H new ATOM 457 N HIS A 29 24.584 -21.155 -18.016 1.00 34.43 N ATOM 458 CA HIS A 29 24.975 -21.700 -16.721 1.00 5.34 C ATOM 459 C HIS A 29 25.094 -20.590 -15.678 1.00 60.13 C ATOM 460 O HIS A 29 25.838 -20.717 -14.707 1.00 45.11 O ATOM 461 CB HIS A 29 26.303 -22.449 -16.838 1.00 0.11 C ATOM 462 CG HIS A 29 26.247 -23.622 -17.767 1.00 24.13 C ATOM 463 ND1 HIS A 29 27.323 -24.033 -18.525 1.00 73.30 N ATOM 464 CD2 HIS A 29 25.238 -24.477 -18.054 1.00 14.44 C ATOM 465 CE1 HIS A 29 26.977 -25.088 -19.241 1.00 50.01 C ATOM 466 NE2 HIS A 29 25.717 -25.377 -18.974 1.00 1.05 N ATOM 0 H HIS A 29 25.183 -20.402 -18.355 1.00 34.43 H new ATOM 0 HA HIS A 29 24.201 -22.397 -16.399 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.072 -21.758 -17.184 1.00 0.11 H new ATOM 0 HB3 HIS A 29 26.605 -22.793 -15.849 1.00 0.11 H new ATOM 0 HD2 HIS A 29 24.242 -24.456 -17.637 1.00 14.44 H new ATOM 0 HE1 HIS A 29 27.616 -25.623 -19.928 1.00 50.01 H new ATOM 0 HE2 HIS A 29 25.185 -26.145 -19.385 1.00 1.05 H new ATOM 474 N SER A 30 24.356 -19.506 -15.890 1.00 51.21 N ATOM 475 CA SER A 30 24.381 -18.373 -14.971 1.00 2.20 C ATOM 476 C SER A 30 22.980 -18.056 -14.461 1.00 21.10 C ATOM 477 O SER A 30 21.982 -18.435 -15.075 1.00 1.23 O ATOM 478 CB SER A 30 24.976 -17.144 -15.661 1.00 61.21 C ATOM 479 OG SER A 30 26.385 -17.110 -15.518 1.00 2.24 O ATOM 0 H SER A 30 23.733 -19.387 -16.689 1.00 51.21 H new ATOM 0 HA SER A 30 25.006 -18.641 -14.119 1.00 2.20 H new ATOM 0 HB2 SER A 30 24.715 -17.156 -16.719 1.00 61.21 H new ATOM 0 HB3 SER A 30 24.542 -16.239 -15.236 1.00 61.21 H new ATOM 0 HG SER A 30 26.741 -16.316 -15.969 1.00 2.24 H new ATOM 485 N PHE A 31 22.911 -17.356 -13.333 1.00 74.44 N ATOM 486 CA PHE A 31 21.632 -16.987 -12.738 1.00 15.34 C ATOM 487 C PHE A 31 20.972 -15.859 -13.525 1.00 41.21 C ATOM 488 O PHE A 31 21.611 -14.862 -13.855 1.00 41.32 O ATOM 489 CB PHE A 31 21.827 -16.561 -11.281 1.00 25.20 C ATOM 490 CG PHE A 31 22.525 -15.240 -11.131 1.00 42.32 C ATOM 491 CD1 PHE A 31 23.905 -15.156 -11.225 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.801 -14.082 -10.897 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.549 -13.941 -11.086 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.440 -12.864 -10.758 1.00 32.13 C ATOM 495 CZ PHE A 31 23.816 -12.794 -10.853 1.00 42.13 C ATOM 0 H PHE A 31 23.727 -17.033 -12.813 1.00 74.44 H new ATOM 0 HA PHE A 31 20.979 -17.859 -12.770 1.00 15.34 H new ATOM 0 HB2 PHE A 31 20.854 -16.506 -10.794 1.00 25.20 H new ATOM 0 HB3 PHE A 31 22.401 -17.327 -10.760 1.00 25.20 H new ATOM 0 HD1 PHE A 31 24.483 -16.049 -11.409 1.00 55.24 H new ATOM 0 HD2 PHE A 31 20.725 -14.132 -10.822 1.00 32.25 H new ATOM 0 HE1 PHE A 31 25.625 -13.889 -11.160 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.864 -11.969 -10.575 1.00 32.13 H new ATOM 0 HZ PHE A 31 24.318 -11.844 -10.745 1.00 42.13 H new ATOM 505 N GLU A 32 19.687 -16.027 -13.822 1.00 14.44 N ATOM 506 CA GLU A 32 18.940 -15.023 -14.571 1.00 22.14 C ATOM 507 C GLU A 32 18.309 -14.001 -13.631 1.00 51.44 C ATOM 508 O GLU A 32 17.961 -14.318 -12.494 1.00 63.24 O ATOM 509 CB GLU A 32 17.854 -15.691 -15.419 1.00 52.23 C ATOM 510 CG GLU A 32 16.819 -16.444 -14.599 1.00 22.11 C ATOM 511 CD GLU A 32 16.228 -17.622 -15.347 1.00 4.05 C ATOM 512 OE1 GLU A 32 16.953 -18.616 -15.559 1.00 42.42 O ATOM 513 OE2 GLU A 32 15.038 -17.551 -15.722 1.00 23.41 O1- ATOM 0 H GLU A 32 19.142 -16.847 -13.556 1.00 14.44 H new ATOM 0 HA GLU A 32 19.637 -14.504 -15.229 1.00 22.14 H new ATOM 0 HB2 GLU A 32 17.350 -14.930 -16.014 1.00 52.23 H new ATOM 0 HB3 GLU A 32 18.325 -16.382 -16.118 1.00 52.23 H new ATOM 0 HG2 GLU A 32 17.279 -16.798 -13.676 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.019 -15.761 -14.314 1.00 22.11 H new ATOM 520 N VAL A 33 18.164 -12.771 -14.116 1.00 62.34 N ATOM 521 CA VAL A 33 17.575 -11.700 -13.319 1.00 22.01 C ATOM 522 C VAL A 33 16.608 -10.866 -14.152 1.00 53.22 C ATOM 523 O VAL A 33 16.458 -11.084 -15.354 1.00 65.03 O ATOM 524 CB VAL A 33 18.658 -10.777 -12.732 1.00 32.31 C ATOM 525 CG1 VAL A 33 19.679 -11.585 -11.945 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.334 -9.978 -13.837 1.00 64.44 C ATOM 0 H VAL A 33 18.446 -12.492 -15.056 1.00 62.34 H new ATOM 0 HA VAL A 33 17.032 -12.174 -12.502 1.00 22.01 H new ATOM 0 HB VAL A 33 18.181 -10.075 -12.048 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.437 -10.916 -11.538 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.179 -12.107 -11.129 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.154 -12.312 -12.604 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.097 -9.331 -13.404 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.799 -10.661 -14.548 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.591 -9.369 -14.352 1.00 64.44 H new ATOM 536 N CYS A 34 15.953 -9.907 -13.505 1.00 44.23 N ATOM 537 CA CYS A 34 14.999 -9.039 -14.183 1.00 2.34 C ATOM 538 C CYS A 34 15.712 -8.105 -15.158 1.00 74.42 C ATOM 539 O CYS A 34 16.606 -7.351 -14.770 1.00 63.45 O ATOM 540 CB CYS A 34 14.207 -8.220 -13.162 1.00 12.11 C ATOM 541 SG CYS A 34 13.313 -9.227 -11.936 1.00 33.54 S ATOM 0 H CYS A 34 16.066 -9.712 -12.510 1.00 44.23 H new ATOM 0 HA CYS A 34 14.310 -9.668 -14.747 1.00 2.34 H new ATOM 0 HB2 CYS A 34 14.891 -7.552 -12.639 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.491 -7.592 -13.692 1.00 12.11 H new ATOM 546 N VAL A 35 15.311 -8.161 -16.423 1.00 52.22 N ATOM 547 CA VAL A 35 15.910 -7.319 -17.453 1.00 73.22 C ATOM 548 C VAL A 35 14.853 -6.475 -18.156 1.00 34.14 C ATOM 549 O VAL A 35 13.669 -6.813 -18.183 1.00 74.20 O ATOM 550 CB VAL A 35 16.657 -8.163 -18.501 1.00 22.11 C ATOM 551 CG1 VAL A 35 18.003 -8.620 -17.959 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.812 -9.355 -18.927 1.00 13.23 C ATOM 0 H VAL A 35 14.574 -8.780 -16.760 1.00 52.22 H new ATOM 0 HA VAL A 35 16.621 -6.662 -16.952 1.00 73.22 H new ATOM 0 HB VAL A 35 16.838 -7.543 -19.379 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.516 -9.215 -18.714 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.609 -7.749 -17.710 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.849 -9.223 -17.064 1.00 55.34 H new ATOM 0 HG21 VAL A 35 16.356 -9.940 -19.668 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.598 -9.978 -18.059 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.876 -9.001 -19.360 1.00 13.23 H new ATOM 562 N PRO A 36 15.288 -5.348 -18.738 1.00 14.42 N ATOM 563 CA PRO A 36 14.394 -4.431 -19.453 1.00 15.12 C ATOM 564 C PRO A 36 13.881 -5.025 -20.761 1.00 33.54 C ATOM 565 O PRO A 36 14.651 -5.572 -21.549 1.00 61.25 O ATOM 566 CB PRO A 36 15.282 -3.215 -19.730 1.00 24.35 C ATOM 567 CG PRO A 36 16.671 -3.754 -19.739 1.00 33.43 C ATOM 568 CD PRO A 36 16.685 -4.882 -18.743 1.00 44.32 C ATOM 0 HA PRO A 36 13.499 -4.200 -18.875 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.031 -2.751 -20.684 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.159 -2.452 -18.962 1.00 24.35 H new ATOM 0 HG2 PRO A 36 16.946 -4.108 -20.733 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.391 -2.983 -19.465 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.372 -5.674 -19.042 1.00 44.32 H new ATOM 0 HD3 PRO A 36 16.999 -4.543 -17.756 1.00 44.32 H new ATOM 576 N ILE A 37 12.576 -4.911 -20.983 1.00 43.04 N ATOM 577 CA ILE A 37 11.960 -5.436 -22.195 1.00 30.13 C ATOM 578 C ILE A 37 12.114 -4.459 -23.357 1.00 62.14 C ATOM 579 O ILE A 37 11.861 -3.261 -23.230 1.00 13.55 O ATOM 580 CB ILE A 37 10.463 -5.732 -21.984 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.277 -6.755 -20.861 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.836 -6.236 -23.275 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.086 -6.468 -19.975 1.00 30.21 C ATOM 0 H ILE A 37 11.925 -4.460 -20.340 1.00 43.04 H new ATOM 0 HA ILE A 37 12.476 -6.366 -22.433 1.00 30.13 H new ATOM 0 HB ILE A 37 9.962 -4.808 -21.696 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.164 -7.747 -21.299 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.178 -6.778 -20.248 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.778 -6.441 -23.110 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.942 -5.478 -24.051 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.338 -7.151 -23.590 1.00 52.54 H new ATOM 0 HD11 ILE A 37 9.015 -7.233 -19.202 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.207 -5.490 -19.509 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.176 -6.474 -20.575 1.00 30.21 H new ATOM 595 N PRO A 38 12.538 -4.982 -24.517 1.00 44.01 N ATOM 596 CA PRO A 38 12.733 -4.174 -25.725 1.00 45.20 C ATOM 597 C PRO A 38 11.414 -3.684 -26.314 1.00 54.33 C ATOM 598 O PRO A 38 10.450 -4.441 -26.415 1.00 60.25 O ATOM 599 CB PRO A 38 13.424 -5.140 -26.690 1.00 73.53 C ATOM 600 CG PRO A 38 13.006 -6.496 -26.233 1.00 4.32 C ATOM 601 CD PRO A 38 12.858 -6.402 -24.740 1.00 74.43 C ATOM 0 HA PRO A 38 13.307 -3.270 -25.522 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.118 -4.957 -27.720 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.508 -5.027 -26.655 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.067 -6.793 -26.700 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.749 -7.246 -26.505 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.066 -7.055 -24.373 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.774 -6.693 -24.226 1.00 74.43 H new ATOM 609 N GLY A 39 11.381 -2.413 -26.702 1.00 4.32 N ATOM 610 CA GLY A 39 10.176 -1.844 -27.276 1.00 65.10 C ATOM 611 C GLY A 39 9.065 -1.688 -26.257 1.00 13.00 C ATOM 612 O GLY A 39 7.925 -1.386 -26.611 1.00 24.44 O ATOM 0 H GLY A 39 12.167 -1.767 -26.629 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.408 -0.870 -27.708 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.830 -2.480 -28.091 1.00 65.10 H new ATOM 616 N PHE A 40 9.396 -1.897 -24.986 1.00 1.42 N ATOM 617 CA PHE A 40 8.417 -1.780 -23.912 1.00 63.23 C ATOM 618 C PHE A 40 7.854 -0.364 -23.841 1.00 75.24 C ATOM 619 O PHE A 40 8.558 0.611 -24.105 1.00 4.41 O ATOM 620 CB PHE A 40 9.052 -2.157 -22.572 1.00 21.42 C ATOM 621 CG PHE A 40 8.264 -1.687 -21.382 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.072 -2.302 -21.037 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.717 -0.629 -20.610 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.345 -1.872 -19.943 1.00 25.44 C ATOM 625 CE2 PHE A 40 7.995 -0.194 -19.515 1.00 1.00 C ATOM 626 CZ PHE A 40 6.808 -0.817 -19.181 1.00 62.30 C ATOM 0 H PHE A 40 10.335 -2.148 -24.676 1.00 1.42 H new ATOM 0 HA PHE A 40 7.598 -2.467 -24.124 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.159 -3.241 -22.522 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.056 -1.735 -22.523 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.706 -3.127 -21.630 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.645 -0.139 -20.867 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.417 -2.360 -19.684 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.358 0.632 -18.921 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.243 -0.479 -18.325 1.00 62.30 H new ATOM 636 N CYS A 41 6.578 -0.258 -23.484 1.00 41.12 N ATOM 637 CA CYS A 41 5.919 1.037 -23.378 1.00 52.51 C ATOM 638 C CYS A 41 4.765 0.980 -22.380 1.00 43.12 C ATOM 639 O CYS A 41 4.604 -0.002 -21.656 1.00 21.44 O ATOM 640 CB CYS A 41 5.401 1.482 -24.747 1.00 65.44 C ATOM 641 SG CYS A 41 4.081 0.424 -25.423 1.00 51.34 S ATOM 0 H CYS A 41 5.980 -1.054 -23.263 1.00 41.12 H new ATOM 0 HA CYS A 41 6.651 1.761 -23.020 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.029 2.503 -24.668 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.234 1.500 -25.450 1.00 65.44 H new ATOM 646 N LEU A 42 3.966 2.040 -22.347 1.00 12.45 N ATOM 647 CA LEU A 42 2.827 2.112 -21.439 1.00 22.41 C ATOM 648 C LEU A 42 1.544 2.430 -22.199 1.00 51.03 C ATOM 649 O LEU A 42 1.582 2.890 -23.340 1.00 23.33 O ATOM 650 CB LEU A 42 3.073 3.173 -20.364 1.00 3.12 C ATOM 651 CG LEU A 42 4.458 3.164 -19.716 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.625 4.364 -18.797 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.679 1.868 -18.950 1.00 64.35 C ATOM 0 H LEU A 42 4.086 2.862 -22.939 1.00 12.45 H new ATOM 0 HA LEU A 42 2.713 1.139 -20.961 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.908 4.155 -20.807 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.326 3.047 -19.580 1.00 3.12 H new ATOM 0 HG LEU A 42 5.208 3.229 -20.504 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.617 4.341 -18.345 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.510 5.282 -19.373 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.868 4.330 -18.013 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.670 1.879 -18.495 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.923 1.773 -18.171 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.603 1.023 -19.635 1.00 64.35 H new ATOM 665 N VAL A 43 0.405 2.183 -21.558 1.00 43.30 N ATOM 666 CA VAL A 43 -0.891 2.446 -22.172 1.00 31.01 C ATOM 667 C VAL A 43 -1.554 3.671 -21.552 1.00 54.02 C ATOM 668 O VAL A 43 -0.975 4.338 -20.695 1.00 1.44 O ATOM 669 CB VAL A 43 -1.834 1.237 -22.029 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.325 0.062 -22.849 1.00 24.03 C ATOM 671 CG2 VAL A 43 -1.987 0.851 -20.566 1.00 2.01 C ATOM 0 H VAL A 43 0.354 1.801 -20.614 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.709 2.632 -23.230 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.816 1.517 -22.411 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -2.004 -0.783 -22.735 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.273 0.347 -23.900 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.332 -0.222 -22.501 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.657 -0.005 -20.484 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.012 0.590 -20.155 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.402 1.691 -20.010 1.00 2.01 H new ATOM 681 N LYS A 44 -2.774 3.962 -21.992 1.00 2.34 N ATOM 682 CA LYS A 44 -3.519 5.107 -21.480 1.00 53.21 C ATOM 683 C LYS A 44 -4.134 4.791 -20.120 1.00 52.14 C ATOM 684 O LYS A 44 -4.802 5.633 -19.521 1.00 22.22 O ATOM 685 CB LYS A 44 -4.618 5.508 -22.467 1.00 61.32 C ATOM 686 CG LYS A 44 -5.734 4.484 -22.585 1.00 71.24 C ATOM 687 CD LYS A 44 -5.765 3.851 -23.966 1.00 71.12 C ATOM 688 CE LYS A 44 -7.140 3.289 -24.290 1.00 11.52 C ATOM 689 NZ LYS A 44 -8.096 4.358 -24.691 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.268 3.421 -22.702 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.824 5.938 -21.361 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -5.043 6.462 -22.156 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.173 5.663 -23.450 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.599 3.708 -21.831 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.692 4.963 -22.382 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.489 4.594 -24.714 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -5.023 3.054 -24.019 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.053 2.559 -25.095 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.530 2.760 -23.420 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -9.067 4.052 -24.481 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -7.885 5.228 -24.162 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -8.004 4.542 -25.711 1.00 43.31 H new ATOM 703 N TRP A 45 -3.901 3.576 -19.638 1.00 61.52 N ATOM 704 CA TRP A 45 -4.430 3.151 -18.347 1.00 74.50 C ATOM 705 C TRP A 45 -3.306 2.716 -17.414 1.00 42.02 C ATOM 706 O TRP A 45 -3.546 2.060 -16.400 1.00 73.52 O ATOM 707 CB TRP A 45 -5.427 2.006 -18.533 1.00 42.20 C ATOM 708 CG TRP A 45 -6.643 2.398 -19.316 1.00 43.15 C ATOM 709 CD1 TRP A 45 -7.020 1.923 -20.540 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.640 3.350 -18.929 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.191 2.522 -20.937 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.593 3.400 -19.966 1.00 25.41 C ATOM 713 CE3 TRP A 45 -7.824 4.163 -17.807 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.709 4.231 -19.912 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -8.931 4.988 -17.755 1.00 34.23 C ATOM 716 CH2 TRP A 45 -9.862 5.016 -18.801 1.00 24.53 C ATOM 0 H TRP A 45 -3.349 2.867 -20.122 1.00 61.52 H new ATOM 0 HA TRP A 45 -4.943 4.000 -17.896 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.929 1.179 -19.039 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.736 1.641 -17.554 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.477 1.185 -21.112 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.681 2.342 -21.813 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.113 4.147 -16.994 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.428 4.255 -20.718 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.081 5.622 -16.893 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.718 5.670 -18.730 1.00 24.53 H new ATOM 727 N LYS A 46 -2.077 3.084 -17.762 1.00 42.21 N ATOM 728 CA LYS A 46 -0.915 2.734 -16.955 1.00 51.21 C ATOM 729 C LYS A 46 -0.288 3.977 -16.334 1.00 0.41 C ATOM 730 O LYS A 46 -0.287 5.050 -16.939 1.00 73.52 O ATOM 731 CB LYS A 46 0.121 1.999 -17.808 1.00 62.45 C ATOM 732 CG LYS A 46 -0.160 0.514 -17.963 1.00 61.44 C ATOM 733 CD LYS A 46 0.754 -0.321 -17.082 1.00 44.12 C ATOM 734 CE LYS A 46 1.236 -1.570 -17.804 1.00 21.31 C ATOM 735 NZ LYS A 46 1.870 -2.542 -16.871 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.861 3.625 -18.599 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.247 2.077 -16.151 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.157 2.458 -18.796 1.00 62.45 H new ATOM 0 HB3 LYS A 46 1.106 2.129 -17.360 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.200 0.311 -17.706 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.027 0.224 -19.005 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.612 0.277 -16.776 1.00 44.12 H new ATOM 0 HD3 LYS A 46 0.224 -0.606 -16.173 1.00 44.12 H new ATOM 0 HE2 LYS A 46 0.394 -2.046 -18.307 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.952 -1.289 -18.577 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 2.185 -3.379 -17.402 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.689 -2.097 -16.410 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 1.180 -2.830 -16.148 1.00 41.31 H new ATOM 749 N GLN A 47 0.244 3.827 -15.126 1.00 64.53 N ATOM 750 CA GLN A 47 0.876 4.939 -14.425 1.00 74.13 C ATOM 751 C GLN A 47 1.951 5.588 -15.290 1.00 13.14 C ATOM 752 O GLN A 47 2.666 4.906 -16.025 1.00 23.10 O ATOM 753 CB GLN A 47 1.485 4.459 -13.107 1.00 24.11 C ATOM 754 CG GLN A 47 0.636 4.783 -11.889 1.00 62.21 C ATOM 755 CD GLN A 47 0.705 3.706 -10.824 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.708 3.002 -10.702 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.362 3.573 -10.046 1.00 45.00 N ATOM 0 H GLN A 47 0.250 2.946 -14.612 1.00 64.53 H new ATOM 0 HA GLN A 47 0.109 5.684 -14.212 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.635 3.381 -13.158 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.469 4.913 -12.985 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.966 5.731 -11.463 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.401 4.916 -12.199 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.171 4.178 -10.183 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.373 2.865 -9.311 1.00 45.00 H new ATOM 766 N CYS A 48 2.059 6.909 -15.198 1.00 31.24 N ATOM 767 CA CYS A 48 3.046 7.651 -15.973 1.00 22.31 C ATOM 768 C CYS A 48 4.176 8.153 -15.076 1.00 55.30 C ATOM 769 O CYS A 48 5.268 8.462 -15.551 1.00 50.32 O ATOM 770 CB CYS A 48 2.384 8.832 -16.685 1.00 73.10 C ATOM 771 SG CYS A 48 2.049 10.259 -15.605 1.00 25.31 S ATOM 0 H CYS A 48 1.475 7.488 -14.594 1.00 31.24 H new ATOM 0 HA CYS A 48 3.468 6.976 -16.718 1.00 22.31 H new ATOM 0 HB2 CYS A 48 3.026 9.154 -17.505 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.446 8.496 -17.127 1.00 73.10 H new ATOM 776 N ASP A 49 3.903 8.231 -13.779 1.00 45.13 N ATOM 777 CA ASP A 49 4.895 8.693 -12.816 1.00 34.44 C ATOM 778 C ASP A 49 6.211 7.942 -12.988 1.00 31.03 C ATOM 779 O ASP A 49 6.270 6.726 -12.812 1.00 25.13 O ATOM 780 CB ASP A 49 4.374 8.515 -11.388 1.00 20.02 C ATOM 781 CG ASP A 49 5.147 9.345 -10.382 1.00 23.14 C ATOM 782 OD1 ASP A 49 6.339 9.620 -10.630 1.00 41.44 O ATOM 783 OD2 ASP A 49 4.559 9.718 -9.346 1.00 10.54 O1- ATOM 0 H ASP A 49 3.003 7.980 -13.370 1.00 45.13 H new ATOM 0 HA ASP A 49 5.076 9.752 -12.999 1.00 34.44 H new ATOM 0 HB2 ASP A 49 3.321 8.793 -11.351 1.00 20.02 H new ATOM 0 HB3 ASP A 49 4.436 7.463 -11.110 1.00 20.02 H new ATOM 788 N GLY A 50 7.265 8.675 -13.334 1.00 64.44 N ATOM 789 CA GLY A 50 8.566 8.061 -13.525 1.00 42.12 C ATOM 790 C GLY A 50 8.785 7.600 -14.953 1.00 40.31 C ATOM 791 O GLY A 50 9.911 7.610 -15.450 1.00 15.21 O ATOM 0 H GLY A 50 7.241 9.683 -13.485 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.344 8.774 -13.253 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.665 7.209 -12.852 1.00 42.12 H new ATOM 795 N ARG A 51 7.707 7.193 -15.614 1.00 1.11 N ATOM 796 CA ARG A 51 7.787 6.724 -16.991 1.00 3.05 C ATOM 797 C ARG A 51 7.089 7.695 -17.938 1.00 2.25 C ATOM 798 O ARG A 51 6.459 7.283 -18.912 1.00 3.34 O ATOM 799 CB ARG A 51 7.160 5.334 -17.117 1.00 51.11 C ATOM 800 CG ARG A 51 7.829 4.283 -16.246 1.00 20.31 C ATOM 801 CD ARG A 51 9.324 4.205 -16.516 1.00 11.03 C ATOM 802 NE ARG A 51 9.946 3.075 -15.830 1.00 71.21 N ATOM 803 CZ ARG A 51 11.211 2.714 -16.008 1.00 71.51 C ATOM 804 NH1 ARG A 51 11.986 3.391 -16.844 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 11.705 1.674 -15.347 1.00 71.12 N ATOM 0 H ARG A 51 6.767 7.179 -15.218 1.00 1.11 H new ATOM 0 HA ARG A 51 8.840 6.667 -17.267 1.00 3.05 H new ATOM 0 HB2 ARG A 51 6.105 5.395 -16.852 1.00 51.11 H new ATOM 0 HB3 ARG A 51 7.209 5.016 -18.158 1.00 51.11 H new ATOM 0 HG2 ARG A 51 7.660 4.518 -15.195 1.00 20.31 H new ATOM 0 HG3 ARG A 51 7.373 3.311 -16.432 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.494 4.116 -17.589 1.00 11.03 H new ATOM 0 HD3 ARG A 51 9.799 5.131 -16.193 1.00 11.03 H new ATOM 0 HE ARG A 51 9.377 2.534 -15.179 1.00 71.21 H new ATOM 0 HH11 ARG A 51 11.611 4.192 -17.352 1.00 5.32 H new ATOM 0 HH12 ARG A 51 12.958 3.111 -16.979 1.00 5.32 H new ATOM 0 HH21 ARG A 51 11.112 1.152 -14.702 1.00 71.12 H new ATOM 0 HH22 ARG A 51 12.677 1.397 -15.484 1.00 71.12 H new ATOM 819 N GLU A 52 7.205 8.987 -17.645 1.00 24.42 N ATOM 820 CA GLU A 52 6.584 10.015 -18.469 1.00 31.15 C ATOM 821 C GLU A 52 7.166 10.009 -19.879 1.00 45.14 C ATOM 822 O GLU A 52 6.583 10.572 -20.806 1.00 54.45 O ATOM 823 CB GLU A 52 6.774 11.395 -17.834 1.00 70.10 C ATOM 824 CG GLU A 52 8.220 11.861 -17.814 1.00 13.21 C ATOM 825 CD GLU A 52 8.443 13.032 -16.877 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.557 13.908 -16.803 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.503 13.072 -16.219 1.00 51.44 O1- ATOM 0 H GLU A 52 7.723 9.345 -16.843 1.00 24.42 H new ATOM 0 HA GLU A 52 5.518 9.796 -18.533 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.174 12.123 -18.380 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.394 11.371 -16.812 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.861 11.032 -17.513 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.520 12.145 -18.823 1.00 13.21 H new ATOM 834 N ARG A 53 8.320 9.367 -20.034 1.00 4.13 N ATOM 835 CA ARG A 53 8.983 9.288 -21.329 1.00 53.25 C ATOM 836 C ARG A 53 9.162 7.835 -21.759 1.00 61.40 C ATOM 837 O ARG A 53 10.030 7.521 -22.576 1.00 72.20 O ATOM 838 CB ARG A 53 10.343 9.986 -21.274 1.00 72.43 C ATOM 839 CG ARG A 53 10.921 10.084 -19.871 1.00 65.33 C ATOM 840 CD ARG A 53 12.433 10.237 -19.900 1.00 3.24 C ATOM 841 NE ARG A 53 13.098 9.016 -20.350 1.00 34.41 N ATOM 842 CZ ARG A 53 14.410 8.824 -20.274 1.00 52.53 C ATOM 843 NH1 ARG A 53 15.193 9.766 -19.770 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 14.940 7.686 -20.705 1.00 14.35 N ATOM 0 H ARG A 53 8.815 8.894 -19.278 1.00 4.13 H new ATOM 0 HA ARG A 53 8.354 9.792 -22.063 1.00 53.25 H new ATOM 0 HB2 ARG A 53 11.045 9.447 -21.910 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.244 10.989 -21.688 1.00 72.43 H new ATOM 0 HG2 ARG A 53 10.478 10.935 -19.353 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.655 9.192 -19.304 1.00 65.33 H new ATOM 0 HD2 ARG A 53 12.701 11.061 -20.561 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.790 10.498 -18.904 1.00 3.24 H new ATOM 0 HE ARG A 53 12.523 8.271 -20.744 1.00 34.41 H new ATOM 0 HH11 ARG A 53 14.789 10.642 -19.439 1.00 75.13 H new ATOM 0 HH12 ARG A 53 16.200 9.615 -19.713 1.00 75.13 H new ATOM 0 HH21 ARG A 53 14.340 6.959 -21.095 1.00 14.35 H new ATOM 0 HH22 ARG A 53 15.948 7.538 -20.647 1.00 14.35 H new ATOM 858 N ASP A 54 8.338 6.953 -21.207 1.00 54.44 N ATOM 859 CA ASP A 54 8.405 5.534 -21.533 1.00 31.21 C ATOM 860 C ASP A 54 7.114 5.068 -22.201 1.00 61.13 C ATOM 861 O ASP A 54 7.092 4.048 -22.890 1.00 60.01 O ATOM 862 CB ASP A 54 8.666 4.709 -20.272 1.00 61.24 C ATOM 863 CG ASP A 54 9.695 3.619 -20.497 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.858 3.185 -21.656 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.338 3.198 -19.512 1.00 42.13 O ATOM 0 H ASP A 54 7.614 7.196 -20.530 1.00 54.44 H new ATOM 0 HA ASP A 54 9.229 5.387 -22.231 1.00 31.21 H new ATOM 0 HB2 ASP A 54 9.008 5.368 -19.474 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.732 4.259 -19.936 1.00 61.24 H new ATOM 870 N CYS A 55 6.041 5.822 -21.991 1.00 51.44 N ATOM 871 CA CYS A 55 4.746 5.487 -22.571 1.00 52.31 C ATOM 872 C CYS A 55 4.869 5.233 -24.070 1.00 63.35 C ATOM 873 O CYS A 55 5.889 5.551 -24.683 1.00 61.14 O ATOM 874 CB CYS A 55 3.742 6.614 -22.315 1.00 15.01 C ATOM 875 SG CYS A 55 3.556 7.059 -20.557 1.00 50.34 S ATOM 0 H CYS A 55 6.042 6.669 -21.423 1.00 51.44 H new ATOM 0 HA CYS A 55 4.389 4.574 -22.094 1.00 52.31 H new ATOM 0 HB2 CYS A 55 4.054 7.498 -22.871 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.770 6.317 -22.708 1.00 15.01 H new ATOM 880 N CYS A 56 3.824 4.659 -24.656 1.00 32.14 N ATOM 881 CA CYS A 56 3.815 4.362 -26.083 1.00 3.14 C ATOM 882 C CYS A 56 3.736 5.645 -26.905 1.00 52.12 C ATOM 883 O CYS A 56 3.701 6.745 -26.356 1.00 1.22 O ATOM 884 CB CYS A 56 2.635 3.449 -26.427 1.00 72.45 C ATOM 885 SG CYS A 56 3.069 1.683 -26.532 1.00 3.31 S ATOM 0 H CYS A 56 2.972 4.390 -24.164 1.00 32.14 H new ATOM 0 HA CYS A 56 4.746 3.851 -26.329 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.858 3.577 -25.673 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.210 3.765 -27.380 1.00 72.45 H new ATOM 890 N ALA A 57 3.709 5.493 -28.226 1.00 24.11 N ATOM 891 CA ALA A 57 3.633 6.639 -29.124 1.00 42.23 C ATOM 892 C ALA A 57 2.265 7.309 -29.045 1.00 72.42 C ATOM 893 O ALA A 57 1.233 6.639 -29.071 1.00 32.44 O ATOM 894 CB ALA A 57 3.931 6.210 -30.553 1.00 3.21 C ATOM 0 H ALA A 57 3.739 4.589 -28.697 1.00 24.11 H new ATOM 0 HA ALA A 57 4.383 7.365 -28.810 1.00 42.23 H new ATOM 0 HB1 ALA A 57 3.871 7.076 -31.213 1.00 3.21 H new ATOM 0 HB2 ALA A 57 4.933 5.784 -30.604 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.203 5.462 -30.868 1.00 3.21 H new ATOM 900 N GLY A 58 2.264 8.635 -28.948 1.00 45.51 N ATOM 901 CA GLY A 58 1.017 9.372 -28.866 1.00 33.35 C ATOM 902 C GLY A 58 0.552 9.567 -27.437 1.00 32.21 C ATOM 903 O GLY A 58 -0.305 10.408 -27.164 1.00 4.20 O ATOM 0 H GLY A 58 3.105 9.212 -28.925 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.142 10.345 -29.340 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.247 8.841 -29.426 1.00 33.35 H new ATOM 907 N LEU A 59 1.115 8.786 -26.521 1.00 62.12 N ATOM 908 CA LEU A 59 0.752 8.874 -25.111 1.00 12.44 C ATOM 909 C LEU A 59 1.477 10.034 -24.434 1.00 51.41 C ATOM 910 O LEU A 59 2.351 10.663 -25.028 1.00 13.31 O ATOM 911 CB LEU A 59 1.083 7.563 -24.395 1.00 0.22 C ATOM 912 CG LEU A 59 -0.074 6.891 -23.657 1.00 50.25 C ATOM 913 CD1 LEU A 59 -1.282 6.753 -24.572 1.00 1.55 C ATOM 914 CD2 LEU A 59 0.351 5.531 -23.124 1.00 50.20 C ATOM 0 H LEU A 59 1.825 8.084 -26.730 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.321 9.053 -25.048 1.00 12.44 H new ATOM 0 HB2 LEU A 59 1.476 6.860 -25.130 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.882 7.755 -23.679 1.00 0.22 H new ATOM 0 HG LEU A 59 -0.354 7.519 -22.811 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -2.096 6.272 -24.030 1.00 1.55 H new ATOM 0 HD12 LEU A 59 -1.601 7.741 -24.905 1.00 1.55 H new ATOM 0 HD13 LEU A 59 -1.015 6.147 -25.438 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -0.486 5.067 -22.601 1.00 50.20 H new ATOM 0 HD22 LEU A 59 0.658 4.895 -23.954 1.00 50.20 H new ATOM 0 HD23 LEU A 59 1.186 5.655 -22.434 1.00 50.20 H new ATOM 926 N GLU A 60 1.105 10.310 -23.188 1.00 13.01 N ATOM 927 CA GLU A 60 1.721 11.393 -22.430 1.00 5.33 C ATOM 928 C GLU A 60 1.389 11.276 -20.945 1.00 35.33 C ATOM 929 O GLU A 60 0.354 10.724 -20.571 1.00 50.25 O ATOM 930 CB GLU A 60 1.254 12.748 -22.964 1.00 50.33 C ATOM 931 CG GLU A 60 -0.182 13.083 -22.599 1.00 41.10 C ATOM 932 CD GLU A 60 -0.891 13.872 -23.683 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.199 14.438 -24.554 1.00 52.34 O ATOM 934 OE2 GLU A 60 -2.139 13.922 -23.659 1.00 2.21 O1- ATOM 0 H GLU A 60 0.381 9.799 -22.683 1.00 13.01 H new ATOM 0 HA GLU A 60 2.802 11.317 -22.549 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.910 13.528 -22.577 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.356 12.756 -24.049 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.730 12.160 -22.410 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.193 13.656 -21.672 1.00 41.10 H new ATOM 941 N CYS A 61 2.274 11.799 -20.104 1.00 32.21 N ATOM 942 CA CYS A 61 2.076 11.754 -18.659 1.00 32.23 C ATOM 943 C CYS A 61 0.861 12.580 -18.251 1.00 41.14 C ATOM 944 O CYS A 61 0.958 13.792 -18.056 1.00 25.31 O ATOM 945 CB CYS A 61 3.323 12.269 -17.937 1.00 74.11 C ATOM 946 SG CYS A 61 3.505 11.648 -16.234 1.00 3.45 S ATOM 0 H CYS A 61 3.136 12.259 -20.397 1.00 32.21 H new ATOM 0 HA CYS A 61 1.901 10.717 -18.373 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.205 11.987 -18.512 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.293 13.358 -17.914 1.00 74.11 H new ATOM 951 N TRP A 62 -0.282 11.916 -18.123 1.00 31.21 N ATOM 952 CA TRP A 62 -1.518 12.589 -17.736 1.00 62.54 C ATOM 953 C TRP A 62 -1.547 12.853 -16.235 1.00 11.34 C ATOM 954 O TRP A 62 -1.262 11.964 -15.433 1.00 63.25 O ATOM 955 CB TRP A 62 -2.729 11.748 -18.144 1.00 22.53 C ATOM 956 CG TRP A 62 -3.983 12.552 -18.303 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.096 13.913 -18.264 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.304 12.045 -18.527 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.407 14.282 -18.450 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.167 13.155 -18.614 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.841 10.763 -18.665 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.536 13.018 -18.831 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.199 10.628 -18.879 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.034 11.750 -18.961 1.00 43.24 C ATOM 0 H TRP A 62 -0.379 10.913 -18.281 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.559 13.547 -18.254 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.510 11.240 -19.083 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -2.894 10.974 -17.394 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.276 14.598 -18.110 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.757 15.240 -18.464 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.205 9.892 -18.605 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.181 13.882 -18.894 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.624 9.641 -18.985 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.092 11.611 -19.130 1.00 43.24 H new ATOM 975 N LYS A 63 -1.894 14.080 -15.862 1.00 23.40 N ATOM 976 CA LYS A 63 -1.963 14.462 -14.456 1.00 52.14 C ATOM 977 C LYS A 63 -3.409 14.504 -13.974 1.00 24.33 C ATOM 978 O LYS A 63 -4.118 15.486 -14.194 1.00 41.02 O ATOM 979 CB LYS A 63 -1.303 15.826 -14.244 1.00 44.12 C ATOM 980 CG LYS A 63 -0.658 15.984 -12.879 1.00 53.51 C ATOM 981 CD LYS A 63 -1.649 16.504 -11.850 1.00 4.40 C ATOM 982 CE LYS A 63 -1.976 17.972 -12.084 1.00 40.12 C ATOM 983 NZ LYS A 63 -2.766 18.549 -10.962 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.132 14.827 -16.514 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.427 13.712 -13.875 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.546 15.978 -15.014 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.052 16.607 -14.375 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.261 15.024 -12.550 1.00 53.51 H new ATOM 0 HG3 LYS A 63 0.186 16.670 -12.952 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -2.565 15.914 -11.895 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -1.236 16.377 -10.849 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -1.051 18.536 -12.204 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -2.536 18.076 -13.014 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -2.969 19.550 -11.159 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -3.660 18.028 -10.863 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -2.222 18.473 -10.079 1.00 71.35 H new ATOM 997 N ARG A 64 -3.840 13.434 -13.314 1.00 23.41 N ATOM 998 CA ARG A 64 -5.202 13.350 -12.801 1.00 20.52 C ATOM 999 C ARG A 64 -5.202 13.174 -11.285 1.00 15.01 C ATOM 1000 O ARG A 64 -4.485 12.330 -10.748 1.00 71.20 O ATOM 1001 CB ARG A 64 -5.948 12.188 -13.460 1.00 61.21 C ATOM 1002 CG ARG A 64 -6.851 12.614 -14.604 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.168 11.450 -15.529 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.522 10.942 -15.328 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.616 11.606 -15.683 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.516 12.799 -16.256 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -10.814 11.079 -15.467 1.00 55.42 N ATOM 0 H ARG A 64 -3.266 12.613 -13.122 1.00 23.41 H new ATOM 0 HA ARG A 64 -5.712 14.283 -13.042 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.222 11.465 -13.832 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.548 11.678 -12.706 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -7.778 13.024 -14.203 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.369 13.410 -15.172 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.051 11.768 -16.565 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.451 10.647 -15.359 1.00 21.45 H new ATOM 0 HE ARG A 64 -8.634 10.027 -14.891 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -8.597 13.208 -16.425 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.358 13.307 -16.528 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.896 10.162 -15.028 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.653 11.591 -15.740 1.00 55.42 H new ATOM 1021 N SER A 65 -6.009 13.978 -10.600 1.00 20.12 N ATOM 1022 CA SER A 65 -6.099 13.914 -9.147 1.00 63.33 C ATOM 1023 C SER A 65 -7.555 13.863 -8.694 1.00 1.01 C ATOM 1024 O SER A 65 -8.388 14.643 -9.154 1.00 23.41 O ATOM 1025 CB SER A 65 -5.400 15.122 -8.518 1.00 25.02 C ATOM 1026 OG SER A 65 -5.840 16.332 -9.111 1.00 51.35 O ATOM 0 H SER A 65 -6.610 14.682 -11.029 1.00 20.12 H new ATOM 0 HA SER A 65 -5.602 13.002 -8.817 1.00 63.33 H new ATOM 0 HB2 SER A 65 -5.600 15.145 -7.447 1.00 25.02 H new ATOM 0 HB3 SER A 65 -4.321 15.025 -8.639 1.00 25.02 H new ATOM 0 HG SER A 65 -6.796 16.267 -9.315 1.00 51.35 H new ATOM 1032 N GLY A 66 -7.855 12.937 -7.788 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.209 12.800 -7.287 1.00 32.50 C ATOM 1034 C GLY A 66 -9.864 11.508 -7.733 1.00 23.21 C ATOM 1035 O GLY A 66 -10.826 11.047 -7.119 1.00 21.34 O ATOM 0 H GLY A 66 -7.183 12.279 -7.392 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -9.196 12.840 -6.198 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -9.807 13.644 -7.630 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.344 10.923 -8.807 1.00 74.50 N ATOM 1040 CA ASN A 67 -9.885 9.676 -9.336 1.00 52.31 C ATOM 1041 C ASN A 67 -8.901 8.527 -9.137 1.00 13.21 C ATOM 1042 O ASN A 67 -9.301 7.388 -8.893 1.00 42.14 O ATOM 1043 CB ASN A 67 -10.214 9.829 -10.822 1.00 3.14 C ATOM 1044 CG ASN A 67 -8.991 9.664 -11.705 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -7.985 10.350 -11.525 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -9.073 8.749 -12.664 1.00 50.12 N ATOM 0 H ASN A 67 -8.549 11.292 -9.328 1.00 74.50 H new ATOM 0 HA ASN A 67 -10.800 9.445 -8.790 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -10.964 9.090 -11.103 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.654 10.811 -10.995 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -8.282 8.592 -13.288 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -9.927 8.203 -12.776 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.613 8.834 -9.242 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.571 7.828 -9.072 1.00 70.13 C ATOM 1055 C LYS A 68 -5.186 8.448 -9.232 1.00 24.21 C ATOM 1056 O LYS A 68 -5.053 9.661 -9.400 1.00 24.20 O ATOM 1057 CB LYS A 68 -6.754 6.697 -10.084 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.128 5.368 -9.450 1.00 42.15 C ATOM 1059 CD LYS A 68 -6.587 4.196 -10.251 1.00 51.10 C ATOM 1060 CE LYS A 68 -7.152 4.176 -11.663 1.00 54.14 C ATOM 1061 NZ LYS A 68 -8.637 4.072 -11.664 1.00 5.22 N1+ ATOM 0 H LYS A 68 -7.265 9.771 -9.444 1.00 13.24 H new ATOM 0 HA LYS A 68 -6.655 7.422 -8.064 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.528 6.980 -10.797 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -5.830 6.573 -10.649 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -6.737 5.326 -8.433 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.213 5.291 -9.378 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -5.499 4.255 -10.294 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -6.836 3.263 -9.745 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -6.851 5.083 -12.188 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -6.729 3.335 -12.212 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -8.969 3.858 -12.626 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -8.932 3.312 -11.018 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -9.048 4.974 -11.349 1.00 5.22 H new ATOM 1075 N SER A 69 -4.157 7.609 -9.181 1.00 71.50 N ATOM 1076 CA SER A 69 -2.782 8.075 -9.319 1.00 14.31 C ATOM 1077 C SER A 69 -2.535 8.635 -10.716 1.00 24.23 C ATOM 1078 O SER A 69 -3.414 8.594 -11.577 1.00 73.23 O ATOM 1079 CB SER A 69 -1.803 6.934 -9.034 1.00 24.24 C ATOM 1080 OG SER A 69 -1.627 6.750 -7.639 1.00 64.42 O ATOM 0 H SER A 69 -4.249 6.602 -9.045 1.00 71.50 H new ATOM 0 HA SER A 69 -2.621 8.872 -8.594 1.00 14.31 H new ATOM 0 HB2 SER A 69 -2.174 6.012 -9.482 1.00 24.24 H new ATOM 0 HB3 SER A 69 -0.842 7.150 -9.500 1.00 24.24 H new ATOM 0 HG SER A 69 -0.999 6.014 -7.483 1.00 64.42 H new ATOM 1086 N SER A 70 -1.333 9.158 -10.934 1.00 24.02 N ATOM 1087 CA SER A 70 -0.970 9.730 -12.225 1.00 70.11 C ATOM 1088 C SER A 70 -0.870 8.642 -13.291 1.00 12.53 C ATOM 1089 O SER A 70 -0.075 7.710 -13.170 1.00 34.55 O ATOM 1090 CB SER A 70 0.358 10.481 -12.119 1.00 35.12 C ATOM 1091 OG SER A 70 0.511 11.069 -10.840 1.00 4.53 O ATOM 0 H SER A 70 -0.593 9.197 -10.233 1.00 24.02 H new ATOM 0 HA SER A 70 -1.752 10.431 -12.518 1.00 70.11 H new ATOM 0 HB2 SER A 70 1.183 9.795 -12.308 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.404 11.254 -12.886 1.00 35.12 H new ATOM 0 HG SER A 70 1.369 11.542 -10.798 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.681 8.770 -14.336 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.684 7.801 -15.426 1.00 51.23 C ATOM 1099 C VAL A 71 -1.311 8.460 -16.749 1.00 35.12 C ATOM 1100 O VAL A 71 -1.087 9.669 -16.811 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.060 7.126 -15.572 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.298 6.147 -14.431 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.163 8.170 -15.628 1.00 25.23 C ATOM 0 H VAL A 71 -2.345 9.536 -14.451 1.00 24.14 H new ATOM 0 HA VAL A 71 -0.940 7.044 -15.178 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.073 6.567 -16.508 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.275 5.679 -14.551 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.524 5.379 -14.443 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.265 6.680 -13.481 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.128 7.674 -15.731 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.154 8.759 -14.711 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -3.999 8.827 -16.482 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.246 7.658 -17.805 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.900 8.162 -19.130 1.00 12.45 C ATOM 1115 C CYS A 72 -2.140 8.262 -20.015 1.00 40.11 C ATOM 1116 O CYS A 72 -3.126 7.558 -19.800 1.00 33.42 O ATOM 1117 CB CYS A 72 0.138 7.253 -19.788 1.00 45.13 C ATOM 1118 SG CYS A 72 1.774 8.026 -20.003 1.00 32.40 S ATOM 0 H CYS A 72 -1.428 6.655 -17.770 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.477 9.160 -19.013 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.250 6.352 -19.185 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.235 6.940 -20.763 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.080 9.140 -21.009 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.195 9.331 -21.928 1.00 74.50 C ATOM 1125 C ALA A 73 -2.700 9.680 -23.328 1.00 24.12 C ATOM 1126 O ALA A 73 -1.608 10.218 -23.510 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.127 10.417 -21.410 1.00 34.14 C ATOM 0 H ALA A 73 -1.271 9.731 -21.199 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.747 8.393 -21.989 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.955 10.549 -22.107 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.516 10.127 -20.434 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.578 11.354 -21.318 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.521 9.366 -24.341 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.187 9.639 -25.743 1.00 3.31 C ATOM 1135 C PRO A 74 -3.200 11.129 -26.063 1.00 22.40 C ATOM 1136 O PRO A 74 -3.539 11.953 -25.214 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.292 8.915 -26.517 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.440 8.853 -25.570 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.838 8.724 -24.197 1.00 71.33 C ATOM 0 HA PRO A 74 -2.181 9.304 -25.995 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.557 9.455 -27.426 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.975 7.917 -26.820 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -6.055 9.750 -25.644 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -6.086 8.004 -25.794 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.447 9.222 -23.443 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.746 7.681 -23.895 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.828 11.468 -27.293 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.800 12.860 -27.725 1.00 21.04 C ATOM 1149 C ILE A 75 -4.170 13.512 -27.573 1.00 1.24 C ATOM 1150 O ILE A 75 -5.201 12.850 -27.696 1.00 71.12 O ATOM 1151 CB ILE A 75 -2.343 12.985 -29.191 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -3.120 12.006 -30.074 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.847 12.735 -29.304 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -3.117 12.381 -31.540 1.00 54.32 C ATOM 0 H ILE A 75 -2.542 10.798 -28.007 1.00 63.22 H new ATOM 0 HA ILE A 75 -2.084 13.375 -27.084 1.00 21.04 H new ATOM 0 HB ILE A 75 -2.548 13.999 -29.535 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.692 11.010 -29.961 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -4.151 11.952 -29.723 1.00 51.41 H new ATOM 0 HG21 ILE A 75 -0.540 12.827 -30.346 1.00 51.24 H new ATOM 0 HG22 ILE A 75 -0.309 13.467 -28.701 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.618 11.731 -28.946 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.686 11.643 -32.105 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -3.572 13.364 -31.665 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -2.091 12.407 -31.907 1.00 54.32 H new ATOM 1166 N THR A 76 -4.173 14.815 -27.307 1.00 52.02 N ATOM 1167 CA THR A 76 -5.416 15.556 -27.139 1.00 31.24 C ATOM 1168 C THR A 76 -5.142 17.020 -26.814 1.00 33.21 C ATOM 1169 O THR A 76 -3.994 17.421 -26.625 1.00 71.35 O ATOM 1170 CB THR A 76 -6.287 14.949 -26.023 1.00 2.31 C ATOM 1171 OG1 THR A 76 -7.355 15.843 -25.694 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.455 14.664 -24.782 1.00 61.00 C ATOM 0 H THR A 76 -3.329 15.378 -27.203 1.00 52.02 H new ATOM 0 HA THR A 76 -5.954 15.490 -28.085 1.00 31.24 H new ATOM 0 HB THR A 76 -6.701 14.009 -26.386 1.00 2.31 H new ATOM 0 HG1 THR A 76 -7.905 15.449 -24.985 1.00 24.25 H new ATOM 0 HG21 THR A 76 -6.092 14.236 -24.008 1.00 61.00 H new ATOM 0 HG22 THR A 76 -4.661 13.959 -25.030 1.00 61.00 H new ATOM 0 HG23 THR A 76 -5.015 15.592 -24.418 1.00 61.00 H new TER 1180 THR A 76