USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 43 LYS NZ :NH3+ 136:sc= 2.4 (180deg=0.125) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0.679 USER MOD Single : A 12 THR OG1 : rot -73:sc= -0.431! USER MOD Single : A 13 GLN : amide:sc= -0.0913 X(o=-0.091,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.0844 K(o=-0.084,f=-1.9) USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= -0.0539 (180deg=-1.15!) USER MOD Single : A 24 ASN : amide:sc= -0.821 K(o=-0.82,f=-3.7!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.504 K(o=-0.5,f=-1.1) USER MOD Single : A 33 THR OG1 : rot -101:sc= -6.08! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 12:sc= -11.6! USER MOD Single : A 42 MET CE :methyl -177:sc= 0 (180deg=-0.00733) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -110:sc= -2.76! USER MOD Single : A 58 TYR OH : rot 23:sc= 0.335 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 61 TYR OH : rot 180:sc= -5.97! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -122:sc= -13.1! (180deg=-19.6!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -3.2! C(o=-3.2!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.322 8.423 -6.242 1.00 1.09 N ATOM 11 CA GLU A 2 -8.337 9.473 -5.855 1.00 0.90 C ATOM 12 C GLU A 2 -6.990 8.834 -5.505 1.00 0.78 C ATOM 13 O GLU A 2 -6.926 7.706 -5.057 1.00 0.77 O ATOM 14 CB GLU A 2 -8.944 10.152 -4.626 1.00 1.06 C ATOM 15 CG GLU A 2 -10.425 10.439 -4.880 1.00 1.47 C ATOM 16 CD GLU A 2 -10.559 11.508 -5.966 1.00 2.11 C ATOM 17 OE1 GLU A 2 -9.540 12.046 -6.369 1.00 2.63 O ATOM 18 OE2 GLU A 2 -11.678 11.770 -6.377 1.00 2.72 O ATOM 0 HA GLU A 2 -8.151 10.181 -6.662 1.00 0.90 H new ATOM 0 HB2 GLU A 2 -8.832 9.512 -3.751 1.00 1.06 H new ATOM 0 HB3 GLU A 2 -8.414 11.080 -4.412 1.00 1.06 H new ATOM 0 HG2 GLU A 2 -10.935 9.527 -5.188 1.00 1.47 H new ATOM 0 HG3 GLU A 2 -10.904 10.777 -3.961 1.00 1.47 H new ATOM 25 N TRP A 3 -5.915 9.546 -5.707 1.00 0.92 N ATOM 26 CA TRP A 3 -4.574 8.977 -5.385 1.00 0.82 C ATOM 27 C TRP A 3 -3.820 9.907 -4.432 1.00 0.89 C ATOM 28 O TRP A 3 -4.088 11.090 -4.362 1.00 1.16 O ATOM 29 CB TRP A 3 -3.851 8.885 -6.729 1.00 0.89 C ATOM 30 CG TRP A 3 -3.953 10.196 -7.441 1.00 1.27 C ATOM 31 CD1 TRP A 3 -3.416 11.359 -7.007 1.00 2.03 C ATOM 32 CD2 TRP A 3 -4.620 10.499 -8.700 1.00 1.76 C ATOM 33 NE1 TRP A 3 -3.712 12.356 -7.918 1.00 2.26 N ATOM 34 CE2 TRP A 3 -4.453 11.875 -8.980 1.00 2.05 C ATOM 35 CE3 TRP A 3 -5.350 9.720 -9.617 1.00 2.66 C ATOM 36 CZ2 TRP A 3 -4.987 12.459 -10.128 1.00 2.66 C ATOM 37 CZ3 TRP A 3 -5.889 10.304 -10.775 1.00 3.53 C ATOM 38 CH2 TRP A 3 -5.709 11.671 -11.030 1.00 3.37 C ATOM 0 H TRP A 3 -5.906 10.495 -6.080 1.00 0.92 H new ATOM 0 HA TRP A 3 -4.644 8.007 -4.892 1.00 0.82 H new ATOM 0 HB2 TRP A 3 -2.804 8.624 -6.574 1.00 0.89 H new ATOM 0 HB3 TRP A 3 -4.290 8.094 -7.337 1.00 0.89 H new ATOM 0 HD1 TRP A 3 -2.849 11.488 -6.097 1.00 2.03 H new ATOM 0 HE1 TRP A 3 -3.419 13.328 -7.818 1.00 2.26 H new ATOM 0 HE3 TRP A 3 -5.497 8.667 -9.429 1.00 2.66 H new ATOM 0 HZ2 TRP A 3 -4.844 13.512 -10.319 1.00 2.66 H new ATOM 0 HZ3 TRP A 3 -6.446 9.696 -11.473 1.00 3.53 H new ATOM 0 HH2 TRP A 3 -6.127 12.115 -11.921 1.00 3.37 H new ATOM 49 N GLU A 4 -2.880 9.381 -3.695 1.00 0.75 N ATOM 50 CA GLU A 4 -2.111 10.237 -2.746 1.00 0.89 C ATOM 51 C GLU A 4 -0.864 9.493 -2.254 1.00 0.75 C ATOM 52 O GLU A 4 -0.938 8.367 -1.809 1.00 0.90 O ATOM 53 CB GLU A 4 -3.074 10.504 -1.588 1.00 1.09 C ATOM 54 CG GLU A 4 -3.207 9.246 -0.727 1.00 1.54 C ATOM 55 CD GLU A 4 -4.568 9.245 -0.029 1.00 1.93 C ATOM 56 OE1 GLU A 4 -5.532 9.655 -0.655 1.00 2.37 O ATOM 57 OE2 GLU A 4 -4.625 8.834 1.118 1.00 2.43 O ATOM 0 H GLU A 4 -2.611 8.397 -3.708 1.00 0.75 H new ATOM 0 HA GLU A 4 -1.764 11.162 -3.208 1.00 0.89 H new ATOM 0 HB2 GLU A 4 -2.709 11.334 -0.983 1.00 1.09 H new ATOM 0 HB3 GLU A 4 -4.050 10.797 -1.974 1.00 1.09 H new ATOM 0 HG2 GLU A 4 -3.104 8.356 -1.347 1.00 1.54 H new ATOM 0 HG3 GLU A 4 -2.407 9.213 0.013 1.00 1.54 H new ATOM 64 N ILE A 5 0.281 10.113 -2.336 1.00 0.66 N ATOM 65 CA ILE A 5 1.526 9.445 -1.882 1.00 0.55 C ATOM 66 C ILE A 5 1.596 9.428 -0.351 1.00 0.59 C ATOM 67 O ILE A 5 0.741 9.966 0.325 1.00 0.75 O ATOM 68 CB ILE A 5 2.646 10.300 -2.466 1.00 0.61 C ATOM 69 CG1 ILE A 5 2.736 11.620 -1.695 1.00 1.09 C ATOM 70 CG2 ILE A 5 2.359 10.590 -3.941 1.00 1.14 C ATOM 71 CD1 ILE A 5 3.794 12.516 -2.341 1.00 1.31 C ATOM 0 H ILE A 5 0.405 11.058 -2.700 1.00 0.66 H new ATOM 0 HA ILE A 5 1.587 8.406 -2.204 1.00 0.55 H new ATOM 0 HB ILE A 5 3.591 9.763 -2.381 1.00 0.61 H new ATOM 0 HG12 ILE A 5 1.768 12.122 -1.697 1.00 1.09 H new ATOM 0 HG13 ILE A 5 2.993 11.428 -0.653 1.00 1.09 H new ATOM 0 HG21 ILE A 5 3.161 11.201 -4.354 1.00 1.14 H new ATOM 0 HG22 ILE A 5 2.298 9.651 -4.491 1.00 1.14 H new ATOM 0 HG23 ILE A 5 1.413 11.125 -4.029 1.00 1.14 H new ATOM 0 HD11 ILE A 5 3.859 13.456 -1.793 1.00 1.31 H new ATOM 0 HD12 ILE A 5 4.761 12.014 -2.315 1.00 1.31 H new ATOM 0 HD13 ILE A 5 3.517 12.718 -3.376 1.00 1.31 H new ATOM 83 N ILE A 6 2.608 8.811 0.202 1.00 0.56 N ATOM 84 CA ILE A 6 2.725 8.759 1.696 1.00 0.68 C ATOM 85 C ILE A 6 3.912 9.612 2.156 1.00 0.76 C ATOM 86 O ILE A 6 4.393 10.459 1.430 1.00 1.00 O ATOM 87 CB ILE A 6 2.930 7.278 2.102 1.00 0.78 C ATOM 88 CG1 ILE A 6 3.358 6.401 0.903 1.00 1.35 C ATOM 89 CG2 ILE A 6 1.630 6.737 2.699 1.00 1.59 C ATOM 90 CD1 ILE A 6 2.183 6.189 -0.071 1.00 2.41 C ATOM 0 H ILE A 6 3.356 8.343 -0.310 1.00 0.56 H new ATOM 0 HA ILE A 6 1.825 9.155 2.167 1.00 0.68 H new ATOM 0 HB ILE A 6 3.733 7.238 2.838 1.00 0.78 H new ATOM 0 HG12 ILE A 6 4.189 6.874 0.379 1.00 1.35 H new ATOM 0 HG13 ILE A 6 3.716 5.436 1.263 1.00 1.35 H new ATOM 0 HG21 ILE A 6 1.768 5.695 2.987 1.00 1.59 H new ATOM 0 HG22 ILE A 6 1.361 7.324 3.578 1.00 1.59 H new ATOM 0 HG23 ILE A 6 0.833 6.807 1.959 1.00 1.59 H new ATOM 0 HD11 ILE A 6 2.510 5.569 -0.906 1.00 2.41 H new ATOM 0 HD12 ILE A 6 1.363 5.694 0.450 1.00 2.41 H new ATOM 0 HD13 ILE A 6 1.843 7.154 -0.447 1.00 2.41 H new ATOM 102 N ASP A 7 4.384 9.414 3.362 1.00 0.83 N ATOM 103 CA ASP A 7 5.529 10.242 3.848 1.00 1.18 C ATOM 104 C ASP A 7 6.560 9.393 4.600 1.00 1.02 C ATOM 105 O ASP A 7 6.975 9.735 5.689 1.00 1.65 O ATOM 106 CB ASP A 7 4.900 11.273 4.785 1.00 1.77 C ATOM 107 CG ASP A 7 5.497 12.652 4.500 1.00 1.65 C ATOM 108 OD1 ASP A 7 5.298 13.146 3.402 1.00 2.16 O ATOM 109 OD2 ASP A 7 6.141 13.192 5.385 1.00 1.91 O ATOM 0 H ASP A 7 4.031 8.723 4.024 1.00 0.83 H new ATOM 0 HA ASP A 7 6.067 10.703 3.020 1.00 1.18 H new ATOM 0 HB2 ASP A 7 3.819 11.297 4.644 1.00 1.77 H new ATOM 0 HB3 ASP A 7 5.080 10.994 5.823 1.00 1.77 H new ATOM 114 N ILE A 8 6.972 8.297 4.022 1.00 0.91 N ATOM 115 CA ILE A 8 7.984 7.415 4.679 1.00 0.90 C ATOM 116 C ILE A 8 7.702 7.320 6.174 1.00 0.84 C ATOM 117 O ILE A 8 8.592 7.380 6.999 1.00 1.01 O ATOM 118 CB ILE A 8 9.343 8.072 4.410 1.00 1.09 C ATOM 119 CG1 ILE A 8 10.459 7.118 4.842 1.00 1.52 C ATOM 120 CG2 ILE A 8 9.466 9.380 5.195 1.00 1.69 C ATOM 121 CD1 ILE A 8 11.818 7.775 4.596 1.00 1.53 C ATOM 0 H ILE A 8 6.648 7.970 3.112 1.00 0.91 H new ATOM 0 HA ILE A 8 7.958 6.397 4.290 1.00 0.90 H new ATOM 0 HB ILE A 8 9.427 8.288 3.345 1.00 1.09 H new ATOM 0 HG12 ILE A 8 10.350 6.869 5.897 1.00 1.52 H new ATOM 0 HG13 ILE A 8 10.389 6.184 4.285 1.00 1.52 H new ATOM 0 HG21 ILE A 8 10.436 9.835 4.994 1.00 1.69 H new ATOM 0 HG22 ILE A 8 8.674 10.064 4.889 1.00 1.69 H new ATOM 0 HG23 ILE A 8 9.376 9.174 6.262 1.00 1.69 H new ATOM 0 HD11 ILE A 8 12.612 7.095 4.904 1.00 1.53 H new ATOM 0 HD12 ILE A 8 11.926 8.002 3.535 1.00 1.53 H new ATOM 0 HD13 ILE A 8 11.886 8.697 5.173 1.00 1.53 H new ATOM 133 N GLY A 9 6.461 7.165 6.516 1.00 0.75 N ATOM 134 CA GLY A 9 6.091 7.059 7.956 1.00 0.86 C ATOM 135 C GLY A 9 5.128 5.882 8.191 1.00 0.75 C ATOM 136 O GLY A 9 5.443 4.956 8.921 1.00 0.73 O ATOM 0 H GLY A 9 5.680 7.106 5.862 1.00 0.75 H new ATOM 0 HA2 GLY A 9 6.990 6.924 8.557 1.00 0.86 H new ATOM 0 HA3 GLY A 9 5.624 7.987 8.285 1.00 0.86 H new ATOM 140 N PRO A 10 3.978 5.961 7.583 1.00 0.76 N ATOM 141 CA PRO A 10 2.953 4.917 7.757 1.00 0.77 C ATOM 142 C PRO A 10 3.162 3.771 6.771 1.00 0.66 C ATOM 143 O PRO A 10 3.357 2.637 7.163 1.00 0.67 O ATOM 144 CB PRO A 10 1.652 5.665 7.477 1.00 0.90 C ATOM 145 CG PRO A 10 2.028 6.835 6.611 1.00 0.89 C ATOM 146 CD PRO A 10 3.530 7.004 6.666 1.00 0.84 C ATOM 0 HA PRO A 10 2.973 4.451 8.742 1.00 0.77 H new ATOM 0 HB2 PRO A 10 0.932 5.021 6.972 1.00 0.90 H new ATOM 0 HB3 PRO A 10 1.186 5.999 8.404 1.00 0.90 H new ATOM 0 HG2 PRO A 10 1.702 6.668 5.584 1.00 0.89 H new ATOM 0 HG3 PRO A 10 1.531 7.740 6.959 1.00 0.89 H new ATOM 0 HD2 PRO A 10 3.980 6.887 5.680 1.00 0.84 H new ATOM 0 HD3 PRO A 10 3.806 7.995 7.026 1.00 0.84 H new ATOM 154 N PHE A 11 3.126 4.043 5.497 1.00 0.62 N ATOM 155 CA PHE A 11 3.328 2.944 4.517 1.00 0.59 C ATOM 156 C PHE A 11 4.614 2.194 4.857 1.00 0.53 C ATOM 157 O PHE A 11 4.708 0.996 4.682 1.00 0.57 O ATOM 158 CB PHE A 11 3.421 3.626 3.158 1.00 0.60 C ATOM 159 CG PHE A 11 2.027 3.836 2.620 1.00 0.75 C ATOM 160 CD1 PHE A 11 0.970 4.124 3.494 1.00 1.23 C ATOM 161 CD2 PHE A 11 1.793 3.741 1.247 1.00 1.09 C ATOM 162 CE1 PHE A 11 -0.320 4.319 2.990 1.00 1.46 C ATOM 163 CE2 PHE A 11 0.503 3.937 0.744 1.00 1.25 C ATOM 164 CZ PHE A 11 -0.554 4.227 1.614 1.00 1.25 C ATOM 0 H PHE A 11 2.967 4.968 5.096 1.00 0.62 H new ATOM 0 HA PHE A 11 2.521 2.212 4.528 1.00 0.59 H new ATOM 0 HB2 PHE A 11 3.937 4.582 3.250 1.00 0.60 H new ATOM 0 HB3 PHE A 11 4.003 3.015 2.468 1.00 0.60 H new ATOM 0 HD1 PHE A 11 1.151 4.195 4.556 1.00 1.23 H new ATOM 0 HD2 PHE A 11 2.607 3.516 0.574 1.00 1.09 H new ATOM 0 HE1 PHE A 11 -1.135 4.541 3.663 1.00 1.46 H new ATOM 0 HE2 PHE A 11 0.322 3.864 -0.318 1.00 1.25 H new ATOM 0 HZ PHE A 11 -1.549 4.380 1.223 1.00 1.25 H new ATOM 174 N THR A 12 5.594 2.882 5.380 1.00 0.51 N ATOM 175 CA THR A 12 6.843 2.189 5.769 1.00 0.52 C ATOM 176 C THR A 12 6.468 1.134 6.792 1.00 0.53 C ATOM 177 O THR A 12 6.687 -0.048 6.610 1.00 0.54 O ATOM 178 CB THR A 12 7.741 3.256 6.413 1.00 0.58 C ATOM 179 OG1 THR A 12 7.313 3.505 7.742 1.00 0.65 O ATOM 180 CG2 THR A 12 7.696 4.564 5.622 1.00 0.60 C ATOM 0 H THR A 12 5.579 3.887 5.551 1.00 0.51 H new ATOM 0 HA THR A 12 7.354 1.717 4.930 1.00 0.52 H new ATOM 0 HB THR A 12 8.764 2.880 6.412 1.00 0.58 H new ATOM 0 HG1 THR A 12 6.475 4.012 7.726 1.00 0.65 H new ATOM 0 HG21 THR A 12 8.341 5.301 6.101 1.00 0.60 H new ATOM 0 HG22 THR A 12 8.042 4.386 4.604 1.00 0.60 H new ATOM 0 HG23 THR A 12 6.673 4.939 5.597 1.00 0.60 H new ATOM 188 N GLN A 13 5.870 1.568 7.861 1.00 0.55 N ATOM 189 CA GLN A 13 5.432 0.606 8.909 1.00 0.59 C ATOM 190 C GLN A 13 4.315 -0.275 8.346 1.00 0.56 C ATOM 191 O GLN A 13 4.022 -1.339 8.857 1.00 0.60 O ATOM 192 CB GLN A 13 4.917 1.471 10.061 1.00 0.64 C ATOM 193 CG GLN A 13 5.650 1.093 11.350 1.00 1.23 C ATOM 194 CD GLN A 13 5.064 1.885 12.521 1.00 1.52 C ATOM 195 OE1 GLN A 13 4.727 1.320 13.543 1.00 1.97 O ATOM 196 NE2 GLN A 13 4.927 3.178 12.415 1.00 2.19 N ATOM 0 H GLN A 13 5.664 2.548 8.057 1.00 0.55 H new ATOM 0 HA GLN A 13 6.234 -0.054 9.240 1.00 0.59 H new ATOM 0 HB2 GLN A 13 5.075 2.526 9.836 1.00 0.64 H new ATOM 0 HB3 GLN A 13 3.844 1.328 10.185 1.00 0.64 H new ATOM 0 HG2 GLN A 13 5.553 0.023 11.536 1.00 1.23 H new ATOM 0 HG3 GLN A 13 6.715 1.304 11.251 1.00 1.23 H new ATOM 0 HE21 GLN A 13 5.210 3.652 11.557 1.00 2.19 H new ATOM 0 HE22 GLN A 13 4.537 3.715 13.190 1.00 2.19 H new ATOM 205 N ASN A 14 3.702 0.167 7.285 1.00 0.53 N ATOM 206 CA ASN A 14 2.607 -0.628 6.656 1.00 0.54 C ATOM 207 C ASN A 14 3.200 -1.763 5.833 1.00 0.49 C ATOM 208 O ASN A 14 3.005 -2.927 6.124 1.00 0.50 O ATOM 209 CB ASN A 14 1.864 0.360 5.756 1.00 0.55 C ATOM 210 CG ASN A 14 0.424 -0.114 5.556 1.00 0.93 C ATOM 211 OD1 ASN A 14 0.156 -1.299 5.559 1.00 1.71 O ATOM 212 ND2 ASN A 14 -0.523 0.767 5.382 1.00 1.51 N ATOM 0 H ASN A 14 3.913 1.051 6.822 1.00 0.53 H new ATOM 0 HA ASN A 14 1.943 -1.079 7.393 1.00 0.54 H new ATOM 0 HB2 ASN A 14 1.872 1.353 6.205 1.00 0.55 H new ATOM 0 HB3 ASN A 14 2.368 0.441 4.793 1.00 0.55 H new ATOM 0 HD21 ASN A 14 -1.487 0.460 5.249 1.00 1.51 H new ATOM 0 HD22 ASN A 14 -0.299 1.762 5.379 1.00 1.51 H new ATOM 219 N LEU A 15 3.929 -1.420 4.813 1.00 0.48 N ATOM 220 CA LEU A 15 4.569 -2.454 3.949 1.00 0.48 C ATOM 221 C LEU A 15 5.109 -3.594 4.825 1.00 0.48 C ATOM 222 O LEU A 15 4.661 -4.720 4.743 1.00 0.62 O ATOM 223 CB LEU A 15 5.698 -1.687 3.230 1.00 0.53 C ATOM 224 CG LEU A 15 6.902 -2.597 2.945 1.00 0.84 C ATOM 225 CD1 LEU A 15 6.438 -3.844 2.191 1.00 1.29 C ATOM 226 CD2 LEU A 15 7.922 -1.834 2.097 1.00 2.02 C ATOM 0 H LEU A 15 4.113 -0.456 4.535 1.00 0.48 H new ATOM 0 HA LEU A 15 3.888 -2.920 3.237 1.00 0.48 H new ATOM 0 HB2 LEU A 15 5.321 -1.276 2.293 1.00 0.53 H new ATOM 0 HB3 LEU A 15 6.015 -0.844 3.844 1.00 0.53 H new ATOM 0 HG LEU A 15 7.362 -2.898 3.886 1.00 0.84 H new ATOM 0 HD11 LEU A 15 7.295 -4.488 1.990 1.00 1.29 H new ATOM 0 HD12 LEU A 15 5.711 -4.386 2.796 1.00 1.29 H new ATOM 0 HD13 LEU A 15 5.977 -3.549 1.248 1.00 1.29 H new ATOM 0 HD21 LEU A 15 8.778 -2.477 1.892 1.00 2.02 H new ATOM 0 HD22 LEU A 15 7.461 -1.533 1.156 1.00 2.02 H new ATOM 0 HD23 LEU A 15 8.254 -0.948 2.638 1.00 2.02 H new ATOM 238 N GLY A 16 6.061 -3.305 5.665 1.00 0.48 N ATOM 239 CA GLY A 16 6.622 -4.366 6.547 1.00 0.52 C ATOM 240 C GLY A 16 5.474 -5.164 7.169 1.00 0.51 C ATOM 241 O GLY A 16 5.491 -6.379 7.193 1.00 0.51 O ATOM 0 H GLY A 16 6.476 -2.380 5.780 1.00 0.48 H new ATOM 0 HA2 GLY A 16 7.271 -5.027 5.973 1.00 0.52 H new ATOM 0 HA3 GLY A 16 7.235 -3.918 7.329 1.00 0.52 H new ATOM 245 N LYS A 17 4.476 -4.489 7.671 1.00 0.57 N ATOM 246 CA LYS A 17 3.325 -5.207 8.291 1.00 0.62 C ATOM 247 C LYS A 17 2.493 -5.910 7.221 1.00 0.59 C ATOM 248 O LYS A 17 2.656 -7.085 6.959 1.00 0.65 O ATOM 249 CB LYS A 17 2.503 -4.115 8.977 1.00 0.69 C ATOM 250 CG LYS A 17 2.691 -4.209 10.493 1.00 0.99 C ATOM 251 CD LYS A 17 3.347 -2.926 11.007 1.00 1.53 C ATOM 252 CE LYS A 17 3.100 -2.794 12.512 1.00 2.14 C ATOM 253 NZ LYS A 17 3.436 -4.131 13.075 1.00 2.65 N ATOM 0 H LYS A 17 4.407 -3.471 7.679 1.00 0.57 H new ATOM 0 HA LYS A 17 3.650 -5.977 8.991 1.00 0.62 H new ATOM 0 HB2 LYS A 17 2.815 -3.133 8.622 1.00 0.69 H new ATOM 0 HB3 LYS A 17 1.449 -4.225 8.723 1.00 0.69 H new ATOM 0 HG2 LYS A 17 1.728 -4.358 10.981 1.00 0.99 H new ATOM 0 HG3 LYS A 17 3.310 -5.071 10.740 1.00 0.99 H new ATOM 0 HD2 LYS A 17 4.418 -2.946 10.804 1.00 1.53 H new ATOM 0 HD3 LYS A 17 2.939 -2.061 10.483 1.00 1.53 H new ATOM 0 HE2 LYS A 17 3.724 -2.014 12.948 1.00 2.14 H new ATOM 0 HE3 LYS A 17 2.064 -2.527 12.720 1.00 2.14 H new ATOM 0 HZ1 LYS A 17 3.689 -4.031 14.079 1.00 2.65 H new ATOM 0 HZ2 LYS A 17 2.614 -4.762 12.986 1.00 2.65 H new ATOM 0 HZ3 LYS A 17 4.240 -4.535 12.554 1.00 2.65 H new ATOM 267 N PHE A 18 1.598 -5.189 6.615 1.00 0.59 N ATOM 268 CA PHE A 18 0.724 -5.784 5.556 1.00 0.60 C ATOM 269 C PHE A 18 1.507 -6.759 4.684 1.00 0.56 C ATOM 270 O PHE A 18 1.231 -7.942 4.652 1.00 0.69 O ATOM 271 CB PHE A 18 0.245 -4.592 4.727 1.00 0.65 C ATOM 272 CG PHE A 18 -1.070 -4.094 5.275 1.00 1.02 C ATOM 273 CD1 PHE A 18 -1.275 -4.032 6.658 1.00 1.81 C ATOM 274 CD2 PHE A 18 -2.086 -3.692 4.399 1.00 1.38 C ATOM 275 CE1 PHE A 18 -2.496 -3.571 7.165 1.00 2.55 C ATOM 276 CE2 PHE A 18 -3.307 -3.231 4.907 1.00 2.08 C ATOM 277 CZ PHE A 18 -3.511 -3.171 6.290 1.00 2.59 C ATOM 0 H PHE A 18 1.428 -4.202 6.806 1.00 0.59 H new ATOM 0 HA PHE A 18 -0.103 -6.351 5.984 1.00 0.60 H new ATOM 0 HB2 PHE A 18 0.988 -3.795 4.754 1.00 0.65 H new ATOM 0 HB3 PHE A 18 0.129 -4.884 3.683 1.00 0.65 H new ATOM 0 HD1 PHE A 18 -0.491 -4.340 7.334 1.00 1.81 H new ATOM 0 HD2 PHE A 18 -1.928 -3.737 3.332 1.00 1.38 H new ATOM 0 HE1 PHE A 18 -2.654 -3.524 8.232 1.00 2.55 H new ATOM 0 HE2 PHE A 18 -4.091 -2.922 4.231 1.00 2.08 H new ATOM 0 HZ PHE A 18 -4.453 -2.816 6.682 1.00 2.59 H new ATOM 287 N ALA A 19 2.473 -6.269 3.977 1.00 0.51 N ATOM 288 CA ALA A 19 3.279 -7.159 3.096 1.00 0.48 C ATOM 289 C ALA A 19 3.615 -8.456 3.833 1.00 0.45 C ATOM 290 O ALA A 19 3.093 -9.503 3.517 1.00 0.43 O ATOM 291 CB ALA A 19 4.547 -6.368 2.771 1.00 0.54 C ATOM 0 H ALA A 19 2.746 -5.286 3.967 1.00 0.51 H new ATOM 0 HA ALA A 19 2.744 -7.440 2.189 1.00 0.48 H new ATOM 0 HB1 ALA A 19 5.191 -6.963 2.123 1.00 0.54 H new ATOM 0 HB2 ALA A 19 4.278 -5.442 2.263 1.00 0.54 H new ATOM 0 HB3 ALA A 19 5.077 -6.135 3.694 1.00 0.54 H new ATOM 297 N VAL A 20 4.475 -8.394 4.816 1.00 0.49 N ATOM 298 CA VAL A 20 4.840 -9.628 5.576 1.00 0.50 C ATOM 299 C VAL A 20 3.598 -10.488 5.829 1.00 0.48 C ATOM 300 O VAL A 20 3.683 -11.693 5.959 1.00 0.49 O ATOM 301 CB VAL A 20 5.419 -9.122 6.897 1.00 0.58 C ATOM 302 CG1 VAL A 20 5.535 -10.285 7.883 1.00 1.29 C ATOM 303 CG2 VAL A 20 6.806 -8.524 6.649 1.00 1.34 C ATOM 0 H VAL A 20 4.941 -7.541 5.126 1.00 0.49 H new ATOM 0 HA VAL A 20 5.548 -10.251 5.030 1.00 0.50 H new ATOM 0 HB VAL A 20 4.762 -8.358 7.313 1.00 0.58 H new ATOM 0 HG11 VAL A 20 5.948 -9.924 8.825 1.00 1.29 H new ATOM 0 HG12 VAL A 20 4.548 -10.712 8.060 1.00 1.29 H new ATOM 0 HG13 VAL A 20 6.192 -11.049 7.468 1.00 1.29 H new ATOM 0 HG21 VAL A 20 7.220 -8.163 7.590 1.00 1.34 H new ATOM 0 HG22 VAL A 20 7.463 -9.288 6.233 1.00 1.34 H new ATOM 0 HG23 VAL A 20 6.724 -7.695 5.947 1.00 1.34 H new ATOM 313 N ASP A 21 2.445 -9.880 5.894 1.00 0.48 N ATOM 314 CA ASP A 21 1.201 -10.667 6.135 1.00 0.50 C ATOM 315 C ASP A 21 0.555 -11.060 4.806 1.00 0.47 C ATOM 316 O ASP A 21 0.491 -12.222 4.464 1.00 0.48 O ATOM 317 CB ASP A 21 0.285 -9.733 6.926 1.00 0.56 C ATOM 318 CG ASP A 21 -0.166 -10.429 8.212 1.00 0.94 C ATOM 319 OD1 ASP A 21 0.693 -10.895 8.942 1.00 1.44 O ATOM 320 OD2 ASP A 21 -1.362 -10.483 8.444 1.00 1.72 O ATOM 0 H ASP A 21 2.310 -8.874 5.791 1.00 0.48 H new ATOM 0 HA ASP A 21 1.398 -11.593 6.674 1.00 0.50 H new ATOM 0 HB2 ASP A 21 0.810 -8.808 7.165 1.00 0.56 H new ATOM 0 HB3 ASP A 21 -0.582 -9.461 6.324 1.00 0.56 H new ATOM 325 N GLU A 22 0.073 -10.110 4.053 1.00 0.47 N ATOM 326 CA GLU A 22 -0.563 -10.469 2.753 1.00 0.47 C ATOM 327 C GLU A 22 0.454 -11.161 1.852 1.00 0.42 C ATOM 328 O GLU A 22 0.115 -12.038 1.087 1.00 0.46 O ATOM 329 CB GLU A 22 -1.057 -9.148 2.158 1.00 0.51 C ATOM 330 CG GLU A 22 -1.892 -8.401 3.200 1.00 0.98 C ATOM 331 CD GLU A 22 -3.278 -8.102 2.627 1.00 1.26 C ATOM 332 OE1 GLU A 22 -3.385 -7.991 1.417 1.00 1.71 O ATOM 333 OE2 GLU A 22 -4.208 -7.989 3.408 1.00 1.95 O ATOM 0 H GLU A 22 0.091 -9.115 4.276 1.00 0.47 H new ATOM 0 HA GLU A 22 -1.392 -11.168 2.869 1.00 0.47 H new ATOM 0 HB2 GLU A 22 -0.209 -8.536 1.849 1.00 0.51 H new ATOM 0 HB3 GLU A 22 -1.654 -9.339 1.266 1.00 0.51 H new ATOM 0 HG2 GLU A 22 -1.983 -9.001 4.106 1.00 0.98 H new ATOM 0 HG3 GLU A 22 -1.395 -7.472 3.481 1.00 0.98 H new ATOM 340 N GLU A 23 1.701 -10.809 1.967 1.00 0.38 N ATOM 341 CA GLU A 23 2.741 -11.493 1.139 1.00 0.36 C ATOM 342 C GLU A 23 2.954 -12.889 1.714 1.00 0.36 C ATOM 343 O GLU A 23 2.709 -13.882 1.058 1.00 0.36 O ATOM 344 CB GLU A 23 4.012 -10.642 1.263 1.00 0.39 C ATOM 345 CG GLU A 23 5.160 -11.180 0.372 1.00 0.60 C ATOM 346 CD GLU A 23 4.641 -11.939 -0.861 1.00 0.94 C ATOM 347 OE1 GLU A 23 3.877 -12.874 -0.691 1.00 1.49 O ATOM 348 OE2 GLU A 23 5.045 -11.584 -1.956 1.00 1.61 O ATOM 0 H GLU A 23 2.049 -10.083 2.593 1.00 0.38 H new ATOM 0 HA GLU A 23 2.459 -11.593 0.091 1.00 0.36 H new ATOM 0 HB2 GLU A 23 3.788 -9.613 0.983 1.00 0.39 H new ATOM 0 HB3 GLU A 23 4.337 -10.626 2.303 1.00 0.39 H new ATOM 0 HG2 GLU A 23 5.784 -10.348 0.046 1.00 0.60 H new ATOM 0 HG3 GLU A 23 5.794 -11.842 0.962 1.00 0.60 H new ATOM 355 N ASN A 24 3.361 -12.983 2.951 1.00 0.41 N ATOM 356 CA ASN A 24 3.523 -14.331 3.549 1.00 0.45 C ATOM 357 C ASN A 24 2.221 -15.084 3.322 1.00 0.48 C ATOM 358 O ASN A 24 2.208 -16.195 2.830 1.00 0.52 O ATOM 359 CB ASN A 24 3.774 -14.094 5.039 1.00 0.50 C ATOM 360 CG ASN A 24 4.025 -15.433 5.736 1.00 1.22 C ATOM 361 OD1 ASN A 24 3.287 -16.378 5.544 1.00 2.19 O ATOM 362 ND2 ASN A 24 5.043 -15.553 6.543 1.00 1.54 N ATOM 0 H ASN A 24 3.584 -12.197 3.562 1.00 0.41 H new ATOM 0 HA ASN A 24 4.340 -14.911 3.119 1.00 0.45 H new ATOM 0 HB2 ASN A 24 4.632 -13.436 5.173 1.00 0.50 H new ATOM 0 HB3 ASN A 24 2.916 -13.594 5.488 1.00 0.50 H new ATOM 0 HD21 ASN A 24 5.219 -16.441 7.013 1.00 1.54 H new ATOM 0 HD22 ASN A 24 5.663 -14.759 6.704 1.00 1.54 H new ATOM 369 N LYS A 25 1.116 -14.462 3.633 1.00 0.50 N ATOM 370 CA LYS A 25 -0.188 -15.122 3.384 1.00 0.57 C ATOM 371 C LYS A 25 -0.261 -15.474 1.904 1.00 0.60 C ATOM 372 O LYS A 25 -0.591 -16.580 1.525 1.00 0.70 O ATOM 373 CB LYS A 25 -1.249 -14.083 3.753 1.00 0.62 C ATOM 374 CG LYS A 25 -2.627 -14.746 3.779 1.00 1.15 C ATOM 375 CD LYS A 25 -3.526 -14.019 4.781 1.00 1.59 C ATOM 376 CE LYS A 25 -4.711 -14.915 5.149 1.00 2.04 C ATOM 377 NZ LYS A 25 -5.568 -14.074 6.031 1.00 2.68 N ATOM 0 H LYS A 25 1.064 -13.531 4.046 1.00 0.50 H new ATOM 0 HA LYS A 25 -0.330 -16.036 3.960 1.00 0.57 H new ATOM 0 HB2 LYS A 25 -1.024 -13.649 4.727 1.00 0.62 H new ATOM 0 HB3 LYS A 25 -1.240 -13.267 3.031 1.00 0.62 H new ATOM 0 HG2 LYS A 25 -3.075 -14.717 2.786 1.00 1.15 H new ATOM 0 HG3 LYS A 25 -2.532 -15.796 4.055 1.00 1.15 H new ATOM 0 HD2 LYS A 25 -2.958 -13.763 5.676 1.00 1.59 H new ATOM 0 HD3 LYS A 25 -3.884 -13.083 4.352 1.00 1.59 H new ATOM 0 HE2 LYS A 25 -5.254 -15.236 4.260 1.00 2.04 H new ATOM 0 HE3 LYS A 25 -4.380 -15.817 5.664 1.00 2.04 H new ATOM 0 HZ1 LYS A 25 -6.403 -14.619 6.326 1.00 2.68 H new ATOM 0 HZ2 LYS A 25 -5.026 -13.789 6.872 1.00 2.68 H new ATOM 0 HZ3 LYS A 25 -5.874 -13.226 5.512 1.00 2.68 H new ATOM 391 N ILE A 26 0.076 -14.535 1.071 1.00 0.54 N ATOM 392 CA ILE A 26 0.064 -14.802 -0.397 1.00 0.60 C ATOM 393 C ILE A 26 0.848 -16.094 -0.665 1.00 0.57 C ATOM 394 O ILE A 26 0.646 -16.768 -1.654 1.00 0.62 O ATOM 395 CB ILE A 26 0.731 -13.559 -1.050 1.00 0.65 C ATOM 396 CG1 ILE A 26 -0.355 -12.616 -1.584 1.00 0.84 C ATOM 397 CG2 ILE A 26 1.649 -13.946 -2.221 1.00 0.66 C ATOM 398 CD1 ILE A 26 -1.332 -13.394 -2.468 1.00 1.32 C ATOM 0 H ILE A 26 0.360 -13.593 1.339 1.00 0.54 H new ATOM 0 HA ILE A 26 -0.935 -14.946 -0.807 1.00 0.60 H new ATOM 0 HB ILE A 26 1.332 -13.073 -0.282 1.00 0.65 H new ATOM 0 HG12 ILE A 26 -0.890 -12.156 -0.753 1.00 0.84 H new ATOM 0 HG13 ILE A 26 0.102 -11.808 -2.155 1.00 0.84 H new ATOM 0 HG21 ILE A 26 2.094 -13.047 -2.647 1.00 0.66 H new ATOM 0 HG22 ILE A 26 2.439 -14.606 -1.862 1.00 0.66 H new ATOM 0 HG23 ILE A 26 1.066 -14.460 -2.986 1.00 0.66 H new ATOM 0 HD11 ILE A 26 -2.100 -12.718 -2.844 1.00 1.32 H new ATOM 0 HD12 ILE A 26 -0.793 -13.833 -3.308 1.00 1.32 H new ATOM 0 HD13 ILE A 26 -1.800 -14.186 -1.883 1.00 1.32 H new ATOM 410 N GLY A 27 1.744 -16.428 0.217 1.00 0.53 N ATOM 411 CA GLY A 27 2.554 -17.665 0.032 1.00 0.55 C ATOM 412 C GLY A 27 4.038 -17.297 -0.021 1.00 0.62 C ATOM 413 O GLY A 27 4.845 -18.007 -0.590 1.00 0.87 O ATOM 0 H GLY A 27 1.953 -15.897 1.062 1.00 0.53 H new ATOM 0 HA2 GLY A 27 2.369 -18.360 0.851 1.00 0.55 H new ATOM 0 HA3 GLY A 27 2.260 -18.171 -0.888 1.00 0.55 H new ATOM 417 N GLN A 28 4.406 -16.192 0.569 1.00 0.64 N ATOM 418 CA GLN A 28 5.836 -15.775 0.556 1.00 0.84 C ATOM 419 C GLN A 28 6.320 -15.540 1.988 1.00 1.14 C ATOM 420 O GLN A 28 6.637 -14.432 2.375 1.00 1.81 O ATOM 421 CB GLN A 28 5.863 -14.470 -0.241 1.00 0.72 C ATOM 422 CG GLN A 28 7.257 -14.257 -0.831 1.00 1.11 C ATOM 423 CD GLN A 28 7.662 -15.487 -1.647 1.00 1.48 C ATOM 424 OE1 GLN A 28 6.842 -16.081 -2.319 1.00 2.16 O ATOM 425 NE2 GLN A 28 8.900 -15.896 -1.616 1.00 2.06 N ATOM 0 H GLN A 28 3.775 -15.559 1.061 1.00 0.64 H new ATOM 0 HA GLN A 28 6.487 -16.531 0.116 1.00 0.84 H new ATOM 0 HB2 GLN A 28 5.121 -14.504 -1.039 1.00 0.72 H new ATOM 0 HB3 GLN A 28 5.599 -13.632 0.405 1.00 0.72 H new ATOM 0 HG2 GLN A 28 7.263 -13.370 -1.464 1.00 1.11 H new ATOM 0 HG3 GLN A 28 7.978 -14.084 -0.032 1.00 1.11 H new ATOM 0 HE21 GLN A 28 9.588 -15.397 -1.052 1.00 2.06 H new ATOM 0 HE22 GLN A 28 9.180 -16.715 -2.156 1.00 2.06 H new ATOM 486 N LEU A 32 11.118 -11.759 5.723 1.00 0.95 N ATOM 487 CA LEU A 32 10.422 -10.473 6.004 1.00 0.86 C ATOM 488 C LEU A 32 10.075 -9.770 4.692 1.00 0.78 C ATOM 489 O LEU A 32 10.319 -10.283 3.618 1.00 1.17 O ATOM 490 CB LEU A 32 11.424 -9.644 6.806 1.00 1.08 C ATOM 491 CG LEU A 32 11.905 -10.452 8.010 1.00 1.41 C ATOM 492 CD1 LEU A 32 13.186 -11.202 7.640 1.00 2.25 C ATOM 493 CD2 LEU A 32 12.189 -9.504 9.176 1.00 1.71 C ATOM 0 HA LEU A 32 9.489 -10.618 6.548 1.00 0.86 H new ATOM 0 HB2 LEU A 32 12.271 -9.369 6.177 1.00 1.08 H new ATOM 0 HB3 LEU A 32 10.960 -8.716 7.139 1.00 1.08 H new ATOM 0 HG LEU A 32 11.136 -11.167 8.301 1.00 1.41 H new ATOM 0 HD11 LEU A 32 13.531 -11.779 8.498 1.00 2.25 H new ATOM 0 HD12 LEU A 32 12.986 -11.875 6.807 1.00 2.25 H new ATOM 0 HD13 LEU A 32 13.956 -10.487 7.351 1.00 2.25 H new ATOM 0 HD21 LEU A 32 12.532 -10.078 10.036 1.00 1.71 H new ATOM 0 HD22 LEU A 32 12.960 -8.790 8.885 1.00 1.71 H new ATOM 0 HD23 LEU A 32 11.278 -8.967 9.439 1.00 1.71 H new ATOM 505 N THR A 33 9.508 -8.601 4.769 1.00 0.67 N ATOM 506 CA THR A 33 9.147 -7.867 3.525 1.00 0.55 C ATOM 507 C THR A 33 9.290 -6.360 3.749 1.00 0.58 C ATOM 508 O THR A 33 8.399 -5.588 3.455 1.00 0.67 O ATOM 509 CB THR A 33 7.686 -8.238 3.243 1.00 0.54 C ATOM 510 OG1 THR A 33 7.232 -9.188 4.199 1.00 0.68 O ATOM 511 CG2 THR A 33 7.571 -8.836 1.840 1.00 0.46 C ATOM 0 H THR A 33 9.278 -8.121 5.639 1.00 0.67 H new ATOM 0 HA THR A 33 9.794 -8.129 2.688 1.00 0.55 H new ATOM 0 HB THR A 33 7.072 -7.340 3.310 1.00 0.54 H new ATOM 0 HG1 THR A 33 7.243 -10.084 3.801 1.00 0.68 H new ATOM 0 HG21 THR A 33 6.532 -9.099 1.641 1.00 0.46 H new ATOM 0 HG22 THR A 33 7.908 -8.106 1.104 1.00 0.46 H new ATOM 0 HG23 THR A 33 8.191 -9.730 1.774 1.00 0.46 H new ATOM 519 N PHE A 34 10.411 -5.942 4.267 1.00 0.62 N ATOM 520 CA PHE A 34 10.630 -4.487 4.515 1.00 0.69 C ATOM 521 C PHE A 34 11.964 -4.275 5.239 1.00 0.72 C ATOM 522 O PHE A 34 12.006 -4.086 6.438 1.00 1.10 O ATOM 523 CB PHE A 34 9.462 -4.055 5.404 1.00 0.84 C ATOM 524 CG PHE A 34 9.764 -2.708 6.016 1.00 1.41 C ATOM 525 CD1 PHE A 34 10.127 -1.632 5.197 1.00 2.49 C ATOM 526 CD2 PHE A 34 9.679 -2.534 7.402 1.00 1.68 C ATOM 527 CE1 PHE A 34 10.406 -0.383 5.763 1.00 3.46 C ATOM 528 CE2 PHE A 34 9.958 -1.285 7.969 1.00 2.52 C ATOM 529 CZ PHE A 34 10.322 -0.209 7.150 1.00 3.36 C ATOM 0 H PHE A 34 11.189 -6.547 4.531 1.00 0.62 H new ATOM 0 HA PHE A 34 10.671 -3.910 3.591 1.00 0.69 H new ATOM 0 HB2 PHE A 34 8.545 -4.002 4.817 1.00 0.84 H new ATOM 0 HB3 PHE A 34 9.296 -4.793 6.188 1.00 0.84 H new ATOM 0 HD1 PHE A 34 10.192 -1.766 4.127 1.00 2.49 H new ATOM 0 HD2 PHE A 34 9.398 -3.363 8.034 1.00 1.68 H new ATOM 0 HE1 PHE A 34 10.686 0.446 5.130 1.00 3.46 H new ATOM 0 HE2 PHE A 34 9.893 -1.151 9.039 1.00 2.52 H new ATOM 0 HZ PHE A 34 10.538 0.754 7.588 1.00 3.36 H new ATOM 539 N ASN A 35 13.053 -4.308 4.520 1.00 0.61 N ATOM 540 CA ASN A 35 14.381 -4.114 5.172 1.00 0.64 C ATOM 541 C ASN A 35 15.108 -2.907 4.568 1.00 0.62 C ATOM 542 O ASN A 35 15.682 -2.102 5.275 1.00 0.67 O ATOM 543 CB ASN A 35 15.154 -5.401 4.884 1.00 0.70 C ATOM 544 CG ASN A 35 16.444 -5.417 5.706 1.00 0.86 C ATOM 545 OD1 ASN A 35 16.405 -5.423 6.920 1.00 1.58 O ATOM 546 ND2 ASN A 35 17.595 -5.425 5.091 1.00 1.32 N ATOM 0 H ASN A 35 13.081 -4.460 3.512 1.00 0.61 H new ATOM 0 HA ASN A 35 14.287 -3.920 6.241 1.00 0.64 H new ATOM 0 HB2 ASN A 35 14.542 -6.268 5.131 1.00 0.70 H new ATOM 0 HB3 ASN A 35 15.387 -5.468 3.821 1.00 0.70 H new ATOM 0 HD21 ASN A 35 18.461 -5.436 5.630 1.00 1.32 H new ATOM 0 HD22 ASN A 35 17.629 -5.420 4.072 1.00 1.32 H new ATOM 553 N LYS A 36 15.100 -2.779 3.269 1.00 0.64 N ATOM 554 CA LYS A 36 15.805 -1.628 2.632 1.00 0.69 C ATOM 555 C LYS A 36 15.089 -0.306 2.942 1.00 0.60 C ATOM 556 O LYS A 36 15.318 0.297 3.971 1.00 0.64 O ATOM 557 CB LYS A 36 15.779 -1.929 1.135 1.00 0.87 C ATOM 558 CG LYS A 36 17.086 -2.618 0.737 1.00 1.55 C ATOM 559 CD LYS A 36 18.053 -1.584 0.157 1.00 2.09 C ATOM 560 CE LYS A 36 18.834 -0.919 1.293 1.00 2.81 C ATOM 561 NZ LYS A 36 20.265 -1.036 0.896 1.00 3.36 N ATOM 0 H LYS A 36 14.638 -3.419 2.623 1.00 0.64 H new ATOM 0 HA LYS A 36 16.822 -1.514 3.006 1.00 0.69 H new ATOM 0 HB2 LYS A 36 14.929 -2.568 0.895 1.00 0.87 H new ATOM 0 HB3 LYS A 36 15.653 -1.006 0.569 1.00 0.87 H new ATOM 0 HG2 LYS A 36 17.533 -3.102 1.605 1.00 1.55 H new ATOM 0 HG3 LYS A 36 16.889 -3.399 0.003 1.00 1.55 H new ATOM 0 HD2 LYS A 36 18.741 -2.064 -0.539 1.00 2.09 H new ATOM 0 HD3 LYS A 36 17.502 -0.832 -0.408 1.00 2.09 H new ATOM 0 HE2 LYS A 36 18.542 0.124 1.415 1.00 2.81 H new ATOM 0 HE3 LYS A 36 18.646 -1.416 2.245 1.00 2.81 H new ATOM 0 HZ1 LYS A 36 20.865 -0.602 1.626 1.00 3.36 H new ATOM 0 HZ2 LYS A 36 20.516 -2.040 0.794 1.00 3.36 H new ATOM 0 HZ3 LYS A 36 20.415 -0.548 -0.010 1.00 3.36 H new ATOM 575 N VAL A 37 14.240 0.170 2.064 1.00 0.54 N ATOM 576 CA VAL A 37 13.553 1.468 2.345 1.00 0.51 C ATOM 577 C VAL A 37 12.245 1.603 1.547 1.00 0.46 C ATOM 578 O VAL A 37 11.943 0.811 0.676 1.00 0.52 O ATOM 579 CB VAL A 37 14.561 2.529 1.904 1.00 0.57 C ATOM 580 CG1 VAL A 37 13.867 3.887 1.775 1.00 0.60 C ATOM 581 CG2 VAL A 37 15.681 2.628 2.942 1.00 0.71 C ATOM 0 H VAL A 37 13.996 -0.275 1.179 1.00 0.54 H new ATOM 0 HA VAL A 37 13.270 1.559 3.394 1.00 0.51 H new ATOM 0 HB VAL A 37 14.978 2.247 0.937 1.00 0.57 H new ATOM 0 HG11 VAL A 37 14.592 4.638 1.460 1.00 0.60 H new ATOM 0 HG12 VAL A 37 13.070 3.819 1.034 1.00 0.60 H new ATOM 0 HG13 VAL A 37 13.444 4.172 2.738 1.00 0.60 H new ATOM 0 HG21 VAL A 37 16.401 3.384 2.629 1.00 0.71 H new ATOM 0 HG22 VAL A 37 15.259 2.906 3.908 1.00 0.71 H new ATOM 0 HG23 VAL A 37 16.182 1.664 3.030 1.00 0.71 H new ATOM 591 N ILE A 38 11.478 2.621 1.847 1.00 0.46 N ATOM 592 CA ILE A 38 10.186 2.857 1.130 1.00 0.45 C ATOM 593 C ILE A 38 10.077 4.341 0.765 1.00 0.48 C ATOM 594 O ILE A 38 9.544 5.136 1.512 1.00 0.66 O ATOM 595 CB ILE A 38 9.099 2.465 2.143 1.00 0.52 C ATOM 596 CG1 ILE A 38 7.711 2.859 1.564 1.00 0.85 C ATOM 597 CG2 ILE A 38 9.389 3.159 3.488 1.00 1.05 C ATOM 598 CD1 ILE A 38 6.781 3.483 2.617 1.00 1.55 C ATOM 0 H ILE A 38 11.695 3.309 2.569 1.00 0.46 H new ATOM 0 HA ILE A 38 10.099 2.286 0.206 1.00 0.45 H new ATOM 0 HB ILE A 38 9.096 1.390 2.321 1.00 0.52 H new ATOM 0 HG12 ILE A 38 7.851 3.565 0.746 1.00 0.85 H new ATOM 0 HG13 ILE A 38 7.234 1.974 1.143 1.00 0.85 H new ATOM 0 HG21 ILE A 38 8.621 2.885 4.212 1.00 1.05 H new ATOM 0 HG22 ILE A 38 10.365 2.844 3.857 1.00 1.05 H new ATOM 0 HG23 ILE A 38 9.386 4.240 3.348 1.00 1.05 H new ATOM 0 HD11 ILE A 38 5.827 3.738 2.155 1.00 1.55 H new ATOM 0 HD12 ILE A 38 6.614 2.769 3.424 1.00 1.55 H new ATOM 0 HD13 ILE A 38 7.241 4.385 3.020 1.00 1.55 H new ATOM 610 N ARG A 39 10.589 4.727 -0.374 1.00 0.48 N ATOM 611 CA ARG A 39 10.517 6.167 -0.757 1.00 0.50 C ATOM 612 C ARG A 39 9.454 6.395 -1.837 1.00 0.50 C ATOM 613 O ARG A 39 8.584 7.228 -1.672 1.00 0.53 O ATOM 614 CB ARG A 39 11.911 6.518 -1.278 1.00 0.54 C ATOM 615 CG ARG A 39 12.435 7.754 -0.544 1.00 1.00 C ATOM 616 CD ARG A 39 13.753 8.204 -1.178 1.00 1.45 C ATOM 617 NE ARG A 39 13.902 9.631 -0.781 1.00 1.82 N ATOM 618 CZ ARG A 39 14.872 10.349 -1.277 1.00 2.30 C ATOM 619 NH1 ARG A 39 15.445 9.990 -2.394 1.00 2.55 N ATOM 620 NH2 ARG A 39 15.272 11.425 -0.657 1.00 2.98 N ATOM 0 H ARG A 39 11.049 4.115 -1.048 1.00 0.48 H new ATOM 0 HA ARG A 39 10.232 6.795 0.087 1.00 0.50 H new ATOM 0 HB2 ARG A 39 12.589 5.678 -1.127 1.00 0.54 H new ATOM 0 HB3 ARG A 39 11.873 6.708 -2.351 1.00 0.54 H new ATOM 0 HG2 ARG A 39 11.701 8.559 -0.595 1.00 1.00 H new ATOM 0 HG3 ARG A 39 12.586 7.527 0.511 1.00 1.00 H new ATOM 0 HD2 ARG A 39 14.589 7.605 -0.818 1.00 1.45 H new ATOM 0 HD3 ARG A 39 13.727 8.096 -2.262 1.00 1.45 H new ATOM 0 HE ARG A 39 13.245 10.048 -0.121 1.00 1.82 H new ATOM 0 HH11 ARG A 39 15.134 9.148 -2.879 1.00 2.55 H new ATOM 0 HH12 ARG A 39 16.203 10.551 -2.782 1.00 2.55 H new ATOM 0 HH21 ARG A 39 14.826 11.706 0.216 1.00 2.98 H new ATOM 0 HH22 ARG A 39 16.030 11.985 -1.046 1.00 2.98 H new ATOM 634 N PRO A 40 9.549 5.656 -2.913 1.00 0.49 N ATOM 635 CA PRO A 40 8.572 5.805 -4.007 1.00 0.53 C ATOM 636 C PRO A 40 7.310 4.979 -3.731 1.00 0.52 C ATOM 637 O PRO A 40 6.843 4.223 -4.564 1.00 0.58 O ATOM 638 CB PRO A 40 9.333 5.310 -5.231 1.00 0.58 C ATOM 639 CG PRO A 40 10.410 4.399 -4.712 1.00 0.56 C ATOM 640 CD PRO A 40 10.548 4.626 -3.220 1.00 0.50 C ATOM 0 HA PRO A 40 8.213 6.826 -4.133 1.00 0.53 H new ATOM 0 HB2 PRO A 40 8.670 4.780 -5.914 1.00 0.58 H new ATOM 0 HB3 PRO A 40 9.762 6.144 -5.787 1.00 0.58 H new ATOM 0 HG2 PRO A 40 10.158 3.358 -4.916 1.00 0.56 H new ATOM 0 HG3 PRO A 40 11.355 4.603 -5.216 1.00 0.56 H new ATOM 0 HD2 PRO A 40 10.359 3.710 -2.660 1.00 0.50 H new ATOM 0 HD3 PRO A 40 11.553 4.958 -2.960 1.00 0.50 H new ATOM 648 N CYS A 41 6.746 5.138 -2.565 1.00 0.49 N ATOM 649 CA CYS A 41 5.500 4.388 -2.225 1.00 0.52 C ATOM 650 C CYS A 41 4.286 5.325 -2.320 1.00 0.50 C ATOM 651 O CYS A 41 4.210 6.341 -1.647 1.00 0.69 O ATOM 652 CB CYS A 41 5.699 3.889 -0.790 1.00 0.61 C ATOM 653 SG CYS A 41 6.079 5.282 0.302 1.00 1.57 S ATOM 0 H CYS A 41 7.093 5.755 -1.831 1.00 0.49 H new ATOM 0 HA CYS A 41 5.316 3.558 -2.908 1.00 0.52 H new ATOM 0 HB2 CYS A 41 4.799 3.381 -0.445 1.00 0.61 H new ATOM 0 HB3 CYS A 41 6.509 3.160 -0.759 1.00 0.61 H new ATOM 0 HG CYS A 41 5.849 6.399 -0.323 1.00 1.57 H new ATOM 659 N MET A 42 3.340 4.995 -3.161 1.00 0.49 N ATOM 660 CA MET A 42 2.137 5.866 -3.316 1.00 0.53 C ATOM 661 C MET A 42 0.863 5.100 -2.941 1.00 0.52 C ATOM 662 O MET A 42 0.901 3.927 -2.624 1.00 0.65 O ATOM 663 CB MET A 42 2.114 6.244 -4.796 1.00 0.59 C ATOM 664 CG MET A 42 2.892 7.545 -5.004 1.00 0.79 C ATOM 665 SD MET A 42 2.482 8.241 -6.624 1.00 1.64 S ATOM 666 CE MET A 42 3.577 7.188 -7.607 1.00 1.91 C ATOM 0 H MET A 42 3.349 4.160 -3.747 1.00 0.49 H new ATOM 0 HA MET A 42 2.179 6.740 -2.667 1.00 0.53 H new ATOM 0 HB2 MET A 42 2.554 5.445 -5.393 1.00 0.59 H new ATOM 0 HB3 MET A 42 1.085 6.365 -5.135 1.00 0.59 H new ATOM 0 HG2 MET A 42 2.646 8.258 -4.217 1.00 0.79 H new ATOM 0 HG3 MET A 42 3.963 7.355 -4.938 1.00 0.79 H new ATOM 0 HE1 MET A 42 3.524 7.485 -8.654 1.00 1.91 H new ATOM 0 HE2 MET A 42 4.601 7.295 -7.251 1.00 1.91 H new ATOM 0 HE3 MET A 42 3.266 6.148 -7.509 1.00 1.91 H new ATOM 676 N LYS A 43 -0.267 5.756 -2.977 1.00 0.48 N ATOM 677 CA LYS A 43 -1.546 5.068 -2.625 1.00 0.50 C ATOM 678 C LYS A 43 -2.673 5.524 -3.559 1.00 0.55 C ATOM 679 O LYS A 43 -2.640 6.609 -4.104 1.00 0.74 O ATOM 680 CB LYS A 43 -1.842 5.495 -1.187 1.00 0.62 C ATOM 681 CG LYS A 43 -3.250 5.045 -0.796 1.00 0.77 C ATOM 682 CD LYS A 43 -4.200 6.243 -0.843 1.00 0.95 C ATOM 683 CE LYS A 43 -5.580 5.822 -0.332 1.00 1.24 C ATOM 684 NZ LYS A 43 -5.684 6.415 1.030 1.00 1.47 N ATOM 0 H LYS A 43 -0.360 6.738 -3.235 1.00 0.48 H new ATOM 0 HA LYS A 43 -1.470 3.985 -2.725 1.00 0.50 H new ATOM 0 HB2 LYS A 43 -1.109 5.058 -0.509 1.00 0.62 H new ATOM 0 HB3 LYS A 43 -1.757 6.578 -1.094 1.00 0.62 H new ATOM 0 HG2 LYS A 43 -3.596 4.266 -1.475 1.00 0.77 H new ATOM 0 HG3 LYS A 43 -3.241 4.614 0.205 1.00 0.77 H new ATOM 0 HD2 LYS A 43 -3.807 7.056 -0.233 1.00 0.95 H new ATOM 0 HD3 LYS A 43 -4.278 6.619 -1.863 1.00 0.95 H new ATOM 0 HE2 LYS A 43 -6.372 6.190 -0.984 1.00 1.24 H new ATOM 0 HE3 LYS A 43 -5.674 4.737 -0.298 1.00 1.24 H new ATOM 0 HZ1 LYS A 43 -6.624 6.842 1.152 1.00 1.47 H new ATOM 0 HZ2 LYS A 43 -5.546 5.671 1.744 1.00 1.47 H new ATOM 0 HZ3 LYS A 43 -4.954 7.146 1.147 1.00 1.47 H new ATOM 698 N LYS A 44 -3.673 4.703 -3.747 1.00 0.53 N ATOM 699 CA LYS A 44 -4.800 5.092 -4.644 1.00 0.64 C ATOM 700 C LYS A 44 -6.096 4.397 -4.205 1.00 0.57 C ATOM 701 O LYS A 44 -6.321 3.238 -4.492 1.00 0.71 O ATOM 702 CB LYS A 44 -4.382 4.617 -6.036 1.00 0.78 C ATOM 703 CG LYS A 44 -4.755 5.678 -7.072 1.00 1.24 C ATOM 704 CD LYS A 44 -5.617 5.045 -8.165 1.00 1.52 C ATOM 705 CE LYS A 44 -4.956 5.263 -9.528 1.00 1.97 C ATOM 706 NZ LYS A 44 -4.596 3.898 -10.003 1.00 2.46 N ATOM 0 H LYS A 44 -3.758 3.781 -3.319 1.00 0.53 H new ATOM 0 HA LYS A 44 -4.993 6.165 -4.620 1.00 0.64 H new ATOM 0 HB2 LYS A 44 -3.308 4.431 -6.061 1.00 0.78 H new ATOM 0 HB3 LYS A 44 -4.874 3.674 -6.273 1.00 0.78 H new ATOM 0 HG2 LYS A 44 -5.297 6.494 -6.593 1.00 1.24 H new ATOM 0 HG3 LYS A 44 -3.853 6.108 -7.509 1.00 1.24 H new ATOM 0 HD2 LYS A 44 -5.739 3.979 -7.975 1.00 1.52 H new ATOM 0 HD3 LYS A 44 -6.614 5.486 -8.158 1.00 1.52 H new ATOM 0 HE2 LYS A 44 -5.636 5.756 -10.222 1.00 1.97 H new ATOM 0 HE3 LYS A 44 -4.073 5.897 -9.442 1.00 1.97 H new ATOM 0 HZ1 LYS A 44 -4.137 3.964 -10.934 1.00 2.46 H new ATOM 0 HZ2 LYS A 44 -3.943 3.456 -9.325 1.00 2.46 H new ATOM 0 HZ3 LYS A 44 -5.457 3.320 -10.082 1.00 2.46 H new ATOM 720 N THR A 45 -6.949 5.099 -3.510 1.00 0.59 N ATOM 721 CA THR A 45 -8.228 4.480 -3.052 1.00 0.53 C ATOM 722 C THR A 45 -9.368 4.850 -4.006 1.00 0.57 C ATOM 723 O THR A 45 -9.386 5.919 -4.583 1.00 0.61 O ATOM 724 CB THR A 45 -8.468 5.070 -1.654 1.00 0.56 C ATOM 725 OG1 THR A 45 -7.672 4.369 -0.709 1.00 0.61 O ATOM 726 CG2 THR A 45 -9.946 4.942 -1.263 1.00 0.57 C ATOM 0 H THR A 45 -6.817 6.073 -3.239 1.00 0.59 H new ATOM 0 HA THR A 45 -8.182 3.391 -3.032 1.00 0.53 H new ATOM 0 HB THR A 45 -8.197 6.126 -1.665 1.00 0.56 H new ATOM 0 HG1 THR A 45 -8.250 3.826 -0.133 1.00 0.61 H new ATOM 0 HG21 THR A 45 -10.098 5.365 -0.270 1.00 0.57 H new ATOM 0 HG22 THR A 45 -10.561 5.480 -1.984 1.00 0.57 H new ATOM 0 HG23 THR A 45 -10.231 3.890 -1.257 1.00 0.57 H new ATOM 734 N ILE A 46 -10.329 3.981 -4.155 1.00 0.61 N ATOM 735 CA ILE A 46 -11.481 4.286 -5.045 1.00 0.72 C ATOM 736 C ILE A 46 -12.736 4.390 -4.187 1.00 0.69 C ATOM 737 O ILE A 46 -13.782 3.863 -4.510 1.00 0.95 O ATOM 738 CB ILE A 46 -11.579 3.103 -6.000 1.00 0.81 C ATOM 739 CG1 ILE A 46 -12.749 3.329 -6.960 1.00 1.51 C ATOM 740 CG2 ILE A 46 -11.815 1.826 -5.196 1.00 1.34 C ATOM 741 CD1 ILE A 46 -12.212 3.769 -8.322 1.00 1.84 C ATOM 0 H ILE A 46 -10.365 3.070 -3.697 1.00 0.61 H new ATOM 0 HA ILE A 46 -11.365 5.221 -5.593 1.00 0.72 H new ATOM 0 HB ILE A 46 -10.654 3.008 -6.569 1.00 0.81 H new ATOM 0 HG12 ILE A 46 -13.330 2.413 -7.065 1.00 1.51 H new ATOM 0 HG13 ILE A 46 -13.421 4.088 -6.559 1.00 1.51 H new ATOM 0 HG21 ILE A 46 -11.886 0.976 -5.875 1.00 1.34 H new ATOM 0 HG22 ILE A 46 -10.985 1.671 -4.507 1.00 1.34 H new ATOM 0 HG23 ILE A 46 -12.743 1.918 -4.632 1.00 1.34 H new ATOM 0 HD11 ILE A 46 -13.045 3.930 -9.007 1.00 1.84 H new ATOM 0 HD12 ILE A 46 -11.650 4.696 -8.209 1.00 1.84 H new ATOM 0 HD13 ILE A 46 -11.558 2.995 -8.723 1.00 1.84 H new ATOM 898 N GLY A 55 -13.469 1.589 -2.116 1.00 0.53 N ATOM 899 CA GLY A 55 -12.314 0.665 -2.291 1.00 0.63 C ATOM 900 C GLY A 55 -11.036 1.292 -1.740 1.00 0.54 C ATOM 901 O GLY A 55 -11.014 2.437 -1.340 1.00 0.61 O ATOM 0 HA2 GLY A 55 -12.514 -0.276 -1.779 1.00 0.63 H new ATOM 0 HA3 GLY A 55 -12.185 0.432 -3.348 1.00 0.63 H new ATOM 905 N TYR A 56 -9.969 0.540 -1.718 1.00 0.65 N ATOM 906 CA TYR A 56 -8.684 1.079 -1.192 1.00 0.63 C ATOM 907 C TYR A 56 -7.502 0.307 -1.788 1.00 0.69 C ATOM 908 O TYR A 56 -6.915 -0.540 -1.145 1.00 0.93 O ATOM 909 CB TYR A 56 -8.756 0.864 0.321 1.00 0.76 C ATOM 910 CG TYR A 56 -7.782 1.789 1.009 1.00 0.97 C ATOM 911 CD1 TYR A 56 -6.404 1.614 0.834 1.00 1.49 C ATOM 912 CD2 TYR A 56 -8.257 2.824 1.825 1.00 1.63 C ATOM 913 CE1 TYR A 56 -5.502 2.472 1.473 1.00 2.02 C ATOM 914 CE2 TYR A 56 -7.355 3.683 2.464 1.00 2.24 C ATOM 915 CZ TYR A 56 -5.977 3.506 2.288 1.00 2.27 C ATOM 916 OH TYR A 56 -5.087 4.352 2.918 1.00 2.99 O ATOM 0 H TYR A 56 -9.933 -0.426 -2.043 1.00 0.65 H new ATOM 0 HA TYR A 56 -8.540 2.128 -1.449 1.00 0.63 H new ATOM 0 HB2 TYR A 56 -9.768 1.054 0.678 1.00 0.76 H new ATOM 0 HB3 TYR A 56 -8.522 -0.173 0.563 1.00 0.76 H new ATOM 0 HD1 TYR A 56 -6.037 0.816 0.205 1.00 1.49 H new ATOM 0 HD2 TYR A 56 -9.320 2.959 1.961 1.00 1.63 H new ATOM 0 HE1 TYR A 56 -4.439 2.336 1.337 1.00 2.02 H new ATOM 0 HE2 TYR A 56 -7.722 4.481 3.092 1.00 2.24 H new ATOM 0 HH TYR A 56 -5.582 5.014 3.444 1.00 2.99 H new ATOM 926 N GLU A 57 -7.144 0.599 -3.009 1.00 0.69 N ATOM 927 CA GLU A 57 -5.992 -0.109 -3.636 1.00 0.73 C ATOM 928 C GLU A 57 -4.752 0.779 -3.543 1.00 0.68 C ATOM 929 O GLU A 57 -4.849 1.946 -3.224 1.00 0.83 O ATOM 930 CB GLU A 57 -6.397 -0.322 -5.095 1.00 0.80 C ATOM 931 CG GLU A 57 -6.475 1.029 -5.807 1.00 1.39 C ATOM 932 CD GLU A 57 -6.703 0.806 -7.303 1.00 1.80 C ATOM 933 OE1 GLU A 57 -6.210 -0.184 -7.816 1.00 2.43 O ATOM 934 OE2 GLU A 57 -7.366 1.631 -7.911 1.00 2.19 O ATOM 0 H GLU A 57 -7.599 1.296 -3.599 1.00 0.69 H new ATOM 0 HA GLU A 57 -5.758 -1.055 -3.148 1.00 0.73 H new ATOM 0 HB2 GLU A 57 -5.673 -0.966 -5.594 1.00 0.80 H new ATOM 0 HB3 GLU A 57 -7.361 -0.827 -5.145 1.00 0.80 H new ATOM 0 HG2 GLU A 57 -7.286 1.625 -5.390 1.00 1.39 H new ATOM 0 HG3 GLU A 57 -5.553 1.589 -5.648 1.00 1.39 H new ATOM 941 N TYR A 58 -3.584 0.259 -3.804 1.00 0.58 N ATOM 942 CA TYR A 58 -2.383 1.144 -3.702 1.00 0.65 C ATOM 943 C TYR A 58 -1.158 0.575 -4.424 1.00 0.54 C ATOM 944 O TYR A 58 -1.120 -0.569 -4.834 1.00 0.54 O ATOM 945 CB TYR A 58 -2.143 1.304 -2.179 1.00 0.85 C ATOM 946 CG TYR A 58 -0.975 0.464 -1.654 1.00 0.60 C ATOM 947 CD1 TYR A 58 -0.800 -0.868 -2.060 1.00 1.05 C ATOM 948 CD2 TYR A 58 -0.087 1.023 -0.728 1.00 1.11 C ATOM 949 CE1 TYR A 58 0.256 -1.625 -1.543 1.00 1.26 C ATOM 950 CE2 TYR A 58 0.961 0.262 -0.206 1.00 1.38 C ATOM 951 CZ TYR A 58 1.134 -1.062 -0.613 1.00 1.24 C ATOM 952 OH TYR A 58 2.169 -1.813 -0.098 1.00 1.74 O ATOM 0 H TYR A 58 -3.408 -0.708 -4.075 1.00 0.58 H new ATOM 0 HA TYR A 58 -2.552 2.101 -4.195 1.00 0.65 H new ATOM 0 HB2 TYR A 58 -1.954 2.354 -1.957 1.00 0.85 H new ATOM 0 HB3 TYR A 58 -3.051 1.024 -1.645 1.00 0.85 H new ATOM 0 HD1 TYR A 58 -1.482 -1.309 -2.772 1.00 1.05 H new ATOM 0 HD2 TYR A 58 -0.213 2.049 -0.415 1.00 1.11 H new ATOM 0 HE1 TYR A 58 0.393 -2.647 -1.863 1.00 1.26 H new ATOM 0 HE2 TYR A 58 1.638 0.698 0.513 1.00 1.38 H new ATOM 0 HH TYR A 58 2.380 -2.545 -0.714 1.00 1.74 H new ATOM 962 N GLN A 59 -0.146 1.388 -4.529 1.00 0.52 N ATOM 963 CA GLN A 59 1.125 0.963 -5.165 1.00 0.46 C ATOM 964 C GLN A 59 2.273 1.418 -4.264 1.00 0.42 C ATOM 965 O GLN A 59 2.392 2.583 -3.941 1.00 0.50 O ATOM 966 CB GLN A 59 1.165 1.686 -6.513 1.00 0.55 C ATOM 967 CG GLN A 59 0.285 0.941 -7.519 1.00 1.41 C ATOM 968 CD GLN A 59 -0.610 1.940 -8.253 1.00 1.47 C ATOM 969 OE1 GLN A 59 -1.418 2.613 -7.643 1.00 1.91 O ATOM 970 NE2 GLN A 59 -0.500 2.068 -9.548 1.00 1.90 N ATOM 0 H GLN A 59 -0.149 2.351 -4.192 1.00 0.52 H new ATOM 0 HA GLN A 59 1.206 -0.115 -5.305 1.00 0.46 H new ATOM 0 HB2 GLN A 59 0.815 2.712 -6.398 1.00 0.55 H new ATOM 0 HB3 GLN A 59 2.190 1.738 -6.879 1.00 0.55 H new ATOM 0 HG2 GLN A 59 0.907 0.402 -8.233 1.00 1.41 H new ATOM 0 HG3 GLN A 59 -0.326 0.199 -7.004 1.00 1.41 H new ATOM 0 HE21 GLN A 59 0.178 1.504 -10.061 1.00 1.90 H new ATOM 0 HE22 GLN A 59 -1.092 2.732 -10.047 1.00 1.90 H new ATOM 979 N LEU A 60 3.109 0.517 -3.842 1.00 0.38 N ATOM 980 CA LEU A 60 4.229 0.907 -2.947 1.00 0.39 C ATOM 981 C LEU A 60 5.551 0.538 -3.602 1.00 0.33 C ATOM 982 O LEU A 60 6.207 -0.411 -3.219 1.00 0.30 O ATOM 983 CB LEU A 60 3.996 0.105 -1.665 1.00 0.44 C ATOM 984 CG LEU A 60 5.072 0.444 -0.628 1.00 0.50 C ATOM 985 CD1 LEU A 60 4.456 1.287 0.493 1.00 0.60 C ATOM 986 CD2 LEU A 60 5.632 -0.848 -0.031 1.00 0.66 C ATOM 0 H LEU A 60 3.066 -0.474 -4.078 1.00 0.38 H new ATOM 0 HA LEU A 60 4.267 1.977 -2.744 1.00 0.39 H new ATOM 0 HB2 LEU A 60 3.008 0.328 -1.262 1.00 0.44 H new ATOM 0 HB3 LEU A 60 4.016 -0.962 -1.886 1.00 0.44 H new ATOM 0 HG LEU A 60 5.873 1.004 -1.111 1.00 0.50 H new ATOM 0 HD11 LEU A 60 5.222 1.528 1.230 1.00 0.60 H new ATOM 0 HD12 LEU A 60 4.052 2.209 0.075 1.00 0.60 H new ATOM 0 HD13 LEU A 60 3.655 0.725 0.973 1.00 0.60 H new ATOM 0 HD21 LEU A 60 6.397 -0.606 0.707 1.00 0.66 H new ATOM 0 HD22 LEU A 60 4.828 -1.405 0.450 1.00 0.66 H new ATOM 0 HD23 LEU A 60 6.070 -1.455 -0.823 1.00 0.66 H new ATOM 998 N TYR A 61 5.952 1.292 -4.585 1.00 0.36 N ATOM 999 CA TYR A 61 7.233 1.000 -5.266 1.00 0.36 C ATOM 1000 C TYR A 61 8.369 1.305 -4.295 1.00 0.33 C ATOM 1001 O TYR A 61 8.580 2.434 -3.912 1.00 0.36 O ATOM 1002 CB TYR A 61 7.222 1.933 -6.473 1.00 0.43 C ATOM 1003 CG TYR A 61 8.624 2.134 -7.004 1.00 0.56 C ATOM 1004 CD1 TYR A 61 9.600 1.147 -6.813 1.00 0.59 C ATOM 1005 CD2 TYR A 61 8.946 3.310 -7.691 1.00 1.18 C ATOM 1006 CE1 TYR A 61 10.896 1.340 -7.309 1.00 0.74 C ATOM 1007 CE2 TYR A 61 10.240 3.503 -8.186 1.00 1.50 C ATOM 1008 CZ TYR A 61 11.216 2.517 -7.995 1.00 1.17 C ATOM 1009 OH TYR A 61 12.492 2.708 -8.482 1.00 1.51 O ATOM 0 H TYR A 61 5.443 2.100 -4.944 1.00 0.36 H new ATOM 0 HA TYR A 61 7.364 -0.036 -5.580 1.00 0.36 H new ATOM 0 HB2 TYR A 61 6.587 1.517 -7.255 1.00 0.43 H new ATOM 0 HB3 TYR A 61 6.792 2.895 -6.192 1.00 0.43 H new ATOM 0 HD1 TYR A 61 9.353 0.238 -6.284 1.00 0.59 H new ATOM 0 HD2 TYR A 61 8.194 4.070 -7.839 1.00 1.18 H new ATOM 0 HE1 TYR A 61 11.649 0.580 -7.162 1.00 0.74 H new ATOM 0 HE2 TYR A 61 10.486 4.412 -8.715 1.00 1.50 H new ATOM 0 HH TYR A 61 12.543 3.577 -8.933 1.00 1.51 H new ATOM 1019 N VAL A 62 9.070 0.290 -3.858 1.00 0.29 N ATOM 1020 CA VAL A 62 10.164 0.501 -2.869 1.00 0.30 C ATOM 1021 C VAL A 62 11.145 -0.664 -2.926 1.00 0.30 C ATOM 1022 O VAL A 62 11.240 -1.373 -3.908 1.00 0.35 O ATOM 1023 CB VAL A 62 9.454 0.509 -1.515 1.00 0.31 C ATOM 1024 CG1 VAL A 62 8.429 1.640 -1.476 1.00 0.63 C ATOM 1025 CG2 VAL A 62 8.740 -0.827 -1.308 1.00 0.53 C ATOM 0 H VAL A 62 8.929 -0.678 -4.146 1.00 0.29 H new ATOM 0 HA VAL A 62 10.727 1.415 -3.056 1.00 0.30 H new ATOM 0 HB VAL A 62 10.189 0.660 -0.724 1.00 0.31 H new ATOM 0 HG11 VAL A 62 7.926 1.642 -0.509 1.00 0.63 H new ATOM 0 HG12 VAL A 62 8.934 2.594 -1.624 1.00 0.63 H new ATOM 0 HG13 VAL A 62 7.694 1.492 -2.267 1.00 0.63 H new ATOM 0 HG21 VAL A 62 8.233 -0.823 -0.343 1.00 0.53 H new ATOM 0 HG22 VAL A 62 8.008 -0.975 -2.102 1.00 0.53 H new ATOM 0 HG23 VAL A 62 9.469 -1.637 -1.331 1.00 0.53 H new ATOM 1035 N TYR A 63 11.854 -0.874 -1.862 1.00 0.33 N ATOM 1036 CA TYR A 63 12.818 -2.001 -1.809 1.00 0.38 C ATOM 1037 C TYR A 63 12.890 -2.531 -0.380 1.00 0.47 C ATOM 1038 O TYR A 63 13.037 -1.780 0.564 1.00 0.62 O ATOM 1039 CB TYR A 63 14.163 -1.420 -2.239 1.00 0.45 C ATOM 1040 CG TYR A 63 15.210 -2.515 -2.273 1.00 0.54 C ATOM 1041 CD1 TYR A 63 14.835 -3.864 -2.383 1.00 0.75 C ATOM 1042 CD2 TYR A 63 16.566 -2.176 -2.202 1.00 1.05 C ATOM 1043 CE1 TYR A 63 15.814 -4.864 -2.420 1.00 0.75 C ATOM 1044 CE2 TYR A 63 17.545 -3.176 -2.241 1.00 1.22 C ATOM 1045 CZ TYR A 63 17.168 -4.520 -2.349 1.00 0.83 C ATOM 1046 OH TYR A 63 18.134 -5.505 -2.388 1.00 0.99 O ATOM 0 H TYR A 63 11.808 -0.307 -1.015 1.00 0.33 H new ATOM 0 HA TYR A 63 12.527 -2.829 -2.456 1.00 0.38 H new ATOM 0 HB2 TYR A 63 14.073 -0.960 -3.223 1.00 0.45 H new ATOM 0 HB3 TYR A 63 14.468 -0.635 -1.547 1.00 0.45 H new ATOM 0 HD1 TYR A 63 13.790 -4.130 -2.439 1.00 0.75 H new ATOM 0 HD2 TYR A 63 16.858 -1.140 -2.117 1.00 1.05 H new ATOM 0 HE1 TYR A 63 15.524 -5.901 -2.503 1.00 0.75 H new ATOM 0 HE2 TYR A 63 18.591 -2.911 -2.188 1.00 1.22 H new ATOM 0 HH TYR A 63 19.022 -5.095 -2.329 1.00 0.99 H new ATOM 1056 N ALA A 64 12.771 -3.814 -0.212 1.00 0.44 N ATOM 1057 CA ALA A 64 12.819 -4.391 1.156 1.00 0.54 C ATOM 1058 C ALA A 64 13.921 -5.458 1.230 1.00 0.56 C ATOM 1059 O ALA A 64 15.057 -5.198 0.885 1.00 0.60 O ATOM 1060 CB ALA A 64 11.434 -4.998 1.344 1.00 0.57 C ATOM 0 H ALA A 64 12.642 -4.490 -0.965 1.00 0.44 H new ATOM 0 HA ALA A 64 13.051 -3.661 1.932 1.00 0.54 H new ATOM 0 HB1 ALA A 64 11.367 -5.453 2.332 1.00 0.57 H new ATOM 0 HB2 ALA A 64 10.679 -4.217 1.253 1.00 0.57 H new ATOM 0 HB3 ALA A 64 11.264 -5.758 0.582 1.00 0.57 H new ATOM 1066 N SER A 65 13.605 -6.655 1.658 1.00 0.60 N ATOM 1067 CA SER A 65 14.646 -7.719 1.718 1.00 0.65 C ATOM 1068 C SER A 65 14.574 -8.549 0.436 1.00 0.62 C ATOM 1069 O SER A 65 15.537 -9.158 0.014 1.00 0.70 O ATOM 1070 CB SER A 65 14.282 -8.568 2.936 1.00 0.71 C ATOM 1071 OG SER A 65 14.938 -9.825 2.844 1.00 1.39 O ATOM 0 H SER A 65 12.675 -6.938 1.966 1.00 0.60 H new ATOM 0 HA SER A 65 15.658 -7.324 1.802 1.00 0.65 H new ATOM 0 HB2 SER A 65 14.578 -8.056 3.852 1.00 0.71 H new ATOM 0 HB3 SER A 65 13.202 -8.711 2.985 1.00 0.71 H new ATOM 0 HG SER A 65 14.708 -10.372 3.624 1.00 1.39 H new ATOM 1077 N ASP A 66 13.427 -8.562 -0.187 1.00 0.59 N ATOM 1078 CA ASP A 66 13.256 -9.331 -1.453 1.00 0.64 C ATOM 1079 C ASP A 66 12.185 -8.658 -2.318 1.00 0.56 C ATOM 1080 O ASP A 66 11.631 -9.254 -3.221 1.00 0.67 O ATOM 1081 CB ASP A 66 12.800 -10.723 -1.015 1.00 0.74 C ATOM 1082 CG ASP A 66 13.766 -11.773 -1.566 1.00 0.95 C ATOM 1083 OD1 ASP A 66 14.863 -11.398 -1.947 1.00 1.52 O ATOM 1084 OD2 ASP A 66 13.393 -12.934 -1.597 1.00 1.51 O ATOM 0 H ASP A 66 12.593 -8.068 0.130 1.00 0.59 H new ATOM 0 HA ASP A 66 14.170 -9.377 -2.045 1.00 0.64 H new ATOM 0 HB2 ASP A 66 12.766 -10.780 0.073 1.00 0.74 H new ATOM 0 HB3 ASP A 66 11.790 -10.917 -1.377 1.00 0.74 H new ATOM 1089 N LYS A 67 11.889 -7.415 -2.040 1.00 0.50 N ATOM 1090 CA LYS A 67 10.855 -6.687 -2.830 1.00 0.45 C ATOM 1091 C LYS A 67 11.492 -5.530 -3.593 1.00 0.43 C ATOM 1092 O LYS A 67 11.377 -4.382 -3.216 1.00 0.45 O ATOM 1093 CB LYS A 67 9.874 -6.156 -1.796 1.00 0.48 C ATOM 1094 CG LYS A 67 8.973 -5.091 -2.429 1.00 0.42 C ATOM 1095 CD LYS A 67 9.128 -3.779 -1.666 1.00 0.50 C ATOM 1096 CE LYS A 67 8.521 -3.934 -0.270 1.00 0.73 C ATOM 1097 NZ LYS A 67 7.039 -3.898 -0.468 1.00 1.37 N ATOM 0 H LYS A 67 12.323 -6.871 -1.294 1.00 0.50 H new ATOM 0 HA LYS A 67 10.371 -7.330 -3.566 1.00 0.45 H new ATOM 0 HB2 LYS A 67 9.267 -6.973 -1.405 1.00 0.48 H new ATOM 0 HB3 LYS A 67 10.417 -5.730 -0.952 1.00 0.48 H new ATOM 0 HG2 LYS A 67 9.239 -4.949 -3.476 1.00 0.42 H new ATOM 0 HG3 LYS A 67 7.933 -5.418 -2.406 1.00 0.42 H new ATOM 0 HD2 LYS A 67 10.182 -3.511 -1.590 1.00 0.50 H new ATOM 0 HD3 LYS A 67 8.632 -2.971 -2.204 1.00 0.50 H new ATOM 0 HE2 LYS A 67 8.832 -4.872 0.190 1.00 0.73 H new ATOM 0 HE3 LYS A 67 8.848 -3.131 0.391 1.00 0.73 H new ATOM 0 HZ1 LYS A 67 6.633 -3.122 0.092 1.00 1.37 H new ATOM 0 HZ2 LYS A 67 6.827 -3.746 -1.475 1.00 1.37 H new ATOM 0 HZ3 LYS A 67 6.626 -4.801 -0.160 1.00 1.37 H new ATOM 1111 N LEU A 68 12.133 -5.823 -4.674 1.00 0.48 N ATOM 1112 CA LEU A 68 12.758 -4.744 -5.491 1.00 0.50 C ATOM 1113 C LEU A 68 11.734 -4.225 -6.487 1.00 0.49 C ATOM 1114 O LEU A 68 11.892 -4.379 -7.681 1.00 0.58 O ATOM 1115 CB LEU A 68 13.912 -5.415 -6.234 1.00 0.61 C ATOM 1116 CG LEU A 68 15.040 -5.731 -5.251 1.00 1.08 C ATOM 1117 CD1 LEU A 68 15.778 -6.990 -5.708 1.00 1.66 C ATOM 1118 CD2 LEU A 68 16.019 -4.555 -5.207 1.00 1.80 C ATOM 0 H LEU A 68 12.257 -6.768 -5.037 1.00 0.48 H new ATOM 0 HA LEU A 68 13.102 -3.906 -4.885 1.00 0.50 H new ATOM 0 HB2 LEU A 68 13.566 -6.331 -6.713 1.00 0.61 H new ATOM 0 HB3 LEU A 68 14.278 -4.761 -7.025 1.00 0.61 H new ATOM 0 HG LEU A 68 14.622 -5.896 -4.258 1.00 1.08 H new ATOM 0 HD11 LEU A 68 16.582 -7.215 -5.007 1.00 1.66 H new ATOM 0 HD12 LEU A 68 15.081 -7.828 -5.742 1.00 1.66 H new ATOM 0 HD13 LEU A 68 16.197 -6.826 -6.701 1.00 1.66 H new ATOM 0 HD21 LEU A 68 16.824 -4.778 -4.507 1.00 1.80 H new ATOM 0 HD22 LEU A 68 16.437 -4.392 -6.200 1.00 1.80 H new ATOM 0 HD23 LEU A 68 15.494 -3.657 -4.882 1.00 1.80 H new ATOM 1130 N PHE A 69 10.675 -3.623 -6.017 1.00 0.42 N ATOM 1131 CA PHE A 69 9.650 -3.125 -6.965 1.00 0.49 C ATOM 1132 C PHE A 69 8.477 -2.481 -6.203 1.00 0.40 C ATOM 1133 O PHE A 69 8.681 -1.564 -5.437 1.00 0.47 O ATOM 1134 CB PHE A 69 9.235 -4.366 -7.777 1.00 0.64 C ATOM 1135 CG PHE A 69 9.114 -5.595 -6.891 1.00 0.87 C ATOM 1136 CD1 PHE A 69 8.504 -5.523 -5.630 1.00 1.18 C ATOM 1137 CD2 PHE A 69 9.621 -6.818 -7.348 1.00 1.10 C ATOM 1138 CE1 PHE A 69 8.403 -6.672 -4.834 1.00 1.68 C ATOM 1139 CE2 PHE A 69 9.519 -7.964 -6.551 1.00 1.58 C ATOM 1140 CZ PHE A 69 8.911 -7.892 -5.295 1.00 1.85 C ATOM 0 H PHE A 69 10.480 -3.458 -5.029 1.00 0.42 H new ATOM 0 HA PHE A 69 10.019 -2.339 -7.624 1.00 0.49 H new ATOM 0 HB2 PHE A 69 8.282 -4.177 -8.271 1.00 0.64 H new ATOM 0 HB3 PHE A 69 9.969 -4.552 -8.561 1.00 0.64 H new ATOM 0 HD1 PHE A 69 8.112 -4.582 -5.273 1.00 1.18 H new ATOM 0 HD2 PHE A 69 10.092 -6.877 -8.318 1.00 1.10 H new ATOM 0 HE1 PHE A 69 7.933 -6.616 -3.863 1.00 1.68 H new ATOM 0 HE2 PHE A 69 9.911 -8.905 -6.907 1.00 1.58 H new ATOM 0 HZ PHE A 69 8.833 -8.777 -4.681 1.00 1.85 H new ATOM 1150 N ARG A 70 7.256 -2.921 -6.400 1.00 0.36 N ATOM 1151 CA ARG A 70 6.124 -2.275 -5.672 1.00 0.32 C ATOM 1152 C ARG A 70 5.216 -3.293 -5.004 1.00 0.34 C ATOM 1153 O ARG A 70 4.636 -4.146 -5.646 1.00 0.50 O ATOM 1154 CB ARG A 70 5.334 -1.533 -6.750 1.00 0.36 C ATOM 1155 CG ARG A 70 4.033 -0.959 -6.156 1.00 0.39 C ATOM 1156 CD ARG A 70 3.044 -0.685 -7.291 1.00 0.87 C ATOM 1157 NE ARG A 70 3.609 0.486 -8.018 1.00 0.83 N ATOM 1158 CZ ARG A 70 3.641 0.491 -9.323 1.00 1.07 C ATOM 1159 NH1 ARG A 70 4.011 -0.580 -9.971 1.00 1.69 N ATOM 1160 NH2 ARG A 70 3.301 1.565 -9.980 1.00 1.56 N ATOM 0 H ARG A 70 7.000 -3.687 -7.023 1.00 0.36 H new ATOM 0 HA ARG A 70 6.499 -1.626 -4.880 1.00 0.32 H new ATOM 0 HB2 ARG A 70 5.939 -0.727 -7.165 1.00 0.36 H new ATOM 0 HB3 ARG A 70 5.100 -2.211 -7.571 1.00 0.36 H new ATOM 0 HG2 ARG A 70 3.602 -1.662 -5.443 1.00 0.39 H new ATOM 0 HG3 ARG A 70 4.243 -0.040 -5.609 1.00 0.39 H new ATOM 0 HD2 ARG A 70 2.948 -1.549 -7.948 1.00 0.87 H new ATOM 0 HD3 ARG A 70 2.049 -0.467 -6.904 1.00 0.87 H new ATOM 0 HE ARG A 70 3.971 1.284 -7.496 1.00 0.83 H new ATOM 0 HH11 ARG A 70 4.275 -1.421 -9.458 1.00 1.69 H new ATOM 0 HH12 ARG A 70 4.036 -0.576 -10.991 1.00 1.69 H new ATOM 0 HH21 ARG A 70 3.010 2.402 -9.474 1.00 1.56 H new ATOM 0 HH22 ARG A 70 3.326 1.568 -11.000 1.00 1.56 H new ATOM 1174 N ALA A 71 5.035 -3.167 -3.723 1.00 0.36 N ATOM 1175 CA ALA A 71 4.103 -4.079 -3.028 1.00 0.39 C ATOM 1176 C ALA A 71 2.699 -3.540 -3.275 1.00 0.42 C ATOM 1177 O ALA A 71 2.333 -2.502 -2.763 1.00 0.47 O ATOM 1178 CB ALA A 71 4.474 -3.996 -1.547 1.00 0.45 C ATOM 0 H ALA A 71 5.492 -2.473 -3.132 1.00 0.36 H new ATOM 0 HA ALA A 71 4.151 -5.114 -3.367 1.00 0.39 H new ATOM 0 HB1 ALA A 71 3.820 -4.650 -0.971 1.00 0.45 H new ATOM 0 HB2 ALA A 71 5.509 -4.309 -1.413 1.00 0.45 H new ATOM 0 HB3 ALA A 71 4.358 -2.969 -1.200 1.00 0.45 H new ATOM 1184 N ASP A 72 1.923 -4.197 -4.086 1.00 0.46 N ATOM 1185 CA ASP A 72 0.561 -3.675 -4.380 1.00 0.54 C ATOM 1186 C ASP A 72 -0.447 -4.225 -3.377 1.00 0.59 C ATOM 1187 O ASP A 72 -0.198 -5.205 -2.712 1.00 1.02 O ATOM 1188 CB ASP A 72 0.241 -4.172 -5.790 1.00 0.59 C ATOM 1189 CG ASP A 72 -0.597 -3.123 -6.524 1.00 0.94 C ATOM 1190 OD1 ASP A 72 -1.712 -2.877 -6.093 1.00 1.46 O ATOM 1191 OD2 ASP A 72 -0.110 -2.583 -7.504 1.00 1.71 O ATOM 0 H ASP A 72 2.170 -5.068 -4.556 1.00 0.46 H new ATOM 0 HA ASP A 72 0.514 -2.588 -4.310 1.00 0.54 H new ATOM 0 HB2 ASP A 72 1.164 -4.364 -6.338 1.00 0.59 H new ATOM 0 HB3 ASP A 72 -0.302 -5.116 -5.740 1.00 0.59 H new ATOM 1196 N ILE A 73 -1.587 -3.602 -3.275 1.00 0.46 N ATOM 1197 CA ILE A 73 -2.625 -4.091 -2.327 1.00 0.47 C ATOM 1198 C ILE A 73 -3.989 -3.530 -2.737 1.00 0.54 C ATOM 1199 O ILE A 73 -4.248 -2.349 -2.641 1.00 0.63 O ATOM 1200 CB ILE A 73 -2.161 -3.626 -0.924 1.00 0.52 C ATOM 1201 CG1 ILE A 73 -2.431 -4.746 0.083 1.00 0.81 C ATOM 1202 CG2 ILE A 73 -2.890 -2.354 -0.465 1.00 0.64 C ATOM 1203 CD1 ILE A 73 -3.936 -4.869 0.321 1.00 1.09 C ATOM 0 H ILE A 73 -1.845 -2.772 -3.809 1.00 0.46 H new ATOM 0 HA ILE A 73 -2.740 -5.175 -2.328 1.00 0.47 H new ATOM 0 HB ILE A 73 -1.097 -3.397 -0.981 1.00 0.52 H new ATOM 0 HG12 ILE A 73 -2.033 -5.689 -0.292 1.00 0.81 H new ATOM 0 HG13 ILE A 73 -1.920 -4.535 1.022 1.00 0.81 H new ATOM 0 HG21 ILE A 73 -2.532 -2.066 0.523 1.00 0.64 H new ATOM 0 HG22 ILE A 73 -2.694 -1.547 -1.171 1.00 0.64 H new ATOM 0 HG23 ILE A 73 -3.962 -2.545 -0.421 1.00 0.64 H new ATOM 0 HD11 ILE A 73 -4.127 -5.667 1.038 1.00 1.09 H new ATOM 0 HD12 ILE A 73 -4.320 -3.928 0.714 1.00 1.09 H new ATOM 0 HD13 ILE A 73 -4.435 -5.100 -0.620 1.00 1.09 H new ATOM 1215 N SER A 74 -4.855 -4.374 -3.217 1.00 0.60 N ATOM 1216 CA SER A 74 -6.191 -3.891 -3.650 1.00 0.71 C ATOM 1217 C SER A 74 -7.269 -4.409 -2.694 1.00 0.73 C ATOM 1218 O SER A 74 -7.417 -5.599 -2.500 1.00 0.87 O ATOM 1219 CB SER A 74 -6.385 -4.484 -5.045 1.00 0.86 C ATOM 1220 OG SER A 74 -6.752 -3.449 -5.948 1.00 1.25 O ATOM 0 H SER A 74 -4.696 -5.375 -3.328 1.00 0.60 H new ATOM 0 HA SER A 74 -6.262 -2.803 -3.653 1.00 0.71 H new ATOM 0 HB2 SER A 74 -5.466 -4.965 -5.379 1.00 0.86 H new ATOM 0 HB3 SER A 74 -7.157 -5.253 -5.022 1.00 0.86 H new ATOM 0 HG SER A 74 -6.876 -3.825 -6.844 1.00 1.25 H new ATOM 1226 N GLU A 75 -8.022 -3.528 -2.096 1.00 0.70 N ATOM 1227 CA GLU A 75 -9.088 -3.978 -1.154 1.00 0.74 C ATOM 1228 C GLU A 75 -10.298 -3.053 -1.252 1.00 0.74 C ATOM 1229 O GLU A 75 -10.192 -1.858 -1.055 1.00 0.85 O ATOM 1230 CB GLU A 75 -8.460 -3.874 0.237 1.00 0.81 C ATOM 1231 CG GLU A 75 -7.553 -5.078 0.490 1.00 1.17 C ATOM 1232 CD GLU A 75 -6.478 -4.701 1.509 1.00 1.38 C ATOM 1233 OE1 GLU A 75 -6.048 -3.559 1.492 1.00 2.02 O ATOM 1234 OE2 GLU A 75 -6.104 -5.559 2.291 1.00 1.95 O ATOM 0 H GLU A 75 -7.947 -2.518 -2.218 1.00 0.70 H new ATOM 0 HA GLU A 75 -9.432 -4.988 -1.375 1.00 0.74 H new ATOM 0 HB2 GLU A 75 -7.885 -2.951 0.318 1.00 0.81 H new ATOM 0 HB3 GLU A 75 -9.241 -3.830 0.996 1.00 0.81 H new ATOM 0 HG2 GLU A 75 -8.141 -5.918 0.860 1.00 1.17 H new ATOM 0 HG3 GLU A 75 -7.089 -5.399 -0.442 1.00 1.17 H new ATOM 1241 N ASP A 76 -11.448 -3.589 -1.549 1.00 0.79 N ATOM 1242 CA ASP A 76 -12.656 -2.723 -1.648 1.00 0.91 C ATOM 1243 C ASP A 76 -12.925 -2.038 -0.303 1.00 0.86 C ATOM 1244 O ASP A 76 -12.015 -1.619 0.382 1.00 1.05 O ATOM 1245 CB ASP A 76 -13.787 -3.674 -1.998 1.00 1.23 C ATOM 1246 CG ASP A 76 -14.732 -3.002 -2.995 1.00 1.46 C ATOM 1247 OD1 ASP A 76 -15.595 -2.260 -2.555 1.00 2.14 O ATOM 1248 OD2 ASP A 76 -14.577 -3.240 -4.182 1.00 1.84 O ATOM 0 H ASP A 76 -11.604 -4.581 -1.726 1.00 0.79 H new ATOM 0 HA ASP A 76 -12.542 -1.932 -2.389 1.00 0.91 H new ATOM 0 HB2 ASP A 76 -13.384 -4.592 -2.425 1.00 1.23 H new ATOM 0 HB3 ASP A 76 -14.332 -3.954 -1.097 1.00 1.23 H new ATOM 1365 N LYS A 83 -9.524 -8.633 -1.219 1.00 1.06 N ATOM 1366 CA LYS A 83 -8.297 -8.288 -0.445 1.00 0.91 C ATOM 1367 C LYS A 83 -7.098 -9.020 -1.059 1.00 0.91 C ATOM 1368 O LYS A 83 -7.119 -10.223 -1.226 1.00 1.12 O ATOM 1369 CB LYS A 83 -8.562 -8.795 0.975 1.00 1.26 C ATOM 1370 CG LYS A 83 -9.299 -7.721 1.779 1.00 1.50 C ATOM 1371 CD LYS A 83 -10.475 -8.356 2.521 1.00 2.05 C ATOM 1372 CE LYS A 83 -10.418 -7.965 4.000 1.00 2.68 C ATOM 1373 NZ LYS A 83 -10.222 -9.249 4.730 1.00 3.30 N ATOM 0 HA LYS A 83 -8.077 -7.220 -0.453 1.00 0.91 H new ATOM 0 HB2 LYS A 83 -9.156 -9.708 0.940 1.00 1.26 H new ATOM 0 HB3 LYS A 83 -7.620 -9.046 1.463 1.00 1.26 H new ATOM 0 HG2 LYS A 83 -8.618 -7.252 2.489 1.00 1.50 H new ATOM 0 HG3 LYS A 83 -9.657 -6.935 1.114 1.00 1.50 H new ATOM 0 HD2 LYS A 83 -11.416 -8.025 2.083 1.00 2.05 H new ATOM 0 HD3 LYS A 83 -10.440 -9.441 2.419 1.00 2.05 H new ATOM 0 HE2 LYS A 83 -9.600 -7.272 4.194 1.00 2.68 H new ATOM 0 HE3 LYS A 83 -11.337 -7.469 4.313 1.00 2.68 H new ATOM 0 HZ1 LYS A 83 -10.173 -9.063 5.752 1.00 3.30 H new ATOM 0 HZ2 LYS A 83 -11.020 -9.886 4.532 1.00 3.30 H new ATOM 0 HZ3 LYS A 83 -9.336 -9.695 4.416 1.00 3.30 H new ATOM 1387 N LEU A 84 -6.060 -8.313 -1.413 1.00 0.77 N ATOM 1388 CA LEU A 84 -4.881 -8.990 -2.029 1.00 0.86 C ATOM 1389 C LEU A 84 -3.707 -8.016 -2.146 1.00 0.68 C ATOM 1390 O LEU A 84 -3.838 -6.840 -1.877 1.00 0.77 O ATOM 1391 CB LEU A 84 -5.364 -9.411 -3.419 1.00 1.08 C ATOM 1392 CG LEU A 84 -4.544 -10.603 -3.915 1.00 1.50 C ATOM 1393 CD1 LEU A 84 -4.578 -11.721 -2.871 1.00 2.19 C ATOM 1394 CD2 LEU A 84 -5.138 -11.116 -5.229 1.00 2.12 C ATOM 0 H LEU A 84 -5.976 -7.302 -1.304 1.00 0.77 H new ATOM 0 HA LEU A 84 -4.531 -9.835 -1.436 1.00 0.86 H new ATOM 0 HB2 LEU A 84 -6.421 -9.675 -3.382 1.00 1.08 H new ATOM 0 HB3 LEU A 84 -5.268 -8.578 -4.115 1.00 1.08 H new ATOM 0 HG LEU A 84 -3.512 -10.291 -4.076 1.00 1.50 H new ATOM 0 HD11 LEU A 84 -3.993 -12.569 -3.227 1.00 2.19 H new ATOM 0 HD12 LEU A 84 -4.156 -11.357 -1.934 1.00 2.19 H new ATOM 0 HD13 LEU A 84 -5.609 -12.035 -2.707 1.00 2.19 H new ATOM 0 HD21 LEU A 84 -4.555 -11.966 -5.585 1.00 2.12 H new ATOM 0 HD22 LEU A 84 -6.170 -11.427 -5.065 1.00 2.12 H new ATOM 0 HD23 LEU A 84 -5.113 -10.321 -5.975 1.00 2.12 H new ATOM 1406 N LEU A 85 -2.563 -8.496 -2.556 1.00 0.69 N ATOM 1407 CA LEU A 85 -1.388 -7.592 -2.700 1.00 0.59 C ATOM 1408 C LEU A 85 -0.417 -8.158 -3.748 1.00 0.59 C ATOM 1409 O LEU A 85 -0.583 -9.263 -4.226 1.00 0.75 O ATOM 1410 CB LEU A 85 -0.781 -7.502 -1.279 1.00 0.67 C ATOM 1411 CG LEU A 85 0.447 -8.408 -1.112 1.00 0.75 C ATOM 1412 CD1 LEU A 85 1.225 -7.974 0.129 1.00 0.98 C ATOM 1413 CD2 LEU A 85 -0.013 -9.857 -0.947 1.00 0.98 C ATOM 0 H LEU A 85 -2.393 -9.473 -2.797 1.00 0.69 H new ATOM 0 HA LEU A 85 -1.643 -6.596 -3.061 1.00 0.59 H new ATOM 0 HB2 LEU A 85 -0.499 -6.470 -1.071 1.00 0.67 H new ATOM 0 HB3 LEU A 85 -1.537 -7.780 -0.545 1.00 0.67 H new ATOM 0 HG LEU A 85 1.087 -8.329 -1.991 1.00 0.75 H new ATOM 0 HD11 LEU A 85 2.099 -8.614 0.253 1.00 0.98 H new ATOM 0 HD12 LEU A 85 1.547 -6.939 0.013 1.00 0.98 H new ATOM 0 HD13 LEU A 85 0.585 -8.059 1.008 1.00 0.98 H new ATOM 0 HD21 LEU A 85 0.857 -10.503 -0.828 1.00 0.98 H new ATOM 0 HD22 LEU A 85 -0.649 -9.939 -0.066 1.00 0.98 H new ATOM 0 HD23 LEU A 85 -0.575 -10.163 -1.829 1.00 0.98 H new ATOM 1425 N ARG A 86 0.585 -7.405 -4.118 1.00 0.49 N ATOM 1426 CA ARG A 86 1.545 -7.906 -5.145 1.00 0.53 C ATOM 1427 C ARG A 86 2.984 -7.518 -4.787 1.00 0.52 C ATOM 1428 O ARG A 86 3.245 -6.922 -3.763 1.00 0.93 O ATOM 1429 CB ARG A 86 1.122 -7.227 -6.448 1.00 0.63 C ATOM 1430 CG ARG A 86 -0.399 -7.305 -6.597 1.00 0.79 C ATOM 1431 CD ARG A 86 -0.832 -6.516 -7.835 1.00 1.09 C ATOM 1432 NE ARG A 86 -2.067 -7.199 -8.312 1.00 1.63 N ATOM 1433 CZ ARG A 86 -2.235 -7.430 -9.586 1.00 2.14 C ATOM 1434 NH1 ARG A 86 -1.273 -7.970 -10.282 1.00 2.71 N ATOM 1435 NH2 ARG A 86 -3.364 -7.120 -10.162 1.00 2.54 N ATOM 0 H ARG A 86 0.780 -6.471 -3.757 1.00 0.49 H new ATOM 0 HA ARG A 86 1.525 -8.993 -5.218 1.00 0.53 H new ATOM 0 HB2 ARG A 86 1.445 -6.186 -6.449 1.00 0.63 H new ATOM 0 HB3 ARG A 86 1.606 -7.711 -7.296 1.00 0.63 H new ATOM 0 HG2 ARG A 86 -0.713 -8.345 -6.687 1.00 0.79 H new ATOM 0 HG3 ARG A 86 -0.883 -6.901 -5.708 1.00 0.79 H new ATOM 0 HD2 ARG A 86 -1.027 -5.472 -7.590 1.00 1.09 H new ATOM 0 HD3 ARG A 86 -0.056 -6.524 -8.600 1.00 1.09 H new ATOM 0 HE ARG A 86 -2.782 -7.486 -7.643 1.00 1.63 H new ATOM 0 HH11 ARG A 86 -0.391 -8.211 -9.831 1.00 2.71 H new ATOM 0 HH12 ARG A 86 -1.403 -8.151 -11.277 1.00 2.71 H new ATOM 0 HH21 ARG A 86 -4.115 -6.697 -9.617 1.00 2.54 H new ATOM 0 HH22 ARG A 86 -3.495 -7.300 -11.157 1.00 2.54 H new ATOM 1449 N PHE A 87 3.914 -7.865 -5.635 1.00 0.39 N ATOM 1450 CA PHE A 87 5.348 -7.538 -5.377 1.00 0.35 C ATOM 1451 C PHE A 87 6.092 -7.430 -6.709 1.00 0.42 C ATOM 1452 O PHE A 87 6.993 -8.199 -6.984 1.00 0.58 O ATOM 1453 CB PHE A 87 5.886 -8.720 -4.562 1.00 0.43 C ATOM 1454 CG PHE A 87 4.935 -9.033 -3.429 1.00 0.44 C ATOM 1455 CD1 PHE A 87 3.868 -9.920 -3.635 1.00 0.49 C ATOM 1456 CD2 PHE A 87 5.112 -8.433 -2.176 1.00 0.60 C ATOM 1457 CE1 PHE A 87 2.980 -10.202 -2.591 1.00 0.53 C ATOM 1458 CE2 PHE A 87 4.226 -8.719 -1.134 1.00 0.68 C ATOM 1459 CZ PHE A 87 3.161 -9.600 -1.341 1.00 0.62 C ATOM 0 H PHE A 87 3.740 -8.367 -6.506 1.00 0.39 H new ATOM 0 HA PHE A 87 5.475 -6.592 -4.850 1.00 0.35 H new ATOM 0 HB2 PHE A 87 6.002 -9.593 -5.204 1.00 0.43 H new ATOM 0 HB3 PHE A 87 6.873 -8.482 -4.166 1.00 0.43 H new ATOM 0 HD1 PHE A 87 3.732 -10.386 -4.600 1.00 0.49 H new ATOM 0 HD2 PHE A 87 5.933 -7.750 -2.015 1.00 0.60 H new ATOM 0 HE1 PHE A 87 2.157 -10.883 -2.750 1.00 0.53 H new ATOM 0 HE2 PHE A 87 4.364 -8.258 -0.167 1.00 0.68 H new ATOM 0 HZ PHE A 87 2.476 -9.817 -0.534 1.00 0.62 H new ATOM 1469 N ASN A 88 5.734 -6.488 -7.548 1.00 0.45 N ATOM 1470 CA ASN A 88 6.448 -6.367 -8.853 1.00 0.60 C ATOM 1471 C ASN A 88 6.400 -4.940 -9.382 1.00 0.70 C ATOM 1472 O ASN A 88 6.269 -3.988 -8.638 1.00 0.87 O ATOM 1473 CB ASN A 88 5.742 -7.287 -9.839 1.00 0.98 C ATOM 1474 CG ASN A 88 5.276 -8.569 -9.144 1.00 1.20 C ATOM 1475 OD1 ASN A 88 6.069 -9.445 -8.861 1.00 1.74 O ATOM 1476 ND2 ASN A 88 4.012 -8.717 -8.853 1.00 1.83 N ATOM 0 H ASN A 88 4.990 -5.809 -7.388 1.00 0.45 H new ATOM 0 HA ASN A 88 7.496 -6.638 -8.723 1.00 0.60 H new ATOM 0 HB2 ASN A 88 4.886 -6.772 -10.276 1.00 0.98 H new ATOM 0 HB3 ASN A 88 6.416 -7.536 -10.659 1.00 0.98 H new ATOM 0 HD21 ASN A 88 3.692 -9.567 -8.389 1.00 1.83 H new ATOM 0 HD22 ASN A 88 3.345 -7.983 -9.090 1.00 1.83 H new ATOM 1483 N GLY A 89 6.549 -4.786 -10.670 1.00 0.85 N ATOM 1484 CA GLY A 89 6.577 -3.420 -11.244 1.00 1.20 C ATOM 1485 C GLY A 89 7.868 -2.797 -10.736 1.00 1.26 C ATOM 1486 O GLY A 89 7.863 -1.746 -10.128 1.00 1.28 O ATOM 0 H GLY A 89 6.652 -5.546 -11.343 1.00 0.85 H new ATOM 0 HA2 GLY A 89 6.557 -3.451 -12.333 1.00 1.20 H new ATOM 0 HA3 GLY A 89 5.710 -2.842 -10.926 1.00 1.20 H new ATOM 1490 N PRO A 90 8.935 -3.523 -10.957 1.00 1.35 N ATOM 1491 CA PRO A 90 10.260 -3.101 -10.461 1.00 1.47 C ATOM 1492 C PRO A 90 10.770 -1.854 -11.184 1.00 1.72 C ATOM 1493 O PRO A 90 10.105 -1.290 -12.030 1.00 2.23 O ATOM 1494 CB PRO A 90 11.158 -4.306 -10.742 1.00 1.65 C ATOM 1495 CG PRO A 90 10.485 -5.028 -11.860 1.00 1.73 C ATOM 1496 CD PRO A 90 9.006 -4.793 -11.694 1.00 1.44 C ATOM 0 HA PRO A 90 10.235 -2.826 -9.406 1.00 1.47 H new ATOM 0 HB2 PRO A 90 12.164 -3.993 -11.022 1.00 1.65 H new ATOM 0 HB3 PRO A 90 11.255 -4.941 -9.862 1.00 1.65 H new ATOM 0 HG2 PRO A 90 10.831 -4.657 -12.825 1.00 1.73 H new ATOM 0 HG3 PRO A 90 10.714 -6.093 -11.827 1.00 1.73 H new ATOM 0 HD2 PRO A 90 8.501 -4.726 -12.657 1.00 1.44 H new ATOM 0 HD3 PRO A 90 8.531 -5.604 -11.141 1.00 1.44 H new ATOM 1504 N VAL A 91 11.954 -1.424 -10.844 1.00 1.44 N ATOM 1505 CA VAL A 91 12.538 -0.222 -11.482 1.00 1.71 C ATOM 1506 C VAL A 91 12.896 -0.512 -12.943 1.00 1.99 C ATOM 1507 O VAL A 91 13.353 -1.611 -13.213 1.00 2.22 O ATOM 1508 CB VAL A 91 13.793 0.046 -10.658 1.00 1.52 C ATOM 1509 CG1 VAL A 91 13.396 0.418 -9.228 1.00 1.53 C ATOM 1510 CG2 VAL A 91 14.659 -1.216 -10.628 1.00 1.76 C ATOM 0 H VAL A 91 12.546 -1.865 -10.140 1.00 1.44 H new ATOM 0 HA VAL A 91 11.856 0.628 -11.500 1.00 1.71 H new ATOM 0 HB VAL A 91 14.353 0.866 -11.107 1.00 1.52 H new ATOM 0 HG11 VAL A 91 14.293 0.609 -8.639 1.00 1.53 H new ATOM 0 HG12 VAL A 91 12.775 1.313 -9.244 1.00 1.53 H new ATOM 0 HG13 VAL A 91 12.837 -0.404 -8.780 1.00 1.53 H new ATOM 0 HG21 VAL A 91 15.557 -1.027 -10.040 1.00 1.76 H new ATOM 0 HG22 VAL A 91 14.095 -2.033 -10.178 1.00 1.76 H new ATOM 0 HG23 VAL A 91 14.942 -1.487 -11.645 1.00 1.76 H new