USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 754 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 67 GLN : amide:sc= 0 X(o=-0.71,f=-0.7) USER MOD Set 1.2: A 68 HIS : no HE2:sc= -0.712 K(o=-0.71,f=-3.2) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 75 SER OG : rot 180:sc= -0.0981 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -153:sc= -0.068 (180deg=-0.357) USER MOD Set 3.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.0843 K(o=-0.084,f=-1.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 143:sc= -0.409 (180deg=-1.45!) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= 0.0806 (180deg=-0.283) USER MOD Single : A 28 ASN : amide:sc=-0.000948 X(o=-0.00095,f=-0.054) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= -0.0508 (180deg=-0.527) USER MOD Single : A 39 ASN : amide:sc= -6.22! C(o=-6.2!,f=-16!) USER MOD Single : A 43 THR OG1 : rot -34:sc= 0.605 USER MOD Single : A 44 MET CE :methyl -137:sc= -0.461 (180deg=-1.05) USER MOD Single : A 49 ASN : amide:sc= -7.98! C(o=-8!,f=-18!) USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.00186 (180deg=-0.311) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.521 K(o=-0.52,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 170:sc= -5.31! (180deg=-5.55!) USER MOD Single : A 79 SER OG : rot 101:sc= 0.0101 USER MOD Single : A 81 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0779) USER MOD Single : A 83 ASN : amide:sc=-0.00194 X(o=-0.0019,f=-0.023) USER MOD Single : A 84 TYR OH : rot -130:sc= -1.79! USER MOD Single : A 85 THR OG1 : rot 76:sc= 0.467 USER MOD Single : A 90 ASN : amide:sc= -1.88 X(o=-1.9,f=-1.7) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -135:sc= 0.791 USER MOD Single : A 96 ASN : amide:sc= -0.808 K(o=-0.81,f=-0.19) USER MOD Single : A 97 HIS : no HD1:sc= -1.62 X(o=-1.6,f=-1.6) USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00105 USER MOD Single : A 99 TYR OH : rot 31:sc= 0.0663 USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N ASN A 5 0.595 21.808 -3.121 1.00 0.76 N ATOM 16 CA ASN A 5 0.693 21.487 -1.698 1.00 0.53 C ATOM 17 C ASN A 5 -0.052 20.195 -1.376 1.00 0.49 C ATOM 18 O ASN A 5 -0.309 19.378 -2.261 1.00 0.60 O ATOM 19 CB ASN A 5 0.155 22.626 -0.809 1.00 0.52 C ATOM 20 CG ASN A 5 -0.074 23.934 -1.549 1.00 0.63 C ATOM 21 OD1 ASN A 5 -1.154 24.176 -2.087 1.00 1.19 O ATOM 22 ND2 ASN A 5 0.946 24.784 -1.578 1.00 1.41 N ATOM 0 HA ASN A 5 1.753 21.356 -1.480 1.00 0.53 H new ATOM 0 HB2 ASN A 5 -0.784 22.307 -0.357 1.00 0.52 H new ATOM 0 HB3 ASN A 5 0.858 22.800 0.006 1.00 0.52 H new ATOM 0 HD21 ASN A 5 0.851 25.678 -2.060 1.00 1.41 H new ATOM 0 HD22 ASN A 5 1.824 24.543 -1.118 1.00 1.41 H new ATOM 29 N LYS A 6 -0.381 20.008 -0.099 1.00 0.45 N ATOM 30 CA LYS A 6 -1.076 18.812 0.344 1.00 0.49 C ATOM 31 C LYS A 6 -2.588 19.015 0.402 1.00 0.49 C ATOM 32 O LYS A 6 -3.083 19.967 1.004 1.00 0.56 O ATOM 33 CB LYS A 6 -0.563 18.397 1.718 1.00 0.64 C ATOM 34 CG LYS A 6 0.662 17.502 1.665 1.00 1.28 C ATOM 35 CD LYS A 6 1.935 18.316 1.500 1.00 1.76 C ATOM 36 CE LYS A 6 3.092 17.702 2.268 1.00 2.52 C ATOM 37 NZ LYS A 6 4.301 18.570 2.234 1.00 3.06 N ATOM 0 H LYS A 6 -0.174 20.674 0.645 1.00 0.45 H new ATOM 0 HA LYS A 6 -0.875 18.027 -0.384 1.00 0.49 H new ATOM 0 HB2 LYS A 6 -0.324 19.292 2.293 1.00 0.64 H new ATOM 0 HB3 LYS A 6 -1.359 17.878 2.252 1.00 0.64 H new ATOM 0 HG2 LYS A 6 0.722 16.910 2.578 1.00 1.28 H new ATOM 0 HG3 LYS A 6 0.567 16.800 0.836 1.00 1.28 H new ATOM 0 HD2 LYS A 6 2.192 18.381 0.443 1.00 1.76 H new ATOM 0 HD3 LYS A 6 1.765 19.334 1.849 1.00 1.76 H new ATOM 0 HE2 LYS A 6 2.793 17.535 3.303 1.00 2.52 H new ATOM 0 HE3 LYS A 6 3.333 16.727 1.844 1.00 2.52 H new ATOM 0 HZ1 LYS A 6 5.153 17.983 2.339 1.00 3.06 H new ATOM 0 HZ2 LYS A 6 4.340 19.076 1.326 1.00 3.06 H new ATOM 0 HZ3 LYS A 6 4.256 19.258 3.013 1.00 3.06 H new ATOM 51 N ARG A 7 -3.305 18.081 -0.206 1.00 0.50 N ATOM 52 CA ARG A 7 -4.758 18.090 -0.228 1.00 0.52 C ATOM 53 C ARG A 7 -5.260 16.649 -0.268 1.00 0.47 C ATOM 54 O ARG A 7 -4.923 15.889 -1.184 1.00 0.43 O ATOM 55 CB ARG A 7 -5.292 18.868 -1.433 1.00 0.57 C ATOM 56 CG ARG A 7 -5.044 20.365 -1.351 1.00 0.77 C ATOM 57 CD ARG A 7 -3.616 20.708 -1.739 1.00 0.64 C ATOM 58 NE ARG A 7 -3.559 21.732 -2.780 1.00 0.98 N ATOM 59 CZ ARG A 7 -3.743 21.482 -4.071 1.00 1.66 C ATOM 60 NH1 ARG A 7 -4.001 20.246 -4.479 1.00 2.46 N ATOM 61 NH2 ARG A 7 -3.673 22.466 -4.957 1.00 2.11 N ATOM 0 H ARG A 7 -2.891 17.291 -0.701 1.00 0.50 H new ATOM 0 HA ARG A 7 -5.121 18.588 0.671 1.00 0.52 H new ATOM 0 HB2 ARG A 7 -4.827 18.481 -2.340 1.00 0.57 H new ATOM 0 HB3 ARG A 7 -6.364 18.690 -1.523 1.00 0.57 H new ATOM 0 HG2 ARG A 7 -5.738 20.888 -2.009 1.00 0.77 H new ATOM 0 HG3 ARG A 7 -5.242 20.714 -0.338 1.00 0.77 H new ATOM 0 HD2 ARG A 7 -3.076 21.056 -0.859 1.00 0.64 H new ATOM 0 HD3 ARG A 7 -3.110 19.808 -2.088 1.00 0.64 H new ATOM 0 HE ARG A 7 -3.367 22.694 -2.499 1.00 0.98 H new ATOM 0 HH11 ARG A 7 -4.058 19.486 -3.801 1.00 2.46 H new ATOM 0 HH12 ARG A 7 -4.142 20.055 -5.471 1.00 2.46 H new ATOM 0 HH21 ARG A 7 -3.477 23.418 -4.647 1.00 2.11 H new ATOM 0 HH22 ARG A 7 -3.815 22.271 -5.948 1.00 2.11 H new ATOM 75 N ALA A 8 -6.048 16.279 0.739 1.00 0.50 N ATOM 76 CA ALA A 8 -6.586 14.925 0.856 1.00 0.47 C ATOM 77 C ALA A 8 -7.002 14.345 -0.499 1.00 0.44 C ATOM 78 O ALA A 8 -7.850 14.911 -1.189 1.00 0.56 O ATOM 79 CB ALA A 8 -7.769 14.916 1.813 1.00 0.54 C ATOM 0 H ALA A 8 -6.331 16.905 1.493 1.00 0.50 H new ATOM 0 HA ALA A 8 -5.790 14.292 1.249 1.00 0.47 H new ATOM 0 HB1 ALA A 8 -8.164 13.903 1.894 1.00 0.54 H new ATOM 0 HB2 ALA A 8 -7.445 15.259 2.796 1.00 0.54 H new ATOM 0 HB3 ALA A 8 -8.547 15.579 1.436 1.00 0.54 H new ATOM 85 N PRO A 9 -6.412 13.203 -0.897 1.00 0.36 N ATOM 86 CA PRO A 9 -6.725 12.551 -2.157 1.00 0.37 C ATOM 87 C PRO A 9 -7.874 11.558 -2.022 1.00 0.37 C ATOM 88 O PRO A 9 -7.839 10.661 -1.179 1.00 0.40 O ATOM 89 CB PRO A 9 -5.422 11.830 -2.496 1.00 0.39 C ATOM 90 CG PRO A 9 -4.779 11.526 -1.177 1.00 0.51 C ATOM 91 CD PRO A 9 -5.391 12.450 -0.146 1.00 0.41 C ATOM 0 HA PRO A 9 -7.053 13.254 -2.922 1.00 0.37 H new ATOM 0 HB2 PRO A 9 -5.614 10.917 -3.059 1.00 0.39 H new ATOM 0 HB3 PRO A 9 -4.776 12.455 -3.113 1.00 0.39 H new ATOM 0 HG2 PRO A 9 -4.943 10.484 -0.902 1.00 0.51 H new ATOM 0 HG3 PRO A 9 -3.701 11.675 -1.233 1.00 0.51 H new ATOM 0 HD2 PRO A 9 -5.834 11.890 0.677 1.00 0.41 H new ATOM 0 HD3 PRO A 9 -4.644 13.115 0.287 1.00 0.41 H new ATOM 99 N TYR A 10 -8.895 11.729 -2.856 1.00 0.38 N ATOM 100 CA TYR A 10 -10.058 10.853 -2.828 1.00 0.41 C ATOM 101 C TYR A 10 -9.807 9.585 -3.636 1.00 0.38 C ATOM 102 O TYR A 10 -9.439 9.647 -4.810 1.00 0.44 O ATOM 103 CB TYR A 10 -11.286 11.588 -3.368 1.00 0.49 C ATOM 104 CG TYR A 10 -11.633 12.836 -2.589 1.00 1.15 C ATOM 105 CD1 TYR A 10 -10.909 14.010 -2.762 1.00 1.90 C ATOM 106 CD2 TYR A 10 -12.682 12.839 -1.677 1.00 2.02 C ATOM 107 CE1 TYR A 10 -11.221 15.151 -2.050 1.00 2.78 C ATOM 108 CE2 TYR A 10 -12.999 13.978 -0.961 1.00 2.96 C ATOM 109 CZ TYR A 10 -12.266 15.131 -1.150 1.00 3.18 C ATOM 110 OH TYR A 10 -12.578 16.266 -0.438 1.00 4.20 O ATOM 0 H TYR A 10 -8.939 12.467 -3.559 1.00 0.38 H new ATOM 0 HA TYR A 10 -10.242 10.566 -1.793 1.00 0.41 H new ATOM 0 HB2 TYR A 10 -11.110 11.857 -4.410 1.00 0.49 H new ATOM 0 HB3 TYR A 10 -12.140 10.911 -3.354 1.00 0.49 H new ATOM 0 HD1 TYR A 10 -10.089 14.030 -3.465 1.00 1.90 H new ATOM 0 HD2 TYR A 10 -13.258 11.938 -1.526 1.00 2.02 H new ATOM 0 HE1 TYR A 10 -10.649 16.055 -2.197 1.00 2.78 H new ATOM 0 HE2 TYR A 10 -13.817 13.965 -0.256 1.00 2.96 H new ATOM 0 HH TYR A 10 -13.340 16.084 0.151 1.00 4.20 H new ATOM 120 N TRP A 11 -10.005 8.438 -2.998 1.00 0.47 N ATOM 121 CA TRP A 11 -9.798 7.151 -3.650 1.00 0.49 C ATOM 122 C TRP A 11 -10.597 7.060 -4.945 1.00 0.42 C ATOM 123 O TRP A 11 -11.732 7.532 -5.022 1.00 0.45 O ATOM 124 CB TRP A 11 -10.201 6.012 -2.712 1.00 0.60 C ATOM 125 CG TRP A 11 -11.634 6.078 -2.281 1.00 0.83 C ATOM 126 CD1 TRP A 11 -12.138 6.785 -1.227 1.00 1.71 C ATOM 127 CD2 TRP A 11 -12.746 5.414 -2.891 1.00 1.65 C ATOM 128 NE1 TRP A 11 -13.498 6.600 -1.145 1.00 2.26 N ATOM 129 CE2 TRP A 11 -13.895 5.764 -2.154 1.00 2.17 C ATOM 130 CE3 TRP A 11 -12.883 4.560 -3.988 1.00 2.60 C ATOM 131 CZ2 TRP A 11 -15.162 5.286 -2.481 1.00 3.03 C ATOM 132 CZ3 TRP A 11 -14.142 4.087 -4.311 1.00 3.54 C ATOM 133 CH2 TRP A 11 -15.266 4.451 -3.560 1.00 3.60 C ATOM 0 H TRP A 11 -10.310 8.373 -2.027 1.00 0.47 H new ATOM 0 HA TRP A 11 -8.739 7.061 -3.891 1.00 0.49 H new ATOM 0 HB2 TRP A 11 -10.022 5.059 -3.211 1.00 0.60 H new ATOM 0 HB3 TRP A 11 -9.562 6.034 -1.829 1.00 0.60 H new ATOM 0 HD1 TRP A 11 -11.555 7.399 -0.557 1.00 1.71 H new ATOM 0 HE1 TRP A 11 -14.112 7.018 -0.446 1.00 2.26 H new ATOM 0 HE3 TRP A 11 -12.021 4.274 -4.573 1.00 2.60 H new ATOM 0 HZ2 TRP A 11 -16.031 5.565 -1.904 1.00 3.03 H new ATOM 0 HZ3 TRP A 11 -14.260 3.426 -5.157 1.00 3.54 H new ATOM 0 HH2 TRP A 11 -16.235 4.065 -3.838 1.00 3.60 H new ATOM 144 N THR A 12 -10.001 6.443 -5.958 1.00 0.45 N ATOM 145 CA THR A 12 -10.659 6.281 -7.250 1.00 0.50 C ATOM 146 C THR A 12 -11.307 4.906 -7.352 1.00 0.55 C ATOM 147 O THR A 12 -12.523 4.790 -7.498 1.00 0.64 O ATOM 148 CB THR A 12 -9.666 6.459 -8.413 1.00 0.61 C ATOM 149 OG1 THR A 12 -8.697 7.459 -8.085 1.00 1.28 O ATOM 150 CG2 THR A 12 -10.392 6.851 -9.692 1.00 1.23 C ATOM 0 H THR A 12 -9.063 6.046 -5.910 1.00 0.45 H new ATOM 0 HA THR A 12 -11.425 7.053 -7.322 1.00 0.50 H new ATOM 0 HB THR A 12 -9.162 5.506 -8.577 1.00 0.61 H new ATOM 0 HG1 THR A 12 -8.069 7.563 -8.830 1.00 1.28 H new ATOM 0 HG21 THR A 12 -9.669 6.971 -10.499 1.00 1.23 H new ATOM 0 HG22 THR A 12 -11.107 6.072 -9.958 1.00 1.23 H new ATOM 0 HG23 THR A 12 -10.921 7.791 -9.536 1.00 1.23 H new ATOM 158 N ASN A 13 -10.485 3.865 -7.262 1.00 0.56 N ATOM 159 CA ASN A 13 -10.972 2.495 -7.331 1.00 0.66 C ATOM 160 C ASN A 13 -11.051 1.880 -5.936 1.00 0.63 C ATOM 161 O ASN A 13 -10.131 2.029 -5.132 1.00 0.58 O ATOM 162 CB ASN A 13 -10.064 1.648 -8.224 1.00 0.73 C ATOM 163 CG ASN A 13 -9.815 2.292 -9.574 1.00 1.35 C ATOM 164 OD1 ASN A 13 -9.072 3.267 -9.682 1.00 2.05 O ATOM 165 ND2 ASN A 13 -10.437 1.747 -10.613 1.00 1.96 N ATOM 0 H ASN A 13 -9.476 3.947 -7.141 1.00 0.56 H new ATOM 0 HA ASN A 13 -11.973 2.513 -7.762 1.00 0.66 H new ATOM 0 HB2 ASN A 13 -9.111 1.488 -7.720 1.00 0.73 H new ATOM 0 HB3 ASN A 13 -10.516 0.667 -8.371 1.00 0.73 H new ATOM 0 HD21 ASN A 13 -10.307 2.137 -11.547 1.00 1.96 H new ATOM 0 HD22 ASN A 13 -11.044 0.939 -10.477 1.00 1.96 H new ATOM 172 N THR A 14 -12.149 1.187 -5.654 1.00 0.74 N ATOM 173 CA THR A 14 -12.332 0.551 -4.355 1.00 0.78 C ATOM 174 C THR A 14 -11.311 -0.562 -4.151 1.00 0.76 C ATOM 175 O THR A 14 -11.142 -1.428 -5.014 1.00 0.78 O ATOM 176 CB THR A 14 -13.749 -0.033 -4.207 1.00 0.92 C ATOM 177 OG1 THR A 14 -14.564 0.365 -5.317 1.00 1.06 O ATOM 178 CG2 THR A 14 -14.392 0.435 -2.910 1.00 1.15 C ATOM 0 H THR A 14 -12.923 1.052 -6.305 1.00 0.74 H new ATOM 0 HA THR A 14 -12.189 1.322 -3.598 1.00 0.78 H new ATOM 0 HB THR A 14 -13.669 -1.120 -4.187 1.00 0.92 H new ATOM 0 HG1 THR A 14 -15.463 -0.012 -5.215 1.00 1.06 H new ATOM 0 HG21 THR A 14 -15.392 0.011 -2.826 1.00 1.15 H new ATOM 0 HG22 THR A 14 -13.787 0.107 -2.065 1.00 1.15 H new ATOM 0 HG23 THR A 14 -14.458 1.523 -2.909 1.00 1.15 H new ATOM 186 N GLU A 15 -10.661 -0.571 -2.992 1.00 0.76 N ATOM 187 CA GLU A 15 -9.689 -1.612 -2.683 1.00 0.77 C ATOM 188 C GLU A 15 -10.398 -2.890 -2.253 1.00 0.82 C ATOM 189 O GLU A 15 -9.794 -3.963 -2.213 1.00 0.82 O ATOM 190 CB GLU A 15 -8.732 -1.152 -1.581 1.00 0.79 C ATOM 191 CG GLU A 15 -8.433 0.340 -1.612 1.00 1.35 C ATOM 192 CD GLU A 15 -8.971 1.067 -0.395 1.00 1.75 C ATOM 193 OE1 GLU A 15 -10.182 1.378 -0.378 1.00 2.06 O ATOM 194 OE2 GLU A 15 -8.186 1.324 0.539 1.00 2.50 O ATOM 0 H GLU A 15 -10.788 0.125 -2.257 1.00 0.76 H new ATOM 0 HA GLU A 15 -9.111 -1.813 -3.585 1.00 0.77 H new ATOM 0 HB2 GLU A 15 -9.159 -1.408 -0.611 1.00 0.79 H new ATOM 0 HB3 GLU A 15 -7.796 -1.703 -1.672 1.00 0.79 H new ATOM 0 HG2 GLU A 15 -7.355 0.490 -1.673 1.00 1.35 H new ATOM 0 HG3 GLU A 15 -8.867 0.775 -2.512 1.00 1.35 H new ATOM 201 N LYS A 16 -11.694 -2.777 -1.963 1.00 0.88 N ATOM 202 CA LYS A 16 -12.478 -3.930 -1.572 1.00 0.95 C ATOM 203 C LYS A 16 -12.718 -4.827 -2.783 1.00 0.98 C ATOM 204 O LYS A 16 -13.023 -6.011 -2.640 1.00 1.01 O ATOM 205 CB LYS A 16 -13.814 -3.495 -0.966 1.00 1.04 C ATOM 206 CG LYS A 16 -14.579 -4.628 -0.300 1.00 1.44 C ATOM 207 CD LYS A 16 -14.865 -4.323 1.161 1.00 1.61 C ATOM 208 CE LYS A 16 -14.074 -5.235 2.085 1.00 2.37 C ATOM 209 NZ LYS A 16 -13.012 -4.494 2.820 1.00 2.83 N ATOM 0 H LYS A 16 -12.214 -1.900 -1.993 1.00 0.88 H new ATOM 0 HA LYS A 16 -11.925 -4.488 -0.816 1.00 0.95 H new ATOM 0 HB2 LYS A 16 -13.632 -2.710 -0.232 1.00 1.04 H new ATOM 0 HB3 LYS A 16 -14.434 -3.061 -1.750 1.00 1.04 H new ATOM 0 HG2 LYS A 16 -15.518 -4.795 -0.829 1.00 1.44 H new ATOM 0 HG3 LYS A 16 -14.003 -5.550 -0.374 1.00 1.44 H new ATOM 0 HD2 LYS A 16 -14.615 -3.283 1.373 1.00 1.61 H new ATOM 0 HD3 LYS A 16 -15.931 -4.441 1.357 1.00 1.61 H new ATOM 0 HE2 LYS A 16 -14.751 -5.703 2.800 1.00 2.37 H new ATOM 0 HE3 LYS A 16 -13.620 -6.037 1.503 1.00 2.37 H new ATOM 0 HZ1 LYS A 16 -12.495 -5.151 3.439 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -12.351 -4.068 2.139 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -13.447 -3.745 3.396 1.00 2.83 H new ATOM 223 N MET A 17 -12.565 -4.256 -3.981 1.00 0.98 N ATOM 224 CA MET A 17 -12.748 -5.009 -5.212 1.00 1.04 C ATOM 225 C MET A 17 -11.446 -5.048 -6.006 1.00 1.03 C ATOM 226 O MET A 17 -11.453 -5.268 -7.217 1.00 1.17 O ATOM 227 CB MET A 17 -13.860 -4.386 -6.059 1.00 1.21 C ATOM 228 CG MET A 17 -15.094 -4.007 -5.257 1.00 1.44 C ATOM 229 SD MET A 17 -16.520 -3.650 -6.304 1.00 1.83 S ATOM 230 CE MET A 17 -16.698 -5.203 -7.178 1.00 2.16 C ATOM 0 H MET A 17 -12.315 -3.277 -4.118 1.00 0.98 H new ATOM 0 HA MET A 17 -13.034 -6.029 -4.954 1.00 1.04 H new ATOM 0 HB2 MET A 17 -13.472 -3.497 -6.556 1.00 1.21 H new ATOM 0 HB3 MET A 17 -14.147 -5.089 -6.841 1.00 1.21 H new ATOM 0 HG2 MET A 17 -15.343 -4.820 -4.575 1.00 1.44 H new ATOM 0 HG3 MET A 17 -14.870 -3.134 -4.644 1.00 1.44 H new ATOM 0 HE1 MET A 17 -17.756 -5.422 -7.319 1.00 2.16 H new ATOM 0 HE2 MET A 17 -16.210 -5.132 -8.150 1.00 2.16 H new ATOM 0 HE3 MET A 17 -16.236 -6.002 -6.598 1.00 2.16 H new ATOM 240 N GLU A 18 -10.329 -4.836 -5.312 1.00 0.95 N ATOM 241 CA GLU A 18 -9.020 -4.848 -5.949 1.00 1.06 C ATOM 242 C GLU A 18 -8.141 -5.941 -5.350 1.00 0.96 C ATOM 243 O GLU A 18 -7.826 -6.927 -6.013 1.00 1.57 O ATOM 244 CB GLU A 18 -8.340 -3.488 -5.793 1.00 1.43 C ATOM 245 CG GLU A 18 -7.479 -3.097 -6.984 1.00 1.29 C ATOM 246 CD GLU A 18 -8.302 -2.774 -8.216 1.00 2.13 C ATOM 247 OE1 GLU A 18 -9.170 -1.880 -8.133 1.00 2.56 O ATOM 248 OE2 GLU A 18 -8.078 -3.416 -9.264 1.00 2.88 O ATOM 0 H GLU A 18 -10.308 -4.654 -4.309 1.00 0.95 H new ATOM 0 HA GLU A 18 -9.159 -5.054 -7.010 1.00 1.06 H new ATOM 0 HB2 GLU A 18 -9.103 -2.725 -5.641 1.00 1.43 H new ATOM 0 HB3 GLU A 18 -7.720 -3.502 -4.896 1.00 1.43 H new ATOM 0 HG2 GLU A 18 -6.871 -2.231 -6.720 1.00 1.29 H new ATOM 0 HG3 GLU A 18 -6.791 -3.911 -7.214 1.00 1.29 H new ATOM 255 N LYS A 19 -7.742 -5.756 -4.095 1.00 0.84 N ATOM 256 CA LYS A 19 -6.892 -6.733 -3.426 1.00 1.08 C ATOM 257 C LYS A 19 -7.180 -6.827 -1.930 1.00 0.87 C ATOM 258 O LYS A 19 -6.419 -6.311 -1.114 1.00 0.87 O ATOM 259 CB LYS A 19 -5.417 -6.390 -3.641 1.00 1.66 C ATOM 260 CG LYS A 19 -4.465 -7.476 -3.169 1.00 2.57 C ATOM 261 CD LYS A 19 -4.406 -8.633 -4.152 1.00 2.87 C ATOM 262 CE LYS A 19 -3.496 -9.742 -3.651 1.00 3.55 C ATOM 263 NZ LYS A 19 -2.113 -9.253 -3.396 1.00 4.14 N ATOM 0 H LYS A 19 -7.991 -4.947 -3.526 1.00 0.84 H new ATOM 0 HA LYS A 19 -7.116 -7.703 -3.869 1.00 1.08 H new ATOM 0 HB2 LYS A 19 -5.247 -6.205 -4.702 1.00 1.66 H new ATOM 0 HB3 LYS A 19 -5.188 -5.463 -3.115 1.00 1.66 H new ATOM 0 HG2 LYS A 19 -3.468 -7.056 -3.040 1.00 2.57 H new ATOM 0 HG3 LYS A 19 -4.785 -7.842 -2.193 1.00 2.57 H new ATOM 0 HD2 LYS A 19 -5.409 -9.028 -4.312 1.00 2.87 H new ATOM 0 HD3 LYS A 19 -4.047 -8.274 -5.117 1.00 2.87 H new ATOM 0 HE2 LYS A 19 -3.907 -10.162 -2.733 1.00 3.55 H new ATOM 0 HE3 LYS A 19 -3.467 -10.547 -4.385 1.00 3.55 H new ATOM 0 HZ1 LYS A 19 -1.427 -9.952 -3.746 1.00 4.14 H new ATOM 0 HZ2 LYS A 19 -1.968 -8.349 -3.889 1.00 4.14 H new ATOM 0 HZ3 LYS A 19 -1.976 -9.116 -2.374 1.00 4.14 H new ATOM 277 N ARG A 20 -8.259 -7.520 -1.569 1.00 0.98 N ATOM 278 CA ARG A 20 -8.590 -7.704 -0.159 1.00 0.92 C ATOM 279 C ARG A 20 -8.491 -9.177 0.219 1.00 0.94 C ATOM 280 O ARG A 20 -7.383 -9.665 0.408 1.00 1.30 O ATOM 281 CB ARG A 20 -9.961 -7.124 0.212 1.00 0.95 C ATOM 282 CG ARG A 20 -10.860 -6.811 -0.978 1.00 1.64 C ATOM 283 CD ARG A 20 -11.183 -8.059 -1.786 1.00 2.15 C ATOM 284 NE ARG A 20 -11.238 -7.789 -3.219 1.00 2.67 N ATOM 285 CZ ARG A 20 -11.762 -8.629 -4.106 1.00 3.29 C ATOM 286 NH1 ARG A 20 -12.291 -9.777 -3.702 1.00 3.51 N ATOM 287 NH2 ARG A 20 -11.762 -8.323 -5.396 1.00 4.11 N ATOM 0 H ARG A 20 -8.909 -7.957 -2.222 1.00 0.98 H new ATOM 0 HA ARG A 20 -7.858 -7.141 0.420 1.00 0.92 H new ATOM 0 HB2 ARG A 20 -10.476 -7.830 0.864 1.00 0.95 H new ATOM 0 HB3 ARG A 20 -9.811 -6.211 0.787 1.00 0.95 H new ATOM 0 HG2 ARG A 20 -11.786 -6.357 -0.625 1.00 1.64 H new ATOM 0 HG3 ARG A 20 -10.371 -6.079 -1.620 1.00 1.64 H new ATOM 0 HD2 ARG A 20 -10.429 -8.822 -1.590 1.00 2.15 H new ATOM 0 HD3 ARG A 20 -12.140 -8.465 -1.457 1.00 2.15 H new ATOM 0 HE ARG A 20 -10.853 -6.907 -3.559 1.00 2.67 H new ATOM 0 HH11 ARG A 20 -12.296 -10.015 -2.710 1.00 3.51 H new ATOM 0 HH12 ARG A 20 -12.693 -10.421 -4.383 1.00 3.51 H new ATOM 0 HH21 ARG A 20 -11.359 -7.440 -5.711 1.00 4.11 H new ATOM 0 HH22 ARG A 20 -12.165 -8.970 -6.074 1.00 4.11 H new ATOM 348 N VAL A 24 -1.991 -15.086 -1.224 1.00 0.78 N ATOM 349 CA VAL A 24 -0.659 -14.619 -1.589 1.00 0.74 C ATOM 350 C VAL A 24 0.315 -15.783 -1.774 1.00 0.68 C ATOM 351 O VAL A 24 0.501 -16.594 -0.866 1.00 0.77 O ATOM 352 CB VAL A 24 -0.092 -13.661 -0.524 1.00 0.81 C ATOM 353 CG1 VAL A 24 1.286 -13.162 -0.933 1.00 1.32 C ATOM 354 CG2 VAL A 24 -1.041 -12.496 -0.292 1.00 1.30 C ATOM 0 HA VAL A 24 -0.764 -14.089 -2.535 1.00 0.74 H new ATOM 0 HB VAL A 24 0.008 -14.209 0.413 1.00 0.81 H new ATOM 0 HG11 VAL A 24 1.670 -12.487 -0.168 1.00 1.32 H new ATOM 0 HG12 VAL A 24 1.963 -14.010 -1.041 1.00 1.32 H new ATOM 0 HG13 VAL A 24 1.214 -12.632 -1.883 1.00 1.32 H new ATOM 0 HG21 VAL A 24 -0.623 -11.831 0.463 1.00 1.30 H new ATOM 0 HG22 VAL A 24 -1.177 -11.947 -1.224 1.00 1.30 H new ATOM 0 HG23 VAL A 24 -2.004 -12.874 0.051 1.00 1.30 H new ATOM 364 N PRO A 25 0.961 -15.882 -2.952 1.00 0.61 N ATOM 365 CA PRO A 25 1.921 -16.952 -3.238 1.00 0.63 C ATOM 366 C PRO A 25 3.240 -16.757 -2.497 1.00 0.57 C ATOM 367 O PRO A 25 3.773 -15.649 -2.442 1.00 0.52 O ATOM 368 CB PRO A 25 2.141 -16.836 -4.746 1.00 0.72 C ATOM 369 CG PRO A 25 1.881 -15.402 -5.053 1.00 0.71 C ATOM 370 CD PRO A 25 0.810 -14.958 -4.094 1.00 0.65 C ATOM 0 HA PRO A 25 1.552 -17.927 -2.919 1.00 0.63 H new ATOM 0 HB2 PRO A 25 3.156 -17.123 -5.022 1.00 0.72 H new ATOM 0 HB3 PRO A 25 1.464 -17.489 -5.297 1.00 0.72 H new ATOM 0 HG2 PRO A 25 2.786 -14.807 -4.930 1.00 0.71 H new ATOM 0 HG3 PRO A 25 1.556 -15.277 -6.086 1.00 0.71 H new ATOM 0 HD2 PRO A 25 0.949 -13.920 -3.791 1.00 0.65 H new ATOM 0 HD3 PRO A 25 -0.182 -15.030 -4.540 1.00 0.65 H new ATOM 378 N ALA A 26 3.760 -17.838 -1.927 1.00 0.61 N ATOM 379 CA ALA A 26 5.017 -17.781 -1.191 1.00 0.60 C ATOM 380 C ALA A 26 6.208 -17.621 -2.133 1.00 0.54 C ATOM 381 O ALA A 26 6.260 -18.240 -3.195 1.00 0.58 O ATOM 382 CB ALA A 26 5.183 -19.029 -0.337 1.00 0.71 C ATOM 0 H ALA A 26 3.331 -18.763 -1.960 1.00 0.61 H new ATOM 0 HA ALA A 26 4.986 -16.906 -0.541 1.00 0.60 H new ATOM 0 HB1 ALA A 26 6.126 -18.974 0.208 1.00 0.71 H new ATOM 0 HB2 ALA A 26 4.358 -19.097 0.372 1.00 0.71 H new ATOM 0 HB3 ALA A 26 5.185 -19.911 -0.978 1.00 0.71 H new ATOM 388 N ALA A 27 7.162 -16.786 -1.732 1.00 0.50 N ATOM 389 CA ALA A 27 8.359 -16.541 -2.531 1.00 0.48 C ATOM 390 C ALA A 27 8.044 -15.707 -3.770 1.00 0.43 C ATOM 391 O ALA A 27 8.788 -15.732 -4.751 1.00 0.46 O ATOM 392 CB ALA A 27 9.006 -17.859 -2.931 1.00 0.55 C ATOM 0 H ALA A 27 7.129 -16.266 -0.855 1.00 0.50 H new ATOM 0 HA ALA A 27 9.059 -15.974 -1.917 1.00 0.48 H new ATOM 0 HB1 ALA A 27 9.897 -17.661 -3.526 1.00 0.55 H new ATOM 0 HB2 ALA A 27 9.284 -18.414 -2.035 1.00 0.55 H new ATOM 0 HB3 ALA A 27 8.301 -18.447 -3.518 1.00 0.55 H new ATOM 398 N ASN A 28 6.941 -14.967 -3.719 1.00 0.39 N ATOM 399 CA ASN A 28 6.533 -14.125 -4.838 1.00 0.36 C ATOM 400 C ASN A 28 6.367 -12.672 -4.400 1.00 0.30 C ATOM 401 O ASN A 28 6.322 -12.376 -3.206 1.00 0.29 O ATOM 402 CB ASN A 28 5.226 -14.638 -5.442 1.00 0.40 C ATOM 403 CG ASN A 28 5.333 -14.885 -6.933 1.00 0.77 C ATOM 404 OD1 ASN A 28 6.202 -15.627 -7.391 1.00 1.42 O ATOM 405 ND2 ASN A 28 4.448 -14.260 -7.702 1.00 1.36 N ATOM 0 H ASN A 28 6.314 -14.933 -2.915 1.00 0.39 H new ATOM 0 HA ASN A 28 7.317 -14.170 -5.594 1.00 0.36 H new ATOM 0 HB2 ASN A 28 4.938 -15.564 -4.944 1.00 0.40 H new ATOM 0 HB3 ASN A 28 4.433 -13.914 -5.253 1.00 0.40 H new ATOM 0 HD21 ASN A 28 4.472 -14.386 -8.714 1.00 1.36 H new ATOM 0 HD22 ASN A 28 3.744 -13.654 -7.281 1.00 1.36 H new ATOM 412 N THR A 29 6.263 -11.772 -5.373 1.00 0.30 N ATOM 413 CA THR A 29 6.089 -10.353 -5.085 1.00 0.28 C ATOM 414 C THR A 29 4.629 -10.045 -4.779 1.00 0.30 C ATOM 415 O THR A 29 3.724 -10.596 -5.406 1.00 0.33 O ATOM 416 CB THR A 29 6.557 -9.475 -6.260 1.00 0.32 C ATOM 417 OG1 THR A 29 5.547 -9.435 -7.277 1.00 0.96 O ATOM 418 CG2 THR A 29 7.854 -10.008 -6.848 1.00 0.92 C ATOM 0 H THR A 29 6.296 -12.000 -6.367 1.00 0.30 H new ATOM 0 HA THR A 29 6.703 -10.123 -4.214 1.00 0.28 H new ATOM 0 HB THR A 29 6.732 -8.467 -5.884 1.00 0.32 H new ATOM 0 HG1 THR A 29 5.852 -8.873 -8.019 1.00 0.96 H new ATOM 0 HG21 THR A 29 8.166 -9.372 -7.677 1.00 0.92 H new ATOM 0 HG22 THR A 29 8.628 -10.010 -6.080 1.00 0.92 H new ATOM 0 HG23 THR A 29 7.699 -11.025 -7.209 1.00 0.92 H new ATOM 426 N VAL A 30 4.400 -9.175 -3.800 1.00 0.33 N ATOM 427 CA VAL A 30 3.043 -8.818 -3.408 1.00 0.39 C ATOM 428 C VAL A 30 2.563 -7.543 -4.095 1.00 0.35 C ATOM 429 O VAL A 30 3.185 -6.486 -3.984 1.00 0.35 O ATOM 430 CB VAL A 30 2.925 -8.640 -1.884 1.00 0.47 C ATOM 431 CG1 VAL A 30 1.463 -8.561 -1.470 1.00 0.56 C ATOM 432 CG2 VAL A 30 3.632 -9.773 -1.155 1.00 0.57 C ATOM 0 H VAL A 30 5.133 -8.707 -3.267 1.00 0.33 H new ATOM 0 HA VAL A 30 2.410 -9.646 -3.726 1.00 0.39 H new ATOM 0 HB VAL A 30 3.411 -7.704 -1.607 1.00 0.47 H new ATOM 0 HG11 VAL A 30 1.397 -8.435 -0.389 1.00 0.56 H new ATOM 0 HG12 VAL A 30 0.990 -7.712 -1.964 1.00 0.56 H new ATOM 0 HG13 VAL A 30 0.953 -9.479 -1.760 1.00 0.56 H new ATOM 0 HG21 VAL A 30 3.537 -9.628 -0.079 1.00 0.57 H new ATOM 0 HG22 VAL A 30 3.179 -10.724 -1.435 1.00 0.57 H new ATOM 0 HG23 VAL A 30 4.687 -9.779 -1.428 1.00 0.57 H new ATOM 442 N LYS A 31 1.443 -7.661 -4.797 1.00 0.34 N ATOM 443 CA LYS A 31 0.851 -6.528 -5.502 1.00 0.33 C ATOM 444 C LYS A 31 -0.110 -5.773 -4.589 1.00 0.33 C ATOM 445 O LYS A 31 -1.105 -6.330 -4.126 1.00 0.38 O ATOM 446 CB LYS A 31 0.115 -7.009 -6.759 1.00 0.38 C ATOM 447 CG LYS A 31 -0.758 -5.946 -7.412 1.00 0.60 C ATOM 448 CD LYS A 31 -2.224 -6.123 -7.045 1.00 0.82 C ATOM 449 CE LYS A 31 -2.734 -7.502 -7.429 1.00 1.34 C ATOM 450 NZ LYS A 31 -2.211 -7.939 -8.754 1.00 1.98 N ATOM 0 H LYS A 31 0.923 -8.533 -4.894 1.00 0.34 H new ATOM 0 HA LYS A 31 1.652 -5.852 -5.800 1.00 0.33 H new ATOM 0 HB2 LYS A 31 0.849 -7.358 -7.486 1.00 0.38 H new ATOM 0 HB3 LYS A 31 -0.507 -7.865 -6.498 1.00 0.38 H new ATOM 0 HG2 LYS A 31 -0.421 -4.957 -7.102 1.00 0.60 H new ATOM 0 HG3 LYS A 31 -0.645 -5.996 -8.495 1.00 0.60 H new ATOM 0 HD2 LYS A 31 -2.352 -5.973 -5.973 1.00 0.82 H new ATOM 0 HD3 LYS A 31 -2.820 -5.361 -7.547 1.00 0.82 H new ATOM 0 HE2 LYS A 31 -2.439 -8.223 -6.667 1.00 1.34 H new ATOM 0 HE3 LYS A 31 -3.824 -7.492 -7.454 1.00 1.34 H new ATOM 0 HZ1 LYS A 31 -2.817 -8.693 -9.135 1.00 1.98 H new ATOM 0 HZ2 LYS A 31 -2.209 -7.132 -9.410 1.00 1.98 H new ATOM 0 HZ3 LYS A 31 -1.241 -8.297 -8.643 1.00 1.98 H new ATOM 464 N PHE A 32 0.187 -4.501 -4.339 1.00 0.31 N ATOM 465 CA PHE A 32 -0.665 -3.679 -3.487 1.00 0.35 C ATOM 466 C PHE A 32 -1.259 -2.517 -4.275 1.00 0.32 C ATOM 467 O PHE A 32 -0.533 -1.677 -4.808 1.00 0.32 O ATOM 468 CB PHE A 32 0.132 -3.138 -2.298 1.00 0.44 C ATOM 469 CG PHE A 32 0.736 -4.208 -1.434 1.00 0.90 C ATOM 470 CD1 PHE A 32 -0.059 -5.192 -0.867 1.00 1.64 C ATOM 471 CD2 PHE A 32 2.099 -4.227 -1.185 1.00 1.21 C ATOM 472 CE1 PHE A 32 0.495 -6.175 -0.069 1.00 2.28 C ATOM 473 CE2 PHE A 32 2.659 -5.207 -0.387 1.00 1.91 C ATOM 474 CZ PHE A 32 1.855 -6.182 0.171 1.00 2.35 C ATOM 0 H PHE A 32 1.006 -4.020 -4.712 1.00 0.31 H new ATOM 0 HA PHE A 32 -1.477 -4.306 -3.119 1.00 0.35 H new ATOM 0 HB2 PHE A 32 0.928 -2.492 -2.670 1.00 0.44 H new ATOM 0 HB3 PHE A 32 -0.523 -2.517 -1.686 1.00 0.44 H new ATOM 0 HD1 PHE A 32 -1.123 -5.190 -1.051 1.00 1.64 H new ATOM 0 HD2 PHE A 32 2.731 -3.467 -1.620 1.00 1.21 H new ATOM 0 HE1 PHE A 32 -0.135 -6.937 0.366 1.00 2.28 H new ATOM 0 HE2 PHE A 32 3.723 -5.210 -0.200 1.00 1.91 H new ATOM 0 HZ PHE A 32 2.290 -6.949 0.795 1.00 2.35 H new ATOM 484 N ARG A 33 -2.584 -2.481 -4.347 1.00 0.36 N ATOM 485 CA ARG A 33 -3.279 -1.427 -5.076 1.00 0.39 C ATOM 486 C ARG A 33 -3.950 -0.446 -4.119 1.00 0.40 C ATOM 487 O ARG A 33 -4.669 -0.846 -3.205 1.00 0.43 O ATOM 488 CB ARG A 33 -4.317 -2.040 -6.018 1.00 0.47 C ATOM 489 CG ARG A 33 -3.841 -2.152 -7.459 1.00 0.80 C ATOM 490 CD ARG A 33 -2.450 -2.761 -7.541 1.00 0.53 C ATOM 491 NE ARG A 33 -2.131 -3.219 -8.892 1.00 1.09 N ATOM 492 CZ ARG A 33 -0.893 -3.449 -9.317 1.00 1.56 C ATOM 493 NH1 ARG A 33 0.136 -3.261 -8.502 1.00 2.10 N ATOM 494 NH2 ARG A 33 -0.682 -3.868 -10.558 1.00 2.12 N ATOM 0 H ARG A 33 -3.198 -3.168 -3.910 1.00 0.36 H new ATOM 0 HA ARG A 33 -2.544 -0.876 -5.662 1.00 0.39 H new ATOM 0 HB2 ARG A 33 -4.584 -3.032 -5.654 1.00 0.47 H new ATOM 0 HB3 ARG A 33 -5.223 -1.435 -5.989 1.00 0.47 H new ATOM 0 HG2 ARG A 33 -4.541 -2.764 -8.028 1.00 0.80 H new ATOM 0 HG3 ARG A 33 -3.834 -1.164 -7.919 1.00 0.80 H new ATOM 0 HD2 ARG A 33 -1.712 -2.024 -7.225 1.00 0.53 H new ATOM 0 HD3 ARG A 33 -2.380 -3.599 -6.848 1.00 0.53 H new ATOM 0 HE ARG A 33 -2.901 -3.370 -9.544 1.00 1.09 H new ATOM 0 HH11 ARG A 33 -0.022 -2.939 -7.547 1.00 2.10 H new ATOM 0 HH12 ARG A 33 1.085 -3.438 -8.830 1.00 2.10 H new ATOM 0 HH21 ARG A 33 -1.471 -4.014 -11.188 1.00 2.12 H new ATOM 0 HH22 ARG A 33 0.269 -4.044 -10.882 1.00 2.12 H new ATOM 508 N CYS A 34 -3.705 0.844 -4.339 1.00 0.39 N ATOM 509 CA CYS A 34 -4.278 1.892 -3.500 1.00 0.41 C ATOM 510 C CYS A 34 -4.367 3.208 -4.274 1.00 0.41 C ATOM 511 O CYS A 34 -3.779 4.214 -3.876 1.00 0.47 O ATOM 512 CB CYS A 34 -3.432 2.078 -2.238 1.00 0.44 C ATOM 513 SG CYS A 34 -4.397 2.182 -0.697 1.00 0.94 S ATOM 0 H CYS A 34 -3.112 1.188 -5.094 1.00 0.39 H new ATOM 0 HA CYS A 34 -5.285 1.592 -3.209 1.00 0.41 H new ATOM 0 HB2 CYS A 34 -2.731 1.247 -2.159 1.00 0.44 H new ATOM 0 HB3 CYS A 34 -2.839 2.986 -2.343 1.00 0.44 H new ATOM 518 N PRO A 35 -5.104 3.216 -5.399 1.00 0.41 N ATOM 519 CA PRO A 35 -5.262 4.414 -6.235 1.00 0.44 C ATOM 520 C PRO A 35 -6.053 5.516 -5.537 1.00 0.34 C ATOM 521 O PRO A 35 -7.128 5.271 -4.989 1.00 0.34 O ATOM 522 CB PRO A 35 -6.027 3.900 -7.458 1.00 0.57 C ATOM 523 CG PRO A 35 -6.734 2.680 -6.979 1.00 0.54 C ATOM 524 CD PRO A 35 -5.834 2.060 -5.949 1.00 0.44 C ATOM 0 HA PRO A 35 -4.300 4.867 -6.476 1.00 0.44 H new ATOM 0 HB2 PRO A 35 -6.731 4.646 -7.827 1.00 0.57 H new ATOM 0 HB3 PRO A 35 -5.349 3.668 -8.280 1.00 0.57 H new ATOM 0 HG2 PRO A 35 -7.703 2.934 -6.549 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -6.921 1.989 -7.801 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -6.403 1.539 -5.179 1.00 0.44 H new ATOM 0 HD3 PRO A 35 -5.157 1.330 -6.393 1.00 0.44 H new ATOM 532 N ALA A 36 -5.513 6.731 -5.565 1.00 0.35 N ATOM 533 CA ALA A 36 -6.165 7.875 -4.940 1.00 0.33 C ATOM 534 C ALA A 36 -5.810 9.169 -5.664 1.00 0.32 C ATOM 535 O ALA A 36 -4.639 9.536 -5.762 1.00 0.38 O ATOM 536 CB ALA A 36 -5.779 7.965 -3.471 1.00 0.40 C ATOM 0 H ALA A 36 -4.624 6.948 -6.015 1.00 0.35 H new ATOM 0 HA ALA A 36 -7.243 7.733 -5.011 1.00 0.33 H new ATOM 0 HB1 ALA A 36 -6.273 8.824 -3.017 1.00 0.40 H new ATOM 0 HB2 ALA A 36 -6.088 7.055 -2.957 1.00 0.40 H new ATOM 0 HB3 ALA A 36 -4.699 8.081 -3.385 1.00 0.40 H new ATOM 542 N GLY A 37 -6.828 9.859 -6.169 1.00 0.33 N ATOM 543 CA GLY A 37 -6.600 11.104 -6.880 1.00 0.36 C ATOM 544 C GLY A 37 -6.741 12.319 -5.985 1.00 0.35 C ATOM 545 O GLY A 37 -7.700 12.431 -5.224 1.00 0.37 O ATOM 0 H GLY A 37 -7.806 9.578 -6.099 1.00 0.33 H new ATOM 0 HA2 GLY A 37 -5.601 11.092 -7.316 1.00 0.36 H new ATOM 0 HA3 GLY A 37 -7.307 11.181 -7.706 1.00 0.36 H new ATOM 549 N GLY A 38 -5.781 13.235 -6.080 1.00 0.36 N ATOM 550 CA GLY A 38 -5.820 14.436 -5.268 1.00 0.39 C ATOM 551 C GLY A 38 -4.602 15.311 -5.467 1.00 0.37 C ATOM 552 O GLY A 38 -4.243 15.640 -6.598 1.00 0.42 O ATOM 0 H GLY A 38 -4.978 13.166 -6.705 1.00 0.36 H new ATOM 0 HA2 GLY A 38 -6.716 15.006 -5.512 1.00 0.39 H new ATOM 0 HA3 GLY A 38 -5.895 14.157 -4.217 1.00 0.39 H new ATOM 556 N ASN A 39 -3.970 15.698 -4.365 1.00 0.40 N ATOM 557 CA ASN A 39 -2.790 16.552 -4.424 1.00 0.47 C ATOM 558 C ASN A 39 -1.581 15.816 -5.007 1.00 0.36 C ATOM 559 O ASN A 39 -1.571 14.588 -5.096 1.00 0.34 O ATOM 560 CB ASN A 39 -2.457 17.075 -3.016 1.00 0.70 C ATOM 561 CG ASN A 39 -1.587 16.121 -2.201 1.00 2.04 C ATOM 562 OD1 ASN A 39 -0.464 16.459 -1.830 1.00 2.41 O ATOM 563 ND2 ASN A 39 -2.107 14.932 -1.920 1.00 2.89 N ATOM 0 H ASN A 39 -4.254 15.434 -3.422 1.00 0.40 H new ATOM 0 HA ASN A 39 -3.016 17.388 -5.085 1.00 0.47 H new ATOM 0 HB2 ASN A 39 -1.946 18.034 -3.105 1.00 0.70 H new ATOM 0 HB3 ASN A 39 -3.386 17.258 -2.476 1.00 0.70 H new ATOM 0 HD21 ASN A 39 -1.571 14.256 -1.376 1.00 2.89 H new ATOM 0 HD22 ASN A 39 -3.043 14.694 -2.248 1.00 2.89 H new ATOM 570 N PRO A 40 -0.532 16.570 -5.386 1.00 0.39 N ATOM 571 CA PRO A 40 0.695 16.002 -5.927 1.00 0.39 C ATOM 572 C PRO A 40 1.666 15.578 -4.822 1.00 0.34 C ATOM 573 O PRO A 40 2.703 14.973 -5.095 1.00 0.40 O ATOM 574 CB PRO A 40 1.271 17.163 -6.730 1.00 0.51 C ATOM 575 CG PRO A 40 0.847 18.383 -5.982 1.00 0.52 C ATOM 576 CD PRO A 40 -0.452 18.042 -5.290 1.00 0.53 C ATOM 0 HA PRO A 40 0.520 15.099 -6.512 1.00 0.39 H new ATOM 0 HB2 PRO A 40 2.357 17.097 -6.799 1.00 0.51 H new ATOM 0 HB3 PRO A 40 0.886 17.169 -7.750 1.00 0.51 H new ATOM 0 HG2 PRO A 40 1.606 18.675 -5.257 1.00 0.52 H new ATOM 0 HG3 PRO A 40 0.714 19.226 -6.661 1.00 0.52 H new ATOM 0 HD2 PRO A 40 -0.451 18.375 -4.252 1.00 0.53 H new ATOM 0 HD3 PRO A 40 -1.302 18.521 -5.777 1.00 0.53 H new ATOM 584 N MET A 41 1.322 15.899 -3.570 1.00 0.31 N ATOM 585 CA MET A 41 2.160 15.553 -2.425 1.00 0.33 C ATOM 586 C MET A 41 1.424 14.616 -1.467 1.00 0.32 C ATOM 587 O MET A 41 0.993 15.035 -0.393 1.00 0.36 O ATOM 588 CB MET A 41 2.563 16.823 -1.668 1.00 0.39 C ATOM 589 CG MET A 41 3.703 16.611 -0.686 1.00 0.47 C ATOM 590 SD MET A 41 5.253 16.188 -1.502 1.00 1.30 S ATOM 591 CE MET A 41 6.415 17.163 -0.551 1.00 1.83 C ATOM 0 H MET A 41 0.467 16.399 -3.327 1.00 0.31 H new ATOM 0 HA MET A 41 3.048 15.046 -2.802 1.00 0.33 H new ATOM 0 HB2 MET A 41 2.853 17.588 -2.388 1.00 0.39 H new ATOM 0 HB3 MET A 41 1.696 17.205 -1.128 1.00 0.39 H new ATOM 0 HG2 MET A 41 3.843 17.517 -0.097 1.00 0.47 H new ATOM 0 HG3 MET A 41 3.435 15.816 0.010 1.00 0.47 H new ATOM 0 HE1 MET A 41 7.422 17.007 -0.937 1.00 1.83 H new ATOM 0 HE2 MET A 41 6.155 18.219 -0.631 1.00 1.83 H new ATOM 0 HE3 MET A 41 6.376 16.858 0.495 1.00 1.83 H new ATOM 601 N PRO A 42 1.270 13.334 -1.834 1.00 0.32 N ATOM 602 CA PRO A 42 0.589 12.349 -1.006 1.00 0.34 C ATOM 603 C PRO A 42 1.557 11.574 -0.118 1.00 0.35 C ATOM 604 O PRO A 42 2.589 11.092 -0.587 1.00 0.43 O ATOM 605 CB PRO A 42 -0.014 11.428 -2.056 1.00 0.40 C ATOM 606 CG PRO A 42 1.004 11.407 -3.151 1.00 0.42 C ATOM 607 CD PRO A 42 1.737 12.731 -3.096 1.00 0.36 C ATOM 0 HA PRO A 42 -0.129 12.794 -0.317 1.00 0.34 H new ATOM 0 HB2 PRO A 42 -0.190 10.429 -1.656 1.00 0.40 H new ATOM 0 HB3 PRO A 42 -0.974 11.803 -2.411 1.00 0.40 H new ATOM 0 HG2 PRO A 42 1.697 10.576 -3.018 1.00 0.42 H new ATOM 0 HG3 PRO A 42 0.525 11.271 -4.121 1.00 0.42 H new ATOM 0 HD2 PRO A 42 2.818 12.591 -3.098 1.00 0.36 H new ATOM 0 HD3 PRO A 42 1.496 13.359 -3.954 1.00 0.36 H new ATOM 615 N THR A 43 1.222 11.448 1.161 1.00 0.32 N ATOM 616 CA THR A 43 2.069 10.720 2.098 1.00 0.35 C ATOM 617 C THR A 43 1.350 9.482 2.622 1.00 0.37 C ATOM 618 O THR A 43 0.470 9.581 3.474 1.00 0.48 O ATOM 619 CB THR A 43 2.491 11.601 3.288 1.00 0.41 C ATOM 620 OG1 THR A 43 1.332 12.076 3.984 1.00 0.94 O ATOM 621 CG2 THR A 43 3.323 12.784 2.816 1.00 1.00 C ATOM 0 H THR A 43 0.374 11.839 1.571 1.00 0.32 H new ATOM 0 HA THR A 43 2.964 10.421 1.553 1.00 0.35 H new ATOM 0 HB THR A 43 3.096 10.995 3.962 1.00 0.41 H new ATOM 0 HG1 THR A 43 0.603 12.222 3.345 1.00 0.94 H new ATOM 0 HG21 THR A 43 3.610 13.392 3.674 1.00 1.00 H new ATOM 0 HG22 THR A 43 4.219 12.421 2.313 1.00 1.00 H new ATOM 0 HG23 THR A 43 2.737 13.387 2.123 1.00 1.00 H new ATOM 629 N MET A 44 1.725 8.320 2.107 1.00 0.35 N ATOM 630 CA MET A 44 1.099 7.074 2.525 1.00 0.41 C ATOM 631 C MET A 44 2.051 6.227 3.362 1.00 0.38 C ATOM 632 O MET A 44 3.253 6.182 3.107 1.00 0.40 O ATOM 633 CB MET A 44 0.625 6.281 1.305 1.00 0.49 C ATOM 634 CG MET A 44 1.564 6.381 0.114 1.00 0.86 C ATOM 635 SD MET A 44 1.144 7.746 -0.988 1.00 1.82 S ATOM 636 CE MET A 44 1.097 6.902 -2.567 1.00 2.30 C ATOM 0 H MET A 44 2.455 8.214 1.403 1.00 0.35 H new ATOM 0 HA MET A 44 0.238 7.326 3.144 1.00 0.41 H new ATOM 0 HB2 MET A 44 0.515 5.233 1.583 1.00 0.49 H new ATOM 0 HB3 MET A 44 -0.362 6.638 1.010 1.00 0.49 H new ATOM 0 HG2 MET A 44 2.586 6.509 0.471 1.00 0.86 H new ATOM 0 HG3 MET A 44 1.536 5.446 -0.445 1.00 0.86 H new ATOM 0 HE1 MET A 44 1.595 7.512 -3.321 1.00 2.30 H new ATOM 0 HE2 MET A 44 1.607 5.943 -2.482 1.00 2.30 H new ATOM 0 HE3 MET A 44 0.060 6.737 -2.860 1.00 2.30 H new ATOM 646 N ARG A 45 1.492 5.557 4.361 1.00 0.36 N ATOM 647 CA ARG A 45 2.270 4.703 5.251 1.00 0.34 C ATOM 648 C ARG A 45 1.926 3.239 4.999 1.00 0.32 C ATOM 649 O ARG A 45 0.787 2.910 4.663 1.00 0.34 O ATOM 650 CB ARG A 45 2.018 5.052 6.731 1.00 0.37 C ATOM 651 CG ARG A 45 1.092 6.243 6.963 1.00 0.66 C ATOM 652 CD ARG A 45 1.446 6.994 8.237 1.00 0.88 C ATOM 653 NE ARG A 45 0.666 6.531 9.381 1.00 1.57 N ATOM 654 CZ ARG A 45 0.666 7.136 10.564 1.00 2.04 C ATOM 655 NH1 ARG A 45 1.409 8.218 10.757 1.00 2.22 N ATOM 656 NH2 ARG A 45 -0.078 6.663 11.554 1.00 2.89 N ATOM 0 H ARG A 45 0.496 5.589 4.577 1.00 0.36 H new ATOM 0 HA ARG A 45 3.326 4.872 5.040 1.00 0.34 H new ATOM 0 HB2 ARG A 45 1.594 4.179 7.228 1.00 0.37 H new ATOM 0 HB3 ARG A 45 2.976 5.257 7.209 1.00 0.37 H new ATOM 0 HG2 ARG A 45 1.153 6.922 6.112 1.00 0.66 H new ATOM 0 HG3 ARG A 45 0.060 5.896 7.021 1.00 0.66 H new ATOM 0 HD2 ARG A 45 2.508 6.869 8.448 1.00 0.88 H new ATOM 0 HD3 ARG A 45 1.274 8.060 8.089 1.00 0.88 H new ATOM 0 HE ARG A 45 0.089 5.697 9.266 1.00 1.57 H new ATOM 0 HH11 ARG A 45 1.981 8.586 9.997 1.00 2.22 H new ATOM 0 HH12 ARG A 45 1.408 8.682 11.665 1.00 2.22 H new ATOM 0 HH21 ARG A 45 -0.652 5.833 11.409 1.00 2.89 H new ATOM 0 HH22 ARG A 45 -0.076 7.129 12.461 1.00 2.89 H new ATOM 670 N TRP A 46 2.912 2.364 5.160 1.00 0.31 N ATOM 671 CA TRP A 46 2.695 0.941 4.941 1.00 0.31 C ATOM 672 C TRP A 46 2.769 0.160 6.247 1.00 0.26 C ATOM 673 O TRP A 46 3.799 0.156 6.929 1.00 0.29 O ATOM 674 CB TRP A 46 3.718 0.390 3.950 1.00 0.39 C ATOM 675 CG TRP A 46 4.036 1.333 2.830 1.00 0.70 C ATOM 676 CD1 TRP A 46 5.245 1.911 2.562 1.00 1.52 C ATOM 677 CD2 TRP A 46 3.134 1.806 1.827 1.00 1.34 C ATOM 678 NE1 TRP A 46 5.146 2.713 1.450 1.00 1.62 N ATOM 679 CE2 TRP A 46 3.858 2.666 0.981 1.00 1.46 C ATOM 680 CE3 TRP A 46 1.779 1.583 1.562 1.00 2.43 C ATOM 681 CZ2 TRP A 46 3.274 3.303 -0.110 1.00 2.14 C ATOM 682 CZ3 TRP A 46 1.200 2.214 0.479 1.00 3.28 C ATOM 683 CH2 TRP A 46 1.947 3.065 -0.347 1.00 3.02 C ATOM 0 H TRP A 46 3.861 2.613 5.439 1.00 0.31 H new ATOM 0 HA TRP A 46 1.694 0.821 4.527 1.00 0.31 H new ATOM 0 HB2 TRP A 46 4.637 0.151 4.485 1.00 0.39 H new ATOM 0 HB3 TRP A 46 3.341 -0.543 3.532 1.00 0.39 H new ATOM 0 HD1 TRP A 46 6.145 1.760 3.139 1.00 1.52 H new ATOM 0 HE1 TRP A 46 5.907 3.255 1.040 1.00 1.62 H new ATOM 0 HE3 TRP A 46 1.196 0.929 2.193 1.00 2.43 H new ATOM 0 HZ2 TRP A 46 3.847 3.961 -0.746 1.00 2.14 H new ATOM 0 HZ3 TRP A 46 0.154 2.049 0.265 1.00 3.28 H new ATOM 0 HH2 TRP A 46 1.466 3.543 -1.188 1.00 3.02 H new ATOM 694 N LEU A 47 1.669 -0.511 6.578 1.00 0.25 N ATOM 695 CA LEU A 47 1.590 -1.310 7.795 1.00 0.26 C ATOM 696 C LEU A 47 1.025 -2.696 7.491 1.00 0.24 C ATOM 697 O LEU A 47 -0.078 -2.826 6.963 1.00 0.31 O ATOM 698 CB LEU A 47 0.720 -0.608 8.839 1.00 0.37 C ATOM 699 CG LEU A 47 0.820 -1.182 10.253 1.00 0.80 C ATOM 700 CD1 LEU A 47 1.218 -0.098 11.242 1.00 1.58 C ATOM 701 CD2 LEU A 47 -0.500 -1.819 10.663 1.00 1.53 C ATOM 0 H LEU A 47 0.817 -0.516 6.017 1.00 0.25 H new ATOM 0 HA LEU A 47 2.598 -1.423 8.195 1.00 0.26 H new ATOM 0 HB2 LEU A 47 0.995 0.446 8.870 1.00 0.37 H new ATOM 0 HB3 LEU A 47 -0.320 -0.656 8.516 1.00 0.37 H new ATOM 0 HG LEU A 47 1.591 -1.952 10.258 1.00 0.80 H new ATOM 0 HD11 LEU A 47 1.284 -0.525 12.243 1.00 1.58 H new ATOM 0 HD12 LEU A 47 2.186 0.315 10.959 1.00 1.58 H new ATOM 0 HD13 LEU A 47 0.469 0.694 11.234 1.00 1.58 H new ATOM 0 HD21 LEU A 47 -0.411 -2.223 11.672 1.00 1.53 H new ATOM 0 HD22 LEU A 47 -1.289 -1.067 10.641 1.00 1.53 H new ATOM 0 HD23 LEU A 47 -0.746 -2.624 9.971 1.00 1.53 H new ATOM 713 N LYS A 48 1.792 -3.726 7.830 1.00 0.22 N ATOM 714 CA LYS A 48 1.378 -5.104 7.596 1.00 0.25 C ATOM 715 C LYS A 48 1.288 -5.876 8.910 1.00 0.26 C ATOM 716 O LYS A 48 2.288 -6.054 9.606 1.00 0.31 O ATOM 717 CB LYS A 48 2.348 -5.815 6.641 1.00 0.34 C ATOM 718 CG LYS A 48 3.723 -5.165 6.539 1.00 0.41 C ATOM 719 CD LYS A 48 4.742 -6.110 5.922 1.00 0.88 C ATOM 720 CE LYS A 48 4.365 -6.479 4.497 1.00 0.73 C ATOM 721 NZ LYS A 48 5.467 -6.189 3.538 1.00 1.37 N ATOM 0 H LYS A 48 2.708 -3.632 8.270 1.00 0.22 H new ATOM 0 HA LYS A 48 0.390 -5.077 7.136 1.00 0.25 H new ATOM 0 HB2 LYS A 48 2.471 -6.847 6.970 1.00 0.34 H new ATOM 0 HB3 LYS A 48 1.901 -5.848 5.647 1.00 0.34 H new ATOM 0 HG2 LYS A 48 3.654 -4.259 5.937 1.00 0.41 H new ATOM 0 HG3 LYS A 48 4.059 -4.864 7.531 1.00 0.41 H new ATOM 0 HD2 LYS A 48 5.726 -5.642 5.930 1.00 0.88 H new ATOM 0 HD3 LYS A 48 4.815 -7.014 6.526 1.00 0.88 H new ATOM 0 HE2 LYS A 48 4.113 -7.538 4.451 1.00 0.73 H new ATOM 0 HE3 LYS A 48 3.473 -5.926 4.203 1.00 0.73 H new ATOM 0 HZ1 LYS A 48 5.170 -6.455 2.577 1.00 1.37 H new ATOM 0 HZ2 LYS A 48 5.691 -5.174 3.563 1.00 1.37 H new ATOM 0 HZ3 LYS A 48 6.311 -6.736 3.803 1.00 1.37 H new ATOM 735 N ASN A 49 0.083 -6.330 9.238 1.00 0.28 N ATOM 736 CA ASN A 49 -0.156 -7.087 10.468 1.00 0.35 C ATOM 737 C ASN A 49 0.548 -6.455 11.669 1.00 0.39 C ATOM 738 O ASN A 49 0.981 -7.158 12.582 1.00 0.50 O ATOM 739 CB ASN A 49 0.307 -8.536 10.302 1.00 0.38 C ATOM 740 CG ASN A 49 1.798 -8.644 10.064 1.00 0.75 C ATOM 741 OD1 ASN A 49 2.282 -8.390 8.961 1.00 1.53 O ATOM 742 ND2 ASN A 49 2.538 -9.026 11.098 1.00 1.32 N ATOM 0 H ASN A 49 -0.750 -6.187 8.667 1.00 0.28 H new ATOM 0 HA ASN A 49 -1.229 -7.068 10.657 1.00 0.35 H new ATOM 0 HB2 ASN A 49 0.043 -9.103 11.195 1.00 0.38 H new ATOM 0 HB3 ASN A 49 -0.225 -8.991 9.466 1.00 0.38 H new ATOM 0 HD21 ASN A 49 3.549 -9.119 10.995 1.00 1.32 H new ATOM 0 HD22 ASN A 49 2.096 -9.227 11.995 1.00 1.32 H new ATOM 749 N GLY A 50 0.651 -5.129 11.669 1.00 0.38 N ATOM 750 CA GLY A 50 1.297 -4.438 12.773 1.00 0.45 C ATOM 751 C GLY A 50 2.756 -4.107 12.501 1.00 0.48 C ATOM 752 O GLY A 50 3.439 -3.550 13.362 1.00 0.68 O ATOM 0 H GLY A 50 0.301 -4.522 10.928 1.00 0.38 H new ATOM 0 HA2 GLY A 50 0.755 -3.516 12.983 1.00 0.45 H new ATOM 0 HA3 GLY A 50 1.232 -5.057 13.668 1.00 0.45 H new ATOM 756 N LYS A 51 3.237 -4.444 11.308 1.00 0.36 N ATOM 757 CA LYS A 51 4.620 -4.175 10.934 1.00 0.39 C ATOM 758 C LYS A 51 4.686 -3.029 9.931 1.00 0.38 C ATOM 759 O LYS A 51 3.884 -2.958 9.009 1.00 0.39 O ATOM 760 CB LYS A 51 5.257 -5.433 10.337 1.00 0.42 C ATOM 761 CG LYS A 51 6.693 -5.234 9.874 1.00 0.53 C ATOM 762 CD LYS A 51 6.754 -4.741 8.437 1.00 0.75 C ATOM 763 CE LYS A 51 8.144 -4.925 7.844 1.00 0.82 C ATOM 764 NZ LYS A 51 9.214 -4.675 8.849 1.00 1.36 N ATOM 0 H LYS A 51 2.687 -4.905 10.583 1.00 0.36 H new ATOM 0 HA LYS A 51 5.173 -3.888 11.828 1.00 0.39 H new ATOM 0 HB2 LYS A 51 5.232 -6.229 11.081 1.00 0.42 H new ATOM 0 HB3 LYS A 51 4.656 -5.767 9.492 1.00 0.42 H new ATOM 0 HG2 LYS A 51 7.190 -4.517 10.527 1.00 0.53 H new ATOM 0 HG3 LYS A 51 7.237 -6.174 9.960 1.00 0.53 H new ATOM 0 HD2 LYS A 51 6.025 -5.282 7.834 1.00 0.75 H new ATOM 0 HD3 LYS A 51 6.478 -3.687 8.400 1.00 0.75 H new ATOM 0 HE2 LYS A 51 8.241 -5.938 7.455 1.00 0.82 H new ATOM 0 HE3 LYS A 51 8.272 -4.246 7.001 1.00 0.82 H new ATOM 0 HZ1 LYS A 51 10.131 -4.593 8.366 1.00 1.36 H new ATOM 0 HZ2 LYS A 51 9.011 -3.792 9.360 1.00 1.36 H new ATOM 0 HZ3 LYS A 51 9.248 -5.466 9.524 1.00 1.36 H new ATOM 778 N GLU A 52 5.651 -2.138 10.106 1.00 0.38 N ATOM 779 CA GLU A 52 5.805 -1.010 9.197 1.00 0.39 C ATOM 780 C GLU A 52 7.037 -1.190 8.326 1.00 0.43 C ATOM 781 O GLU A 52 8.046 -1.736 8.772 1.00 0.49 O ATOM 782 CB GLU A 52 5.905 0.301 9.981 1.00 0.44 C ATOM 783 CG GLU A 52 4.817 0.469 11.030 1.00 1.03 C ATOM 784 CD GLU A 52 5.040 1.682 11.912 1.00 1.38 C ATOM 785 OE1 GLU A 52 5.584 2.690 11.410 1.00 1.71 O ATOM 786 OE2 GLU A 52 4.674 1.625 13.105 1.00 1.90 O ATOM 0 H GLU A 52 6.334 -2.172 10.862 1.00 0.38 H new ATOM 0 HA GLU A 52 4.926 -0.969 8.554 1.00 0.39 H new ATOM 0 HB2 GLU A 52 6.879 0.349 10.469 1.00 0.44 H new ATOM 0 HB3 GLU A 52 5.857 1.137 9.283 1.00 0.44 H new ATOM 0 HG2 GLU A 52 3.850 0.557 10.534 1.00 1.03 H new ATOM 0 HG3 GLU A 52 4.776 -0.425 11.652 1.00 1.03 H new ATOM 793 N PHE A 53 6.969 -0.713 7.087 1.00 0.43 N ATOM 794 CA PHE A 53 8.101 -0.813 6.175 1.00 0.50 C ATOM 795 C PHE A 53 8.264 0.475 5.374 1.00 0.56 C ATOM 796 O PHE A 53 7.290 1.180 5.111 1.00 0.70 O ATOM 797 CB PHE A 53 7.950 -2.026 5.245 1.00 0.57 C ATOM 798 CG PHE A 53 7.037 -1.807 4.071 1.00 1.46 C ATOM 799 CD1 PHE A 53 7.426 -1.003 3.013 1.00 1.99 C ATOM 800 CD2 PHE A 53 5.781 -2.400 4.031 1.00 2.42 C ATOM 801 CE1 PHE A 53 6.586 -0.794 1.937 1.00 3.14 C ATOM 802 CE2 PHE A 53 4.937 -2.194 2.957 1.00 3.55 C ATOM 803 CZ PHE A 53 5.349 -1.420 1.895 1.00 3.85 C ATOM 0 H PHE A 53 6.146 -0.256 6.694 1.00 0.43 H new ATOM 0 HA PHE A 53 9.004 -0.958 6.768 1.00 0.50 H new ATOM 0 HB2 PHE A 53 8.936 -2.307 4.874 1.00 0.57 H new ATOM 0 HB3 PHE A 53 7.576 -2.868 5.827 1.00 0.57 H new ATOM 0 HD1 PHE A 53 8.398 -0.533 3.029 1.00 1.99 H new ATOM 0 HD2 PHE A 53 5.461 -3.029 4.849 1.00 2.42 H new ATOM 0 HE1 PHE A 53 6.892 -0.145 1.130 1.00 3.14 H new ATOM 0 HE2 PHE A 53 3.953 -2.640 2.950 1.00 3.55 H new ATOM 0 HZ PHE A 53 4.711 -1.301 1.032 1.00 3.85 H new ATOM 813 N LYS A 54 9.497 0.778 4.988 1.00 0.64 N ATOM 814 CA LYS A 54 9.779 1.983 4.218 1.00 0.77 C ATOM 815 C LYS A 54 10.207 1.633 2.797 1.00 1.29 C ATOM 816 O LYS A 54 10.887 0.631 2.571 1.00 1.12 O ATOM 817 CB LYS A 54 10.866 2.812 4.904 1.00 0.86 C ATOM 818 CG LYS A 54 10.432 3.391 6.240 1.00 1.43 C ATOM 819 CD LYS A 54 11.588 4.071 6.955 1.00 1.82 C ATOM 820 CE LYS A 54 11.324 4.191 8.448 1.00 2.44 C ATOM 821 NZ LYS A 54 12.421 3.593 9.257 1.00 3.19 N ATOM 0 H LYS A 54 10.317 0.207 5.195 1.00 0.64 H new ATOM 0 HA LYS A 54 8.864 2.573 4.167 1.00 0.77 H new ATOM 0 HB2 LYS A 54 11.747 2.188 5.056 1.00 0.86 H new ATOM 0 HB3 LYS A 54 11.163 3.626 4.243 1.00 0.86 H new ATOM 0 HG2 LYS A 54 9.628 4.109 6.082 1.00 1.43 H new ATOM 0 HG3 LYS A 54 10.031 2.596 6.869 1.00 1.43 H new ATOM 0 HD2 LYS A 54 12.504 3.503 6.790 1.00 1.82 H new ATOM 0 HD3 LYS A 54 11.747 5.063 6.531 1.00 1.82 H new ATOM 0 HE2 LYS A 54 11.210 5.242 8.713 1.00 2.44 H new ATOM 0 HE3 LYS A 54 10.383 3.697 8.691 1.00 2.44 H new ATOM 0 HZ1 LYS A 54 12.202 3.696 10.268 1.00 3.19 H new ATOM 0 HZ2 LYS A 54 12.514 2.584 9.024 1.00 3.19 H new ATOM 0 HZ3 LYS A 54 13.315 4.081 9.045 1.00 3.19 H new ATOM 885 N ARG A 58 13.278 -2.831 1.334 1.00 1.00 N ATOM 886 CA ARG A 58 12.289 -3.879 1.105 1.00 0.92 C ATOM 887 C ARG A 58 12.973 -5.217 0.847 1.00 0.69 C ATOM 888 O ARG A 58 14.112 -5.267 0.380 1.00 0.78 O ATOM 889 CB ARG A 58 11.366 -3.513 -0.054 1.00 1.23 C ATOM 890 CG ARG A 58 9.987 -3.060 0.400 1.00 1.36 C ATOM 891 CD ARG A 58 9.147 -4.232 0.883 1.00 1.75 C ATOM 892 NE ARG A 58 9.470 -4.607 2.258 1.00 2.44 N ATOM 893 CZ ARG A 58 9.199 -5.801 2.779 1.00 3.22 C ATOM 894 NH1 ARG A 58 8.611 -6.733 2.041 1.00 3.53 N ATOM 895 NH2 ARG A 58 9.515 -6.063 4.039 1.00 3.98 N ATOM 0 HA ARG A 58 11.681 -3.973 2.005 1.00 0.92 H new ATOM 0 HB2 ARG A 58 11.827 -2.719 -0.641 1.00 1.23 H new ATOM 0 HB3 ARG A 58 11.260 -4.375 -0.712 1.00 1.23 H new ATOM 0 HG2 ARG A 58 10.089 -2.329 1.202 1.00 1.36 H new ATOM 0 HG3 ARG A 58 9.477 -2.561 -0.424 1.00 1.36 H new ATOM 0 HD2 ARG A 58 8.090 -3.972 0.817 1.00 1.75 H new ATOM 0 HD3 ARG A 58 9.307 -5.088 0.227 1.00 1.75 H new ATOM 0 HE ARG A 58 9.928 -3.915 2.851 1.00 2.44 H new ATOM 0 HH11 ARG A 58 8.365 -6.536 1.071 1.00 3.53 H new ATOM 0 HH12 ARG A 58 8.405 -7.647 2.443 1.00 3.53 H new ATOM 0 HH21 ARG A 58 9.966 -5.349 4.611 1.00 3.98 H new ATOM 0 HH22 ARG A 58 9.307 -6.979 4.437 1.00 3.98 H new ATOM 909 N ILE A 59 12.268 -6.300 1.148 1.00 0.67 N ATOM 910 CA ILE A 59 12.807 -7.639 0.955 1.00 0.66 C ATOM 911 C ILE A 59 12.980 -7.971 -0.520 1.00 0.59 C ATOM 912 O ILE A 59 12.043 -8.422 -1.181 1.00 0.57 O ATOM 913 CB ILE A 59 11.912 -8.707 1.607 1.00 0.95 C ATOM 914 CG1 ILE A 59 11.683 -8.373 3.080 1.00 1.05 C ATOM 915 CG2 ILE A 59 12.540 -10.085 1.460 1.00 1.16 C ATOM 916 CD1 ILE A 59 12.928 -8.499 3.929 1.00 1.64 C ATOM 0 H ILE A 59 11.321 -6.277 1.527 1.00 0.67 H new ATOM 0 HA ILE A 59 13.785 -7.647 1.437 1.00 0.66 H new ATOM 0 HB ILE A 59 10.947 -8.715 1.100 1.00 0.95 H new ATOM 0 HG12 ILE A 59 11.301 -7.355 3.158 1.00 1.05 H new ATOM 0 HG13 ILE A 59 10.913 -9.034 3.478 1.00 1.05 H new ATOM 0 HG21 ILE A 59 11.895 -10.830 1.926 1.00 1.16 H new ATOM 0 HG22 ILE A 59 12.660 -10.319 0.402 1.00 1.16 H new ATOM 0 HG23 ILE A 59 13.516 -10.094 1.946 1.00 1.16 H new ATOM 0 HD11 ILE A 59 12.691 -8.247 4.963 1.00 1.64 H new ATOM 0 HD12 ILE A 59 13.299 -9.523 3.881 1.00 1.64 H new ATOM 0 HD13 ILE A 59 13.693 -7.818 3.556 1.00 1.64 H new ATOM 928 N GLY A 60 14.186 -7.759 -1.028 1.00 0.70 N ATOM 929 CA GLY A 60 14.466 -8.058 -2.416 1.00 0.77 C ATOM 930 C GLY A 60 14.338 -6.851 -3.324 1.00 0.74 C ATOM 931 O GLY A 60 14.737 -6.906 -4.487 1.00 0.79 O ATOM 0 H GLY A 60 14.976 -7.385 -0.502 1.00 0.70 H new ATOM 0 HA2 GLY A 60 15.476 -8.461 -2.498 1.00 0.77 H new ATOM 0 HA3 GLY A 60 13.784 -8.836 -2.758 1.00 0.77 H new ATOM 935 N GLY A 61 13.779 -5.757 -2.810 1.00 0.70 N ATOM 936 CA GLY A 61 13.623 -4.567 -3.629 1.00 0.72 C ATOM 937 C GLY A 61 12.273 -3.905 -3.434 1.00 0.74 C ATOM 938 O GLY A 61 11.362 -4.498 -2.861 1.00 1.20 O ATOM 0 H GLY A 61 13.435 -5.674 -1.853 1.00 0.70 H new ATOM 0 HA2 GLY A 61 14.412 -3.856 -3.386 1.00 0.72 H new ATOM 0 HA3 GLY A 61 13.746 -4.833 -4.679 1.00 0.72 H new ATOM 942 N TYR A 62 12.146 -2.668 -3.906 1.00 0.69 N ATOM 943 CA TYR A 62 10.897 -1.929 -3.769 1.00 0.84 C ATOM 944 C TYR A 62 10.518 -1.225 -5.067 1.00 0.73 C ATOM 945 O TYR A 62 11.296 -0.442 -5.611 1.00 0.97 O ATOM 946 CB TYR A 62 11.021 -0.899 -2.646 1.00 1.36 C ATOM 947 CG TYR A 62 12.355 -0.189 -2.626 1.00 1.92 C ATOM 948 CD1 TYR A 62 12.589 0.913 -3.438 1.00 2.43 C ATOM 949 CD2 TYR A 62 13.382 -0.620 -1.796 1.00 2.32 C ATOM 950 CE1 TYR A 62 13.807 1.565 -3.424 1.00 3.07 C ATOM 951 CE2 TYR A 62 14.603 0.026 -1.775 1.00 3.05 C ATOM 952 CZ TYR A 62 14.810 1.117 -2.592 1.00 3.35 C ATOM 953 OH TYR A 62 16.024 1.764 -2.575 1.00 4.10 O ATOM 0 H TYR A 62 12.889 -2.159 -4.384 1.00 0.69 H new ATOM 0 HA TYR A 62 10.111 -2.645 -3.529 1.00 0.84 H new ATOM 0 HB2 TYR A 62 10.226 -0.160 -2.751 1.00 1.36 H new ATOM 0 HB3 TYR A 62 10.868 -1.397 -1.688 1.00 1.36 H new ATOM 0 HD1 TYR A 62 11.805 1.266 -4.092 1.00 2.43 H new ATOM 0 HD2 TYR A 62 13.223 -1.475 -1.156 1.00 2.32 H new ATOM 0 HE1 TYR A 62 13.972 2.421 -4.062 1.00 3.07 H new ATOM 0 HE2 TYR A 62 15.390 -0.321 -1.123 1.00 3.05 H new ATOM 0 HH TYR A 62 16.620 1.324 -1.934 1.00 4.10 H new ATOM 963 N LYS A 63 9.311 -1.499 -5.550 1.00 0.66 N ATOM 964 CA LYS A 63 8.820 -0.881 -6.776 1.00 0.78 C ATOM 965 C LYS A 63 7.492 -0.176 -6.520 1.00 0.67 C ATOM 966 O LYS A 63 6.516 -0.802 -6.104 1.00 0.54 O ATOM 967 CB LYS A 63 8.647 -1.934 -7.870 1.00 1.11 C ATOM 968 CG LYS A 63 9.662 -1.817 -8.995 1.00 1.28 C ATOM 969 CD LYS A 63 10.935 -2.589 -8.682 1.00 1.83 C ATOM 970 CE LYS A 63 10.705 -4.091 -8.739 1.00 2.36 C ATOM 971 NZ LYS A 63 11.692 -4.837 -7.913 1.00 3.18 N ATOM 0 H LYS A 63 8.655 -2.145 -5.111 1.00 0.66 H new ATOM 0 HA LYS A 63 9.552 -0.145 -7.107 1.00 0.78 H new ATOM 0 HB2 LYS A 63 8.725 -2.925 -7.424 1.00 1.11 H new ATOM 0 HB3 LYS A 63 7.644 -1.850 -8.287 1.00 1.11 H new ATOM 0 HG2 LYS A 63 9.226 -2.193 -9.920 1.00 1.28 H new ATOM 0 HG3 LYS A 63 9.904 -0.767 -9.160 1.00 1.28 H new ATOM 0 HD2 LYS A 63 11.714 -2.312 -9.393 1.00 1.83 H new ATOM 0 HD3 LYS A 63 11.295 -2.312 -7.691 1.00 1.83 H new ATOM 0 HE2 LYS A 63 9.697 -4.317 -8.392 1.00 2.36 H new ATOM 0 HE3 LYS A 63 10.769 -4.429 -9.773 1.00 2.36 H new ATOM 0 HZ1 LYS A 63 11.500 -5.857 -7.980 1.00 3.18 H new ATOM 0 HZ2 LYS A 63 12.653 -4.642 -8.260 1.00 3.18 H new ATOM 0 HZ3 LYS A 63 11.614 -4.534 -6.921 1.00 3.18 H new ATOM 985 N VAL A 64 7.459 1.129 -6.768 1.00 0.81 N ATOM 986 CA VAL A 64 6.249 1.915 -6.563 1.00 0.77 C ATOM 987 C VAL A 64 6.033 2.905 -7.699 1.00 0.82 C ATOM 988 O VAL A 64 6.974 3.544 -8.167 1.00 0.89 O ATOM 989 CB VAL A 64 6.300 2.684 -5.229 1.00 0.85 C ATOM 990 CG1 VAL A 64 7.466 3.661 -5.219 1.00 1.49 C ATOM 991 CG2 VAL A 64 4.986 3.409 -4.980 1.00 1.71 C ATOM 0 H VAL A 64 8.257 1.664 -7.111 1.00 0.81 H new ATOM 0 HA VAL A 64 5.417 1.211 -6.539 1.00 0.77 H new ATOM 0 HB VAL A 64 6.451 1.966 -4.423 1.00 0.85 H new ATOM 0 HG11 VAL A 64 7.485 4.195 -4.269 1.00 1.49 H new ATOM 0 HG12 VAL A 64 8.400 3.114 -5.347 1.00 1.49 H new ATOM 0 HG13 VAL A 64 7.349 4.375 -6.034 1.00 1.49 H new ATOM 0 HG21 VAL A 64 5.041 3.947 -4.033 1.00 1.71 H new ATOM 0 HG22 VAL A 64 4.802 4.116 -5.789 1.00 1.71 H new ATOM 0 HG23 VAL A 64 4.173 2.684 -4.939 1.00 1.71 H new ATOM 1001 N ARG A 65 4.784 3.034 -8.136 1.00 0.82 N ATOM 1002 CA ARG A 65 4.450 3.952 -9.215 1.00 0.92 C ATOM 1003 C ARG A 65 4.589 5.398 -8.750 1.00 1.03 C ATOM 1004 O ARG A 65 3.865 5.848 -7.861 1.00 1.18 O ATOM 1005 CB ARG A 65 3.027 3.697 -9.713 1.00 0.96 C ATOM 1006 CG ARG A 65 2.966 2.871 -10.987 1.00 1.51 C ATOM 1007 CD ARG A 65 3.581 3.616 -12.161 1.00 2.02 C ATOM 1008 NE ARG A 65 2.707 4.674 -12.657 1.00 2.60 N ATOM 1009 CZ ARG A 65 3.130 5.693 -13.396 1.00 3.22 C ATOM 1010 NH1 ARG A 65 4.413 5.795 -13.716 1.00 3.52 N ATOM 1011 NH2 ARG A 65 2.272 6.615 -13.813 1.00 3.99 N ATOM 0 H ARG A 65 3.990 2.516 -7.760 1.00 0.82 H new ATOM 0 HA ARG A 65 5.146 3.780 -10.036 1.00 0.92 H new ATOM 0 HB2 ARG A 65 2.464 3.186 -8.932 1.00 0.96 H new ATOM 0 HB3 ARG A 65 2.535 4.654 -9.887 1.00 0.96 H new ATOM 0 HG2 ARG A 65 3.492 1.928 -10.837 1.00 1.51 H new ATOM 0 HG3 ARG A 65 1.929 2.625 -11.214 1.00 1.51 H new ATOM 0 HD2 ARG A 65 4.535 4.047 -11.857 1.00 2.02 H new ATOM 0 HD3 ARG A 65 3.791 2.912 -12.967 1.00 2.02 H new ATOM 0 HE ARG A 65 1.715 4.628 -12.423 1.00 2.60 H new ATOM 0 HH11 ARG A 65 5.076 5.090 -13.394 1.00 3.52 H new ATOM 0 HH12 ARG A 65 4.736 6.578 -14.284 1.00 3.52 H new ATOM 0 HH21 ARG A 65 1.285 6.542 -13.566 1.00 3.99 H new ATOM 0 HH22 ARG A 65 2.599 7.397 -14.381 1.00 3.99 H new ATOM 1025 N ASN A 66 5.528 6.120 -9.352 1.00 1.03 N ATOM 1026 CA ASN A 66 5.768 7.514 -8.996 1.00 1.16 C ATOM 1027 C ASN A 66 4.508 8.353 -9.177 1.00 1.03 C ATOM 1028 O ASN A 66 4.299 8.959 -10.227 1.00 1.79 O ATOM 1029 CB ASN A 66 6.906 8.089 -9.842 1.00 1.96 C ATOM 1030 CG ASN A 66 7.826 8.986 -9.038 1.00 2.83 C ATOM 1031 OD1 ASN A 66 9.045 8.959 -9.211 1.00 3.41 O ATOM 1032 ND2 ASN A 66 7.245 9.784 -8.152 1.00 3.48 N ATOM 0 H ASN A 66 6.136 5.763 -10.089 1.00 1.03 H new ATOM 0 HA ASN A 66 6.052 7.548 -7.944 1.00 1.16 H new ATOM 0 HB2 ASN A 66 7.485 7.271 -10.272 1.00 1.96 H new ATOM 0 HB3 ASN A 66 6.487 8.655 -10.674 1.00 1.96 H new ATOM 0 HD21 ASN A 66 7.812 10.409 -7.580 1.00 3.48 H new ATOM 0 HD22 ASN A 66 6.231 9.772 -8.043 1.00 3.48 H new ATOM 1039 N GLN A 67 3.672 8.388 -8.142 1.00 1.15 N ATOM 1040 CA GLN A 67 2.432 9.158 -8.180 1.00 1.99 C ATOM 1041 C GLN A 67 1.562 8.854 -6.962 1.00 1.73 C ATOM 1042 O GLN A 67 1.617 9.565 -5.960 1.00 2.55 O ATOM 1043 CB GLN A 67 1.654 8.866 -9.468 1.00 2.86 C ATOM 1044 CG GLN A 67 1.689 10.008 -10.470 1.00 3.88 C ATOM 1045 CD GLN A 67 0.384 10.158 -11.228 1.00 4.69 C ATOM 1046 OE1 GLN A 67 -0.602 10.666 -10.694 1.00 5.12 O ATOM 1047 NE2 GLN A 67 0.372 9.716 -12.479 1.00 5.31 N ATOM 0 H GLN A 67 3.831 7.891 -7.266 1.00 1.15 H new ATOM 0 HA GLN A 67 2.695 10.216 -8.161 1.00 1.99 H new ATOM 0 HB2 GLN A 67 2.064 7.971 -9.935 1.00 2.86 H new ATOM 0 HB3 GLN A 67 0.617 8.647 -9.215 1.00 2.86 H new ATOM 0 HG2 GLN A 67 1.911 10.939 -9.947 1.00 3.88 H new ATOM 0 HG3 GLN A 67 2.500 9.840 -11.179 1.00 3.88 H new ATOM 0 HE21 GLN A 67 1.213 9.302 -12.882 1.00 5.31 H new ATOM 0 HE22 GLN A 67 -0.478 9.791 -13.038 1.00 5.31 H new ATOM 1056 N HIS A 68 0.759 7.793 -7.057 1.00 0.89 N ATOM 1057 CA HIS A 68 -0.129 7.387 -5.966 1.00 0.62 C ATOM 1058 C HIS A 68 -1.163 6.384 -6.465 1.00 0.68 C ATOM 1059 O HIS A 68 -2.353 6.508 -6.170 1.00 1.37 O ATOM 1060 CB HIS A 68 -0.846 8.600 -5.363 1.00 0.63 C ATOM 1061 CG HIS A 68 -1.426 9.521 -6.391 1.00 1.42 C ATOM 1062 ND1 HIS A 68 -2.347 9.110 -7.334 1.00 2.23 N ATOM 1063 CD2 HIS A 68 -1.213 10.839 -6.626 1.00 2.22 C ATOM 1064 CE1 HIS A 68 -2.674 10.133 -8.102 1.00 2.85 C ATOM 1065 NE2 HIS A 68 -2.001 11.193 -7.694 1.00 2.83 N ATOM 0 H HIS A 68 0.705 7.197 -7.883 1.00 0.89 H new ATOM 0 HA HIS A 68 0.484 6.920 -5.195 1.00 0.62 H new ATOM 0 HB2 HIS A 68 -1.644 8.252 -4.707 1.00 0.63 H new ATOM 0 HB3 HIS A 68 -0.143 9.157 -4.743 1.00 0.63 H new ATOM 0 HD1 HIS A 68 -2.717 8.164 -7.423 1.00 2.23 H new ATOM 0 HD2 HIS A 68 -0.548 11.489 -6.076 1.00 2.22 H new ATOM 0 HE1 HIS A 68 -3.373 10.107 -8.925 1.00 2.85 H new ATOM 1074 N TRP A 69 -0.712 5.397 -7.233 1.00 0.51 N ATOM 1075 CA TRP A 69 -1.611 4.387 -7.779 1.00 0.45 C ATOM 1076 C TRP A 69 -1.380 3.021 -7.137 1.00 0.37 C ATOM 1077 O TRP A 69 -2.065 2.653 -6.182 1.00 0.44 O ATOM 1078 CB TRP A 69 -1.442 4.290 -9.296 1.00 0.56 C ATOM 1079 CG TRP A 69 -2.450 5.094 -10.060 1.00 0.93 C ATOM 1080 CD1 TRP A 69 -3.705 5.441 -9.647 1.00 1.16 C ATOM 1081 CD2 TRP A 69 -2.290 5.653 -11.369 1.00 1.62 C ATOM 1082 NE1 TRP A 69 -4.333 6.180 -10.619 1.00 1.72 N ATOM 1083 CE2 TRP A 69 -3.486 6.324 -11.686 1.00 2.01 C ATOM 1084 CE3 TRP A 69 -1.251 5.651 -12.305 1.00 2.13 C ATOM 1085 CZ2 TRP A 69 -3.672 6.986 -12.896 1.00 2.74 C ATOM 1086 CZ3 TRP A 69 -1.437 6.310 -13.507 1.00 2.88 C ATOM 1087 CH2 TRP A 69 -2.639 6.969 -13.793 1.00 3.14 C ATOM 0 H TRP A 69 0.267 5.275 -7.491 1.00 0.51 H new ATOM 0 HA TRP A 69 -2.631 4.695 -7.550 1.00 0.45 H new ATOM 0 HB2 TRP A 69 -0.441 4.627 -9.565 1.00 0.56 H new ATOM 0 HB3 TRP A 69 -1.518 3.245 -9.597 1.00 0.56 H new ATOM 0 HD1 TRP A 69 -4.140 5.173 -8.695 1.00 1.16 H new ATOM 0 HE1 TRP A 69 -5.277 6.560 -10.557 1.00 1.72 H new ATOM 0 HE3 TRP A 69 -0.321 5.145 -12.093 1.00 2.13 H new ATOM 0 HZ2 TRP A 69 -4.598 7.495 -13.119 1.00 2.74 H new ATOM 0 HZ3 TRP A 69 -0.641 6.316 -14.237 1.00 2.88 H new ATOM 0 HH2 TRP A 69 -2.753 7.474 -14.741 1.00 3.14 H new ATOM 1098 N SER A 70 -0.425 2.266 -7.672 1.00 0.35 N ATOM 1099 CA SER A 70 -0.126 0.936 -7.151 1.00 0.33 C ATOM 1100 C SER A 70 1.265 0.877 -6.524 1.00 0.36 C ATOM 1101 O SER A 70 2.119 1.722 -6.795 1.00 0.39 O ATOM 1102 CB SER A 70 -0.235 -0.105 -8.268 1.00 0.40 C ATOM 1103 OG SER A 70 0.473 0.312 -9.423 1.00 1.02 O ATOM 0 H SER A 70 0.153 2.551 -8.463 1.00 0.35 H new ATOM 0 HA SER A 70 -0.857 0.714 -6.373 1.00 0.33 H new ATOM 0 HB2 SER A 70 0.160 -1.059 -7.920 1.00 0.40 H new ATOM 0 HB3 SER A 70 -1.284 -0.266 -8.518 1.00 0.40 H new ATOM 0 HG SER A 70 0.390 -0.370 -10.122 1.00 1.02 H new ATOM 1109 N LEU A 71 1.484 -0.143 -5.699 1.00 0.38 N ATOM 1110 CA LEU A 71 2.769 -0.348 -5.040 1.00 0.44 C ATOM 1111 C LEU A 71 3.079 -1.841 -4.962 1.00 0.44 C ATOM 1112 O LEU A 71 2.334 -2.601 -4.343 1.00 0.52 O ATOM 1113 CB LEU A 71 2.757 0.262 -3.635 1.00 0.51 C ATOM 1114 CG LEU A 71 1.430 0.140 -2.885 1.00 0.63 C ATOM 1115 CD1 LEU A 71 1.673 -0.232 -1.431 1.00 0.98 C ATOM 1116 CD2 LEU A 71 0.641 1.436 -2.982 1.00 0.80 C ATOM 0 H LEU A 71 0.781 -0.846 -5.470 1.00 0.38 H new ATOM 0 HA LEU A 71 3.544 0.148 -5.624 1.00 0.44 H new ATOM 0 HB2 LEU A 71 3.537 -0.216 -3.042 1.00 0.51 H new ATOM 0 HB3 LEU A 71 3.017 1.318 -3.712 1.00 0.51 H new ATOM 0 HG LEU A 71 0.843 -0.653 -3.349 1.00 0.63 H new ATOM 0 HD11 LEU A 71 0.718 -0.315 -0.912 1.00 0.98 H new ATOM 0 HD12 LEU A 71 2.196 -1.187 -1.382 1.00 0.98 H new ATOM 0 HD13 LEU A 71 2.279 0.539 -0.955 1.00 0.98 H new ATOM 0 HD21 LEU A 71 -0.300 1.330 -2.442 1.00 0.80 H new ATOM 0 HD22 LEU A 71 1.221 2.249 -2.544 1.00 0.80 H new ATOM 0 HD23 LEU A 71 0.436 1.660 -4.029 1.00 0.80 H new ATOM 1128 N ILE A 72 4.164 -2.266 -5.602 1.00 0.39 N ATOM 1129 CA ILE A 72 4.532 -3.678 -5.597 1.00 0.39 C ATOM 1130 C ILE A 72 5.820 -3.934 -4.818 1.00 0.36 C ATOM 1131 O ILE A 72 6.894 -3.470 -5.199 1.00 0.38 O ATOM 1132 CB ILE A 72 4.686 -4.227 -7.031 1.00 0.42 C ATOM 1133 CG1 ILE A 72 4.752 -5.756 -7.005 1.00 0.44 C ATOM 1134 CG2 ILE A 72 5.922 -3.645 -7.706 1.00 0.45 C ATOM 1135 CD1 ILE A 72 3.848 -6.417 -8.024 1.00 1.12 C ATOM 0 H ILE A 72 4.797 -1.661 -6.125 1.00 0.39 H new ATOM 0 HA ILE A 72 3.717 -4.202 -5.099 1.00 0.39 H new ATOM 0 HB ILE A 72 3.815 -3.925 -7.612 1.00 0.42 H new ATOM 0 HG12 ILE A 72 5.780 -6.070 -7.185 1.00 0.44 H new ATOM 0 HG13 ILE A 72 4.481 -6.107 -6.009 1.00 0.44 H new ATOM 0 HG21 ILE A 72 6.009 -4.047 -8.715 1.00 0.45 H new ATOM 0 HG22 ILE A 72 5.833 -2.560 -7.754 1.00 0.45 H new ATOM 0 HG23 ILE A 72 6.809 -3.911 -7.132 1.00 0.45 H new ATOM 0 HD11 ILE A 72 3.946 -7.500 -7.949 1.00 1.12 H new ATOM 0 HD12 ILE A 72 2.814 -6.132 -7.832 1.00 1.12 H new ATOM 0 HD13 ILE A 72 4.133 -6.095 -9.026 1.00 1.12 H new ATOM 1147 N MET A 73 5.699 -4.687 -3.729 1.00 0.36 N ATOM 1148 CA MET A 73 6.843 -5.026 -2.891 1.00 0.36 C ATOM 1149 C MET A 73 7.129 -6.523 -2.965 1.00 0.33 C ATOM 1150 O MET A 73 6.213 -7.330 -3.131 1.00 0.43 O ATOM 1151 CB MET A 73 6.583 -4.622 -1.437 1.00 0.43 C ATOM 1152 CG MET A 73 5.788 -3.335 -1.284 1.00 0.83 C ATOM 1153 SD MET A 73 6.835 -1.867 -1.314 1.00 1.86 S ATOM 1154 CE MET A 73 7.212 -1.754 -3.062 1.00 2.56 C ATOM 0 H MET A 73 4.814 -5.076 -3.405 1.00 0.36 H new ATOM 0 HA MET A 73 7.710 -4.478 -3.260 1.00 0.36 H new ATOM 0 HB2 MET A 73 6.048 -5.429 -0.937 1.00 0.43 H new ATOM 0 HB3 MET A 73 7.539 -4.509 -0.926 1.00 0.43 H new ATOM 0 HG2 MET A 73 5.053 -3.269 -2.086 1.00 0.83 H new ATOM 0 HG3 MET A 73 5.235 -3.363 -0.345 1.00 0.83 H new ATOM 0 HE1 MET A 73 7.702 -0.802 -3.268 1.00 2.56 H new ATOM 0 HE2 MET A 73 7.875 -2.572 -3.345 1.00 2.56 H new ATOM 0 HE3 MET A 73 6.289 -1.819 -3.638 1.00 2.56 H new ATOM 1164 N GLU A 74 8.397 -6.888 -2.843 1.00 0.33 N ATOM 1165 CA GLU A 74 8.795 -8.290 -2.898 1.00 0.31 C ATOM 1166 C GLU A 74 8.869 -8.890 -1.498 1.00 0.31 C ATOM 1167 O GLU A 74 9.681 -8.468 -0.674 1.00 0.37 O ATOM 1168 CB GLU A 74 10.150 -8.428 -3.598 1.00 0.37 C ATOM 1169 CG GLU A 74 10.741 -9.828 -3.520 1.00 0.41 C ATOM 1170 CD GLU A 74 11.171 -10.356 -4.876 1.00 0.89 C ATOM 1171 OE1 GLU A 74 11.515 -9.533 -5.752 1.00 1.12 O ATOM 1172 OE2 GLU A 74 11.161 -11.591 -5.063 1.00 1.52 O ATOM 0 H GLU A 74 9.168 -6.235 -2.705 1.00 0.33 H new ATOM 0 HA GLU A 74 8.042 -8.835 -3.467 1.00 0.31 H new ATOM 0 HB2 GLU A 74 10.037 -8.149 -4.646 1.00 0.37 H new ATOM 0 HB3 GLU A 74 10.852 -7.722 -3.154 1.00 0.37 H new ATOM 0 HG2 GLU A 74 11.600 -9.819 -2.849 1.00 0.41 H new ATOM 0 HG3 GLU A 74 10.005 -10.506 -3.087 1.00 0.41 H new ATOM 1179 N SER A 75 8.021 -9.879 -1.233 1.00 0.29 N ATOM 1180 CA SER A 75 8.004 -10.531 0.067 1.00 0.33 C ATOM 1181 C SER A 75 8.040 -12.049 -0.084 1.00 0.33 C ATOM 1182 O SER A 75 7.006 -12.687 -0.287 1.00 0.38 O ATOM 1183 CB SER A 75 6.759 -10.116 0.853 1.00 0.41 C ATOM 1184 OG SER A 75 7.004 -8.950 1.620 1.00 1.32 O ATOM 0 H SER A 75 7.340 -10.243 -1.900 1.00 0.29 H new ATOM 0 HA SER A 75 8.893 -10.217 0.614 1.00 0.33 H new ATOM 0 HB2 SER A 75 5.934 -9.935 0.164 1.00 0.41 H new ATOM 0 HB3 SER A 75 6.452 -10.930 1.510 1.00 0.41 H new ATOM 0 HG SER A 75 6.192 -8.705 2.111 1.00 1.32 H new ATOM 1190 N VAL A 76 9.234 -12.620 0.030 1.00 0.37 N ATOM 1191 CA VAL A 76 9.404 -14.065 -0.080 1.00 0.41 C ATOM 1192 C VAL A 76 9.102 -14.723 1.260 1.00 0.43 C ATOM 1193 O VAL A 76 8.251 -15.607 1.354 1.00 0.46 O ATOM 1194 CB VAL A 76 10.831 -14.432 -0.531 1.00 0.48 C ATOM 1195 CG1 VAL A 76 11.039 -15.942 -0.524 1.00 1.54 C ATOM 1196 CG2 VAL A 76 11.119 -13.856 -1.908 1.00 1.33 C ATOM 0 H VAL A 76 10.098 -12.105 0.198 1.00 0.37 H new ATOM 0 HA VAL A 76 8.707 -14.430 -0.835 1.00 0.41 H new ATOM 0 HB VAL A 76 11.532 -13.995 0.180 1.00 0.48 H new ATOM 0 HG11 VAL A 76 12.055 -16.171 -0.847 1.00 1.54 H new ATOM 0 HG12 VAL A 76 10.883 -16.326 0.484 1.00 1.54 H new ATOM 0 HG13 VAL A 76 10.328 -16.410 -1.205 1.00 1.54 H new ATOM 0 HG21 VAL A 76 12.131 -14.125 -2.211 1.00 1.33 H new ATOM 0 HG22 VAL A 76 10.406 -14.259 -2.627 1.00 1.33 H new ATOM 0 HG23 VAL A 76 11.027 -12.770 -1.875 1.00 1.33 H new ATOM 1206 N VAL A 77 9.793 -14.267 2.298 1.00 0.45 N ATOM 1207 CA VAL A 77 9.587 -14.796 3.638 1.00 0.49 C ATOM 1208 C VAL A 77 8.514 -14.006 4.405 1.00 0.45 C ATOM 1209 O VAL A 77 7.761 -14.599 5.177 1.00 0.47 O ATOM 1210 CB VAL A 77 10.897 -14.855 4.462 1.00 0.57 C ATOM 1211 CG1 VAL A 77 11.341 -13.473 4.920 1.00 0.80 C ATOM 1212 CG2 VAL A 77 10.727 -15.783 5.656 1.00 0.77 C ATOM 0 H VAL A 77 10.499 -13.534 2.236 1.00 0.45 H new ATOM 0 HA VAL A 77 9.234 -15.819 3.504 1.00 0.49 H new ATOM 0 HB VAL A 77 11.678 -15.250 3.813 1.00 0.57 H new ATOM 0 HG11 VAL A 77 12.263 -13.559 5.495 1.00 0.80 H new ATOM 0 HG12 VAL A 77 11.513 -12.839 4.050 1.00 0.80 H new ATOM 0 HG13 VAL A 77 10.565 -13.030 5.544 1.00 0.80 H new ATOM 0 HG21 VAL A 77 11.655 -15.815 6.227 1.00 0.77 H new ATOM 0 HG22 VAL A 77 9.923 -15.414 6.292 1.00 0.77 H new ATOM 0 HG23 VAL A 77 10.481 -16.785 5.306 1.00 0.77 H new ATOM 1222 N PRO A 78 8.389 -12.669 4.202 1.00 0.43 N ATOM 1223 CA PRO A 78 7.361 -11.883 4.891 1.00 0.41 C ATOM 1224 C PRO A 78 5.958 -12.289 4.449 1.00 0.35 C ATOM 1225 O PRO A 78 4.972 -11.973 5.113 1.00 0.34 O ATOM 1226 CB PRO A 78 7.642 -10.432 4.477 1.00 0.42 C ATOM 1227 CG PRO A 78 8.998 -10.446 3.863 1.00 0.48 C ATOM 1228 CD PRO A 78 9.188 -11.822 3.297 1.00 0.46 C ATOM 0 HA PRO A 78 7.398 -12.033 5.970 1.00 0.41 H new ATOM 0 HB2 PRO A 78 6.895 -10.075 3.768 1.00 0.42 H new ATOM 0 HB3 PRO A 78 7.609 -9.765 5.339 1.00 0.42 H new ATOM 0 HG2 PRO A 78 9.079 -9.690 3.082 1.00 0.48 H new ATOM 0 HG3 PRO A 78 9.764 -10.222 4.606 1.00 0.48 H new ATOM 0 HD2 PRO A 78 8.835 -11.887 2.268 1.00 0.46 H new ATOM 0 HD3 PRO A 78 10.238 -12.115 3.293 1.00 0.46 H new ATOM 1236 N SER A 79 5.875 -12.994 3.321 1.00 0.34 N ATOM 1237 CA SER A 79 4.594 -13.441 2.794 1.00 0.34 C ATOM 1238 C SER A 79 3.804 -14.190 3.858 1.00 0.38 C ATOM 1239 O SER A 79 2.577 -14.265 3.795 1.00 0.39 O ATOM 1240 CB SER A 79 4.805 -14.337 1.573 1.00 0.39 C ATOM 1241 OG SER A 79 4.126 -13.825 0.439 1.00 1.13 O ATOM 0 H SER A 79 6.681 -13.266 2.758 1.00 0.34 H new ATOM 0 HA SER A 79 4.024 -12.561 2.494 1.00 0.34 H new ATOM 0 HB2 SER A 79 5.870 -14.417 1.357 1.00 0.39 H new ATOM 0 HB3 SER A 79 4.447 -15.343 1.791 1.00 0.39 H new ATOM 0 HG SER A 79 4.764 -13.359 -0.141 1.00 1.13 H new ATOM 1247 N ASP A 80 4.510 -14.737 4.844 1.00 0.43 N ATOM 1248 CA ASP A 80 3.861 -15.468 5.922 1.00 0.50 C ATOM 1249 C ASP A 80 2.770 -14.617 6.547 1.00 0.42 C ATOM 1250 O ASP A 80 1.704 -15.120 6.905 1.00 0.47 O ATOM 1251 CB ASP A 80 4.882 -15.877 6.987 1.00 0.62 C ATOM 1252 CG ASP A 80 5.982 -16.758 6.427 1.00 1.27 C ATOM 1253 OD1 ASP A 80 5.701 -17.529 5.484 1.00 2.02 O ATOM 1254 OD2 ASP A 80 7.121 -16.678 6.930 1.00 1.69 O ATOM 0 H ASP A 80 5.526 -14.687 4.917 1.00 0.43 H new ATOM 0 HA ASP A 80 3.414 -16.371 5.506 1.00 0.50 H new ATOM 0 HB2 ASP A 80 5.325 -14.982 7.424 1.00 0.62 H new ATOM 0 HB3 ASP A 80 4.371 -16.406 7.792 1.00 0.62 H new ATOM 1259 N LYS A 81 3.028 -13.320 6.654 1.00 0.38 N ATOM 1260 CA LYS A 81 2.043 -12.411 7.212 1.00 0.33 C ATOM 1261 C LYS A 81 1.176 -11.847 6.094 1.00 0.26 C ATOM 1262 O LYS A 81 1.624 -11.024 5.297 1.00 0.27 O ATOM 1263 CB LYS A 81 2.734 -11.270 7.967 1.00 0.40 C ATOM 1264 CG LYS A 81 3.974 -10.738 7.263 1.00 0.91 C ATOM 1265 CD LYS A 81 4.488 -9.464 7.912 1.00 1.02 C ATOM 1266 CE LYS A 81 6.001 -9.355 7.804 1.00 0.87 C ATOM 1267 NZ LYS A 81 6.603 -8.750 9.023 1.00 1.23 N ATOM 0 H LYS A 81 3.902 -12.880 6.365 1.00 0.38 H new ATOM 0 HA LYS A 81 1.415 -12.959 7.914 1.00 0.33 H new ATOM 0 HB2 LYS A 81 2.025 -10.453 8.103 1.00 0.40 H new ATOM 0 HB3 LYS A 81 3.012 -11.619 8.961 1.00 0.40 H new ATOM 0 HG2 LYS A 81 4.756 -11.497 7.282 1.00 0.91 H new ATOM 0 HG3 LYS A 81 3.743 -10.545 6.216 1.00 0.91 H new ATOM 0 HD2 LYS A 81 4.025 -8.600 7.436 1.00 1.02 H new ATOM 0 HD3 LYS A 81 4.195 -9.445 8.962 1.00 1.02 H new ATOM 0 HE2 LYS A 81 6.426 -10.346 7.643 1.00 0.87 H new ATOM 0 HE3 LYS A 81 6.260 -8.752 6.934 1.00 0.87 H new ATOM 0 HZ1 LYS A 81 7.601 -8.522 8.841 1.00 1.23 H new ATOM 0 HZ2 LYS A 81 6.088 -7.880 9.269 1.00 1.23 H new ATOM 0 HZ3 LYS A 81 6.541 -9.424 9.812 1.00 1.23 H new ATOM 1281 N GLY A 82 -0.063 -12.314 6.037 1.00 0.24 N ATOM 1282 CA GLY A 82 -0.979 -11.871 5.008 1.00 0.24 C ATOM 1283 C GLY A 82 -1.920 -10.786 5.492 1.00 0.28 C ATOM 1284 O GLY A 82 -3.126 -10.849 5.267 1.00 0.53 O ATOM 0 H GLY A 82 -0.451 -12.995 6.689 1.00 0.24 H new ATOM 0 HA2 GLY A 82 -0.410 -11.499 4.156 1.00 0.24 H new ATOM 0 HA3 GLY A 82 -1.562 -12.722 4.655 1.00 0.24 H new ATOM 1288 N ASN A 83 -1.358 -9.767 6.125 1.00 0.23 N ATOM 1289 CA ASN A 83 -2.145 -8.641 6.601 1.00 0.28 C ATOM 1290 C ASN A 83 -1.551 -7.344 6.070 1.00 0.30 C ATOM 1291 O ASN A 83 -0.458 -6.952 6.472 1.00 0.36 O ATOM 1292 CB ASN A 83 -2.202 -8.627 8.129 1.00 0.40 C ATOM 1293 CG ASN A 83 -3.606 -8.392 8.651 1.00 0.82 C ATOM 1294 OD1 ASN A 83 -4.510 -9.195 8.420 1.00 1.63 O ATOM 1295 ND2 ASN A 83 -3.796 -7.285 9.359 1.00 0.96 N ATOM 0 H ASN A 83 -0.359 -9.697 6.321 1.00 0.23 H new ATOM 0 HA ASN A 83 -3.166 -8.740 6.232 1.00 0.28 H new ATOM 0 HB2 ASN A 83 -1.828 -9.576 8.513 1.00 0.40 H new ATOM 0 HB3 ASN A 83 -1.541 -7.848 8.508 1.00 0.40 H new ATOM 0 HD21 ASN A 83 -4.720 -7.073 9.736 1.00 0.96 H new ATOM 0 HD22 ASN A 83 -3.018 -6.647 9.526 1.00 0.96 H new ATOM 1302 N TYR A 84 -2.261 -6.687 5.162 1.00 0.33 N ATOM 1303 CA TYR A 84 -1.771 -5.441 4.585 1.00 0.40 C ATOM 1304 C TYR A 84 -2.693 -4.277 4.911 1.00 0.35 C ATOM 1305 O TYR A 84 -3.914 -4.375 4.770 1.00 0.44 O ATOM 1306 CB TYR A 84 -1.618 -5.574 3.068 1.00 0.57 C ATOM 1307 CG TYR A 84 -0.690 -4.542 2.467 1.00 1.17 C ATOM 1308 CD1 TYR A 84 0.686 -4.732 2.470 1.00 1.96 C ATOM 1309 CD2 TYR A 84 -1.190 -3.379 1.895 1.00 1.74 C ATOM 1310 CE1 TYR A 84 1.537 -3.790 1.921 1.00 2.76 C ATOM 1311 CE2 TYR A 84 -0.346 -2.434 1.343 1.00 2.46 C ATOM 1312 CZ TYR A 84 1.016 -2.644 1.358 1.00 2.86 C ATOM 1313 OH TYR A 84 1.860 -1.705 0.812 1.00 3.72 O ATOM 0 H TYR A 84 -3.169 -6.992 4.812 1.00 0.33 H new ATOM 0 HA TYR A 84 -0.795 -5.237 5.026 1.00 0.40 H new ATOM 0 HB2 TYR A 84 -1.243 -6.570 2.834 1.00 0.57 H new ATOM 0 HB3 TYR A 84 -2.599 -5.485 2.602 1.00 0.57 H new ATOM 0 HD1 TYR A 84 1.098 -5.629 2.908 1.00 1.96 H new ATOM 0 HD2 TYR A 84 -2.257 -3.210 1.881 1.00 1.74 H new ATOM 0 HE1 TYR A 84 2.605 -3.951 1.933 1.00 2.76 H new ATOM 0 HE2 TYR A 84 -0.752 -1.535 0.902 1.00 2.46 H new ATOM 0 HH TYR A 84 1.637 -0.819 1.167 1.00 3.72 H new ATOM 1323 N THR A 85 -2.099 -3.173 5.342 1.00 0.32 N ATOM 1324 CA THR A 85 -2.859 -1.980 5.681 1.00 0.33 C ATOM 1325 C THR A 85 -2.359 -0.779 4.889 1.00 0.29 C ATOM 1326 O THR A 85 -1.197 -0.388 5.002 1.00 0.31 O ATOM 1327 CB THR A 85 -2.770 -1.662 7.186 1.00 0.45 C ATOM 1328 OG1 THR A 85 -2.726 -2.876 7.944 1.00 1.14 O ATOM 1329 CG2 THR A 85 -3.957 -0.823 7.634 1.00 1.00 C ATOM 0 H THR A 85 -1.091 -3.080 5.465 1.00 0.32 H new ATOM 0 HA THR A 85 -3.899 -2.180 5.425 1.00 0.33 H new ATOM 0 HB THR A 85 -1.856 -1.093 7.359 1.00 0.45 H new ATOM 0 HG1 THR A 85 -1.833 -3.273 7.875 1.00 1.14 H new ATOM 0 HG21 THR A 85 -3.872 -0.612 8.700 1.00 1.00 H new ATOM 0 HG22 THR A 85 -3.970 0.114 7.078 1.00 1.00 H new ATOM 0 HG23 THR A 85 -4.881 -1.370 7.446 1.00 1.00 H new ATOM 1337 N CYS A 86 -3.246 -0.191 4.098 1.00 0.30 N ATOM 1338 CA CYS A 86 -2.900 0.974 3.296 1.00 0.30 C ATOM 1339 C CYS A 86 -3.390 2.240 3.979 1.00 0.30 C ATOM 1340 O CYS A 86 -4.584 2.541 3.967 1.00 0.31 O ATOM 1341 CB CYS A 86 -3.504 0.866 1.894 1.00 0.36 C ATOM 1342 SG CYS A 86 -2.979 2.190 0.757 1.00 0.65 S ATOM 0 H CYS A 86 -4.212 -0.502 3.995 1.00 0.30 H new ATOM 0 HA CYS A 86 -1.815 1.017 3.200 1.00 0.30 H new ATOM 0 HB2 CYS A 86 -3.230 -0.098 1.465 1.00 0.36 H new ATOM 0 HB3 CYS A 86 -4.591 0.881 1.976 1.00 0.36 H new ATOM 1347 N VAL A 87 -2.462 2.985 4.563 1.00 0.29 N ATOM 1348 CA VAL A 87 -2.804 4.224 5.242 1.00 0.30 C ATOM 1349 C VAL A 87 -2.281 5.420 4.461 1.00 0.31 C ATOM 1350 O VAL A 87 -1.088 5.716 4.498 1.00 0.30 O ATOM 1351 CB VAL A 87 -2.228 4.259 6.671 1.00 0.33 C ATOM 1352 CG1 VAL A 87 -2.807 5.428 7.453 1.00 0.94 C ATOM 1353 CG2 VAL A 87 -2.494 2.946 7.387 1.00 0.97 C ATOM 0 H VAL A 87 -1.469 2.753 4.580 1.00 0.29 H new ATOM 0 HA VAL A 87 -3.891 4.273 5.303 1.00 0.30 H new ATOM 0 HB VAL A 87 -1.149 4.397 6.603 1.00 0.33 H new ATOM 0 HG11 VAL A 87 -2.388 5.436 8.459 1.00 0.94 H new ATOM 0 HG12 VAL A 87 -2.558 6.362 6.949 1.00 0.94 H new ATOM 0 HG13 VAL A 87 -3.891 5.325 7.512 1.00 0.94 H new ATOM 0 HG21 VAL A 87 -2.080 2.990 8.394 1.00 0.97 H new ATOM 0 HG22 VAL A 87 -3.569 2.774 7.444 1.00 0.97 H new ATOM 0 HG23 VAL A 87 -2.025 2.130 6.837 1.00 0.97 H new ATOM 1363 N VAL A 88 -3.170 6.110 3.757 1.00 0.32 N ATOM 1364 CA VAL A 88 -2.764 7.271 2.982 1.00 0.33 C ATOM 1365 C VAL A 88 -3.014 8.551 3.765 1.00 0.30 C ATOM 1366 O VAL A 88 -4.159 8.916 4.033 1.00 0.30 O ATOM 1367 CB VAL A 88 -3.522 7.348 1.642 1.00 0.36 C ATOM 1368 CG1 VAL A 88 -2.941 6.359 0.642 1.00 1.45 C ATOM 1369 CG2 VAL A 88 -5.007 7.094 1.852 1.00 1.50 C ATOM 0 H VAL A 88 -4.164 5.888 3.708 1.00 0.32 H new ATOM 0 HA VAL A 88 -1.698 7.165 2.779 1.00 0.33 H new ATOM 0 HB VAL A 88 -3.403 8.353 1.236 1.00 0.36 H new ATOM 0 HG11 VAL A 88 -3.489 6.428 -0.298 1.00 1.45 H new ATOM 0 HG12 VAL A 88 -1.891 6.592 0.468 1.00 1.45 H new ATOM 0 HG13 VAL A 88 -3.027 5.347 1.039 1.00 1.45 H new ATOM 0 HG21 VAL A 88 -5.525 7.153 0.895 1.00 1.50 H new ATOM 0 HG22 VAL A 88 -5.149 6.102 2.282 1.00 1.50 H new ATOM 0 HG23 VAL A 88 -5.412 7.845 2.530 1.00 1.50 H new ATOM 1379 N GLU A 89 -1.934 9.219 4.147 1.00 0.32 N ATOM 1380 CA GLU A 89 -2.037 10.447 4.920 1.00 0.32 C ATOM 1381 C GLU A 89 -1.627 11.661 4.099 1.00 0.31 C ATOM 1382 O GLU A 89 -0.875 11.551 3.132 1.00 0.32 O ATOM 1383 CB GLU A 89 -1.172 10.347 6.178 1.00 0.37 C ATOM 1384 CG GLU A 89 -1.106 11.635 6.979 1.00 0.43 C ATOM 1385 CD GLU A 89 -0.533 11.430 8.369 1.00 0.83 C ATOM 1386 OE1 GLU A 89 0.337 10.548 8.528 1.00 1.33 O ATOM 1387 OE2 GLU A 89 -0.953 12.152 9.296 1.00 1.46 O ATOM 0 H GLU A 89 -0.979 8.931 3.934 1.00 0.32 H new ATOM 0 HA GLU A 89 -3.081 10.576 5.207 1.00 0.32 H new ATOM 0 HB2 GLU A 89 -1.563 9.554 6.815 1.00 0.37 H new ATOM 0 HB3 GLU A 89 -0.161 10.056 5.891 1.00 0.37 H new ATOM 0 HG2 GLU A 89 -0.496 12.361 6.442 1.00 0.43 H new ATOM 0 HG3 GLU A 89 -2.107 12.059 7.062 1.00 0.43 H new ATOM 1394 N ASN A 90 -2.108 12.826 4.511 1.00 0.33 N ATOM 1395 CA ASN A 90 -1.780 14.077 3.843 1.00 0.36 C ATOM 1396 C ASN A 90 -1.629 15.182 4.880 1.00 0.43 C ATOM 1397 O ASN A 90 -1.910 14.977 6.062 1.00 0.39 O ATOM 1398 CB ASN A 90 -2.849 14.462 2.811 1.00 0.37 C ATOM 1399 CG ASN A 90 -4.225 13.903 3.139 1.00 0.52 C ATOM 1400 OD1 ASN A 90 -4.513 12.738 2.869 1.00 1.54 O ATOM 1401 ND2 ASN A 90 -5.079 14.736 3.722 1.00 0.86 N ATOM 0 H ASN A 90 -2.732 12.930 5.311 1.00 0.33 H new ATOM 0 HA ASN A 90 -0.840 13.943 3.309 1.00 0.36 H new ATOM 0 HB2 ASN A 90 -2.910 15.548 2.749 1.00 0.37 H new ATOM 0 HB3 ASN A 90 -2.543 14.103 1.828 1.00 0.37 H new ATOM 0 HD21 ASN A 90 -6.017 14.417 3.964 1.00 0.86 H new ATOM 0 HD22 ASN A 90 -4.797 15.694 3.927 1.00 0.86 H new ATOM 1408 N GLU A 91 -1.200 16.354 4.439 1.00 0.57 N ATOM 1409 CA GLU A 91 -1.036 17.486 5.343 1.00 0.66 C ATOM 1410 C GLU A 91 -2.382 17.928 5.925 1.00 0.68 C ATOM 1411 O GLU A 91 -2.424 18.719 6.869 1.00 0.75 O ATOM 1412 CB GLU A 91 -0.377 18.661 4.615 1.00 0.76 C ATOM 1413 CG GLU A 91 0.253 19.679 5.552 1.00 1.15 C ATOM 1414 CD GLU A 91 1.744 19.470 5.723 1.00 1.72 C ATOM 1415 OE1 GLU A 91 2.227 18.358 5.421 1.00 2.24 O ATOM 1416 OE2 GLU A 91 2.432 20.418 6.156 1.00 2.34 O ATOM 0 H GLU A 91 -0.960 16.548 3.467 1.00 0.57 H new ATOM 0 HA GLU A 91 -0.393 17.166 6.163 1.00 0.66 H new ATOM 0 HB2 GLU A 91 0.389 18.277 3.941 1.00 0.76 H new ATOM 0 HB3 GLU A 91 -1.124 19.161 3.998 1.00 0.76 H new ATOM 0 HG2 GLU A 91 0.073 20.682 5.166 1.00 1.15 H new ATOM 0 HG3 GLU A 91 -0.232 19.620 6.526 1.00 1.15 H new ATOM 1423 N TYR A 92 -3.483 17.434 5.349 1.00 0.64 N ATOM 1424 CA TYR A 92 -4.818 17.809 5.811 1.00 0.68 C ATOM 1425 C TYR A 92 -5.526 16.674 6.557 1.00 0.60 C ATOM 1426 O TYR A 92 -6.670 16.833 6.982 1.00 0.63 O ATOM 1427 CB TYR A 92 -5.675 18.257 4.626 1.00 0.75 C ATOM 1428 CG TYR A 92 -5.821 19.758 4.513 1.00 1.12 C ATOM 1429 CD1 TYR A 92 -6.786 20.439 5.246 1.00 1.54 C ATOM 1430 CD2 TYR A 92 -4.995 20.494 3.674 1.00 1.64 C ATOM 1431 CE1 TYR A 92 -6.922 21.810 5.145 1.00 2.05 C ATOM 1432 CE2 TYR A 92 -5.124 21.865 3.568 1.00 2.10 C ATOM 1433 CZ TYR A 92 -6.088 22.519 4.305 1.00 2.19 C ATOM 1434 OH TYR A 92 -6.220 23.884 4.201 1.00 2.77 O ATOM 0 H TYR A 92 -3.474 16.778 4.568 1.00 0.64 H new ATOM 0 HA TYR A 92 -4.691 18.631 6.515 1.00 0.68 H new ATOM 0 HB2 TYR A 92 -5.235 17.874 3.705 1.00 0.75 H new ATOM 0 HB3 TYR A 92 -6.665 17.810 4.716 1.00 0.75 H new ATOM 0 HD1 TYR A 92 -7.440 19.887 5.905 1.00 1.54 H new ATOM 0 HD2 TYR A 92 -4.239 19.986 3.094 1.00 1.64 H new ATOM 0 HE1 TYR A 92 -7.677 22.324 5.721 1.00 2.05 H new ATOM 0 HE2 TYR A 92 -4.473 22.422 2.911 1.00 2.10 H new ATOM 0 HH TYR A 92 -5.556 24.230 3.569 1.00 2.77 H new ATOM 1444 N GLY A 93 -4.860 15.532 6.719 1.00 0.52 N ATOM 1445 CA GLY A 93 -5.488 14.419 7.419 1.00 0.47 C ATOM 1446 C GLY A 93 -4.906 13.067 7.057 1.00 0.40 C ATOM 1447 O GLY A 93 -4.126 12.947 6.110 1.00 0.40 O ATOM 0 H GLY A 93 -3.912 15.357 6.385 1.00 0.52 H new ATOM 0 HA2 GLY A 93 -5.386 14.573 8.493 1.00 0.47 H new ATOM 0 HA3 GLY A 93 -6.555 14.417 7.197 1.00 0.47 H new ATOM 1451 N SER A 94 -5.289 12.044 7.822 1.00 0.38 N ATOM 1452 CA SER A 94 -4.807 10.686 7.593 1.00 0.34 C ATOM 1453 C SER A 94 -5.961 9.688 7.531 1.00 0.34 C ATOM 1454 O SER A 94 -6.918 9.780 8.300 1.00 0.38 O ATOM 1455 CB SER A 94 -3.827 10.278 8.694 1.00 0.35 C ATOM 1456 OG SER A 94 -3.505 11.380 9.525 1.00 1.04 O ATOM 0 H SER A 94 -5.934 12.133 8.607 1.00 0.38 H new ATOM 0 HA SER A 94 -4.295 10.674 6.631 1.00 0.34 H new ATOM 0 HB2 SER A 94 -4.263 9.480 9.295 1.00 0.35 H new ATOM 0 HB3 SER A 94 -2.917 9.879 8.246 1.00 0.35 H new ATOM 0 HG SER A 94 -2.537 11.402 9.679 1.00 1.04 H new ATOM 1462 N ILE A 95 -5.862 8.734 6.606 1.00 0.32 N ATOM 1463 CA ILE A 95 -6.896 7.712 6.434 1.00 0.34 C ATOM 1464 C ILE A 95 -6.290 6.313 6.533 1.00 0.31 C ATOM 1465 O ILE A 95 -5.100 6.128 6.279 1.00 0.29 O ATOM 1466 CB ILE A 95 -7.631 7.851 5.078 1.00 0.38 C ATOM 1467 CG1 ILE A 95 -7.530 9.287 4.537 1.00 0.41 C ATOM 1468 CG2 ILE A 95 -9.088 7.436 5.233 1.00 0.44 C ATOM 1469 CD1 ILE A 95 -8.451 9.570 3.370 1.00 0.47 C ATOM 0 H ILE A 95 -5.075 8.647 5.963 1.00 0.32 H new ATOM 0 HA ILE A 95 -7.621 7.860 7.234 1.00 0.34 H new ATOM 0 HB ILE A 95 -7.150 7.191 4.356 1.00 0.38 H new ATOM 0 HG12 ILE A 95 -7.756 9.985 5.343 1.00 0.41 H new ATOM 0 HG13 ILE A 95 -6.502 9.477 4.230 1.00 0.41 H new ATOM 0 HG21 ILE A 95 -9.599 7.536 4.275 1.00 0.44 H new ATOM 0 HG22 ILE A 95 -9.138 6.399 5.564 1.00 0.44 H new ATOM 0 HG23 ILE A 95 -9.572 8.076 5.971 1.00 0.44 H new ATOM 0 HD11 ILE A 95 -8.321 10.603 3.046 1.00 0.47 H new ATOM 0 HD12 ILE A 95 -8.211 8.898 2.546 1.00 0.47 H new ATOM 0 HD13 ILE A 95 -9.485 9.414 3.676 1.00 0.47 H new ATOM 1481 N ASN A 96 -7.103 5.329 6.918 1.00 0.34 N ATOM 1482 CA ASN A 96 -6.620 3.954 7.062 1.00 0.34 C ATOM 1483 C ASN A 96 -7.442 2.961 6.238 1.00 0.34 C ATOM 1484 O ASN A 96 -8.670 3.027 6.205 1.00 0.38 O ATOM 1485 CB ASN A 96 -6.644 3.538 8.535 1.00 0.38 C ATOM 1486 CG ASN A 96 -6.272 4.672 9.473 1.00 1.12 C ATOM 1487 OD1 ASN A 96 -5.168 4.708 10.015 1.00 2.04 O ATOM 1488 ND2 ASN A 96 -7.197 5.607 9.667 1.00 1.12 N ATOM 0 H ASN A 96 -8.092 5.456 7.134 1.00 0.34 H new ATOM 0 HA ASN A 96 -5.597 3.933 6.685 1.00 0.34 H new ATOM 0 HB2 ASN A 96 -7.640 3.174 8.789 1.00 0.38 H new ATOM 0 HB3 ASN A 96 -5.954 2.708 8.685 1.00 0.38 H new ATOM 0 HD21 ASN A 96 -7.004 6.394 10.286 1.00 1.12 H new ATOM 0 HD22 ASN A 96 -8.099 5.537 9.197 1.00 1.12 H new ATOM 1495 N HIS A 97 -6.741 2.028 5.591 1.00 0.32 N ATOM 1496 CA HIS A 97 -7.384 0.993 4.779 1.00 0.34 C ATOM 1497 C HIS A 97 -6.748 -0.370 5.060 1.00 0.33 C ATOM 1498 O HIS A 97 -5.527 -0.493 5.097 1.00 0.33 O ATOM 1499 CB HIS A 97 -7.266 1.329 3.292 1.00 0.36 C ATOM 1500 CG HIS A 97 -7.957 2.601 2.911 1.00 0.43 C ATOM 1501 ND1 HIS A 97 -7.286 3.714 2.449 1.00 1.25 N ATOM 1502 CD2 HIS A 97 -9.270 2.935 2.928 1.00 1.06 C ATOM 1503 CE1 HIS A 97 -8.155 4.677 2.200 1.00 1.06 C ATOM 1504 NE2 HIS A 97 -9.366 4.229 2.480 1.00 0.85 N ATOM 0 H HIS A 97 -5.723 1.968 5.614 1.00 0.32 H new ATOM 0 HA HIS A 97 -8.440 0.952 5.045 1.00 0.34 H new ATOM 0 HB2 HIS A 97 -6.211 1.404 3.027 1.00 0.36 H new ATOM 0 HB3 HIS A 97 -7.684 0.509 2.708 1.00 0.36 H new ATOM 0 HD2 HIS A 97 -10.088 2.301 3.236 1.00 1.06 H new ATOM 0 HE1 HIS A 97 -7.916 5.663 1.830 1.00 1.06 H new ATOM 0 HE2 HIS A 97 -10.232 4.759 2.380 1.00 0.85 H new ATOM 1513 N THR A 98 -7.575 -1.391 5.270 1.00 0.35 N ATOM 1514 CA THR A 98 -7.067 -2.730 5.560 1.00 0.35 C ATOM 1515 C THR A 98 -7.454 -3.746 4.484 1.00 0.35 C ATOM 1516 O THR A 98 -8.544 -3.679 3.918 1.00 0.36 O ATOM 1517 CB THR A 98 -7.572 -3.234 6.924 1.00 0.38 C ATOM 1518 OG1 THR A 98 -7.357 -4.645 7.039 1.00 1.33 O ATOM 1519 CG2 THR A 98 -9.054 -2.928 7.094 1.00 1.36 C ATOM 0 H THR A 98 -8.592 -1.319 5.245 1.00 0.35 H new ATOM 0 HA THR A 98 -5.981 -2.642 5.578 1.00 0.35 H new ATOM 0 HB THR A 98 -7.014 -2.719 7.706 1.00 0.38 H new ATOM 0 HG1 THR A 98 -7.680 -4.955 7.911 1.00 1.33 H new ATOM 0 HG21 THR A 98 -9.392 -3.292 8.064 1.00 1.36 H new ATOM 0 HG22 THR A 98 -9.212 -1.851 7.035 1.00 1.36 H new ATOM 0 HG23 THR A 98 -9.620 -3.421 6.304 1.00 1.36 H new ATOM 1527 N TYR A 99 -6.556 -4.699 4.227 1.00 0.39 N ATOM 1528 CA TYR A 99 -6.797 -5.749 3.239 1.00 0.42 C ATOM 1529 C TYR A 99 -6.435 -7.117 3.818 1.00 0.42 C ATOM 1530 O TYR A 99 -5.385 -7.282 4.440 1.00 0.45 O ATOM 1531 CB TYR A 99 -6.000 -5.487 1.958 1.00 0.53 C ATOM 1532 CG TYR A 99 -6.004 -4.038 1.527 1.00 0.57 C ATOM 1533 CD1 TYR A 99 -7.183 -3.306 1.495 1.00 0.73 C ATOM 1534 CD2 TYR A 99 -4.828 -3.405 1.149 1.00 0.85 C ATOM 1535 CE1 TYR A 99 -7.190 -1.983 1.099 1.00 0.81 C ATOM 1536 CE2 TYR A 99 -4.827 -2.081 0.752 1.00 0.96 C ATOM 1537 CZ TYR A 99 -6.010 -1.375 0.730 1.00 0.81 C ATOM 1538 OH TYR A 99 -6.013 -0.058 0.335 1.00 0.96 O ATOM 0 H TYR A 99 -5.651 -4.764 4.693 1.00 0.39 H new ATOM 0 HA TYR A 99 -7.858 -5.743 2.988 1.00 0.42 H new ATOM 0 HB2 TYR A 99 -4.970 -5.809 2.109 1.00 0.53 H new ATOM 0 HB3 TYR A 99 -6.410 -6.098 1.154 1.00 0.53 H new ATOM 0 HD1 TYR A 99 -8.110 -3.779 1.784 1.00 0.73 H new ATOM 0 HD2 TYR A 99 -3.899 -3.956 1.165 1.00 0.85 H new ATOM 0 HE1 TYR A 99 -8.116 -1.428 1.079 1.00 0.81 H new ATOM 0 HE2 TYR A 99 -3.904 -1.602 0.461 1.00 0.96 H new ATOM 0 HH TYR A 99 -6.730 0.422 0.801 1.00 0.96 H new ATOM 1548 N HIS A 100 -7.332 -8.084 3.645 1.00 0.41 N ATOM 1549 CA HIS A 100 -7.121 -9.423 4.195 1.00 0.44 C ATOM 1550 C HIS A 100 -6.437 -10.384 3.214 1.00 0.42 C ATOM 1551 O HIS A 100 -7.065 -10.923 2.318 1.00 0.45 O ATOM 1552 CB HIS A 100 -8.454 -10.014 4.655 1.00 0.53 C ATOM 1553 CG HIS A 100 -9.100 -9.234 5.755 1.00 0.82 C ATOM 1554 ND1 HIS A 100 -10.308 -8.582 5.609 1.00 1.39 N ATOM 1555 CD2 HIS A 100 -8.703 -9.001 7.029 1.00 1.62 C ATOM 1556 CE1 HIS A 100 -10.623 -7.982 6.743 1.00 1.53 C ATOM 1557 NE2 HIS A 100 -9.665 -8.221 7.619 1.00 1.70 N ATOM 0 H HIS A 100 -8.206 -7.969 3.132 1.00 0.41 H new ATOM 0 HA HIS A 100 -6.445 -9.307 5.042 1.00 0.44 H new ATOM 0 HB2 HIS A 100 -9.135 -10.062 3.805 1.00 0.53 H new ATOM 0 HB3 HIS A 100 -8.292 -11.038 4.992 1.00 0.53 H new ATOM 0 HD2 HIS A 100 -7.798 -9.362 7.494 1.00 1.62 H new ATOM 0 HE1 HIS A 100 -11.512 -7.396 6.923 1.00 1.53 H new ATOM 0 HE2 HIS A 100 -9.643 -7.880 8.580 1.00 1.70 H new ATOM 1566 N LEU A 101 -5.150 -10.635 3.413 1.00 0.44 N ATOM 1567 CA LEU A 101 -4.427 -11.561 2.543 1.00 0.45 C ATOM 1568 C LEU A 101 -4.154 -12.884 3.254 1.00 0.48 C ATOM 1569 O LEU A 101 -4.020 -12.929 4.475 1.00 0.53 O ATOM 1570 CB LEU A 101 -3.114 -10.952 2.047 1.00 0.51 C ATOM 1571 CG LEU A 101 -3.050 -9.423 2.073 1.00 1.07 C ATOM 1572 CD1 LEU A 101 -1.605 -8.951 2.003 1.00 1.90 C ATOM 1573 CD2 LEU A 101 -3.860 -8.837 0.925 1.00 1.63 C ATOM 0 H LEU A 101 -4.589 -10.219 4.157 1.00 0.44 H new ATOM 0 HA LEU A 101 -5.063 -11.754 1.679 1.00 0.45 H new ATOM 0 HB2 LEU A 101 -2.299 -11.344 2.655 1.00 0.51 H new ATOM 0 HB3 LEU A 101 -2.940 -11.289 1.025 1.00 0.51 H new ATOM 0 HG LEU A 101 -3.481 -9.074 3.011 1.00 1.07 H new ATOM 0 HD11 LEU A 101 -1.577 -7.862 2.022 1.00 1.90 H new ATOM 0 HD12 LEU A 101 -1.052 -9.344 2.856 1.00 1.90 H new ATOM 0 HD13 LEU A 101 -1.150 -9.309 1.080 1.00 1.90 H new ATOM 0 HD21 LEU A 101 -3.804 -7.749 0.958 1.00 1.63 H new ATOM 0 HD22 LEU A 101 -3.457 -9.192 -0.023 1.00 1.63 H new ATOM 0 HD23 LEU A 101 -4.900 -9.150 1.017 1.00 1.63 H new ATOM 1585 N ASP A 102 -4.076 -13.963 2.483 1.00 0.50 N ATOM 1586 CA ASP A 102 -3.816 -15.284 3.043 1.00 0.57 C ATOM 1587 C ASP A 102 -2.522 -15.858 2.477 1.00 0.54 C ATOM 1588 O ASP A 102 -2.318 -15.871 1.263 1.00 0.53 O ATOM 1589 CB ASP A 102 -4.982 -16.228 2.739 1.00 0.65 C ATOM 1590 CG ASP A 102 -5.557 -16.861 3.990 1.00 1.31 C ATOM 1591 OD1 ASP A 102 -5.079 -17.946 4.380 1.00 1.38 O ATOM 1592 OD2 ASP A 102 -6.487 -16.272 4.580 1.00 2.34 O ATOM 0 H ASP A 102 -4.189 -13.949 1.469 1.00 0.50 H new ATOM 0 HA ASP A 102 -3.713 -15.185 4.124 1.00 0.57 H new ATOM 0 HB2 ASP A 102 -5.767 -15.676 2.221 1.00 0.65 H new ATOM 0 HB3 ASP A 102 -4.644 -17.012 2.062 1.00 0.65 H new ATOM 1597 N VAL A 103 -1.647 -16.326 3.361 1.00 0.63 N ATOM 1598 CA VAL A 103 -0.373 -16.896 2.942 1.00 0.68 C ATOM 1599 C VAL A 103 -0.537 -18.336 2.470 1.00 0.66 C ATOM 1600 O VAL A 103 -1.058 -19.182 3.197 1.00 0.75 O ATOM 1601 CB VAL A 103 0.663 -16.859 4.082 1.00 0.89 C ATOM 1602 CG1 VAL A 103 0.224 -17.751 5.232 1.00 1.56 C ATOM 1603 CG2 VAL A 103 2.034 -17.271 3.568 1.00 1.60 C ATOM 0 H VAL A 103 -1.797 -16.322 4.370 1.00 0.63 H new ATOM 0 HA VAL A 103 -0.016 -16.285 2.113 1.00 0.68 H new ATOM 0 HB VAL A 103 0.732 -15.837 4.454 1.00 0.89 H new ATOM 0 HG11 VAL A 103 0.968 -17.712 6.027 1.00 1.56 H new ATOM 0 HG12 VAL A 103 -0.736 -17.404 5.616 1.00 1.56 H new ATOM 0 HG13 VAL A 103 0.124 -18.777 4.879 1.00 1.56 H new ATOM 0 HG21 VAL A 103 2.754 -17.239 4.386 1.00 1.60 H new ATOM 0 HG22 VAL A 103 1.983 -18.284 3.168 1.00 1.60 H new ATOM 0 HG23 VAL A 103 2.349 -16.586 2.781 1.00 1.60 H new ATOM 1613 N VAL A 104 -0.083 -18.608 1.251 1.00 0.66 N ATOM 1614 CA VAL A 104 -0.175 -19.946 0.682 1.00 0.73 C ATOM 1615 C VAL A 104 1.195 -20.452 0.245 1.00 0.83 C ATOM 1616 O VAL A 104 1.827 -19.875 -0.642 1.00 0.84 O ATOM 1617 CB VAL A 104 -1.135 -19.985 -0.521 1.00 0.86 C ATOM 1618 CG1 VAL A 104 -1.268 -21.404 -1.051 1.00 1.44 C ATOM 1619 CG2 VAL A 104 -2.495 -19.423 -0.136 1.00 1.27 C ATOM 0 H VAL A 104 0.353 -17.918 0.638 1.00 0.66 H new ATOM 0 HA VAL A 104 -0.566 -20.595 1.466 1.00 0.73 H new ATOM 0 HB VAL A 104 -0.721 -19.362 -1.314 1.00 0.86 H new ATOM 0 HG11 VAL A 104 -1.950 -21.412 -1.901 1.00 1.44 H new ATOM 0 HG12 VAL A 104 -0.290 -21.768 -1.367 1.00 1.44 H new ATOM 0 HG13 VAL A 104 -1.659 -22.051 -0.265 1.00 1.44 H new ATOM 0 HG21 VAL A 104 -3.161 -19.458 -0.998 1.00 1.27 H new ATOM 0 HG22 VAL A 104 -2.918 -20.017 0.674 1.00 1.27 H new ATOM 0 HG23 VAL A 104 -2.382 -18.390 0.193 1.00 1.27 H new