USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 48 THR OG1 : rot 163:sc= 1.36 USER MOD Set 1.2: A 83 HIS : no HE2:sc= 0.078 K(o=1,f=-0.63) USER MOD Set 1.3: A 85 MET CE :methyl -150:sc= -0.437 (180deg=-0.848) USER MOD Single : A 1 GLY N :NH3+ -146:sc= 0.964 (180deg=0.0154) USER MOD Single : A 2 SER OG : rot 35:sc= 1.24 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 21:sc= 1.1 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 19 TYR OH : rot -153:sc= 1.17 USER MOD Single : A 21 THR OG1 : rot 67:sc= 1.18 USER MOD Single : A 24 ASN : amide:sc= 1.2 K(o=1.2,f=-5!) USER MOD Single : A 37 THR OG1 : rot 73:sc= 0.143 USER MOD Single : A 46 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-3.5!) USER MOD Single : A 50 MET CE :methyl -142:sc= 0 (180deg=-0.00854) USER MOD Single : A 56 LYS NZ :NH3+ 146:sc= 0.692 (180deg=-1.92!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc= 2.58 (180deg=2.43) USER MOD Single : A 59 MET CE :methyl 180:sc= -0.102 (180deg=-0.102) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 132:sc= 0.492 (180deg=-0.382!) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.506 (180deg=-0.923) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= 0.463 (180deg=-1.13!) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0.377 (180deg=-0.111) USER MOD Single : A 109 LYS NZ :NH3+ -172:sc= -0.193 (180deg=-0.198) USER MOD Single : A 112 LYS NZ :NH3+ -96:sc= 0.581 (180deg=-2.21!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.804 -4.911 5.196 1.00 13.29 N ATOM 2 CA GLY A 1 11.044 -3.764 4.661 1.00 12.94 C ATOM 3 C GLY A 1 11.850 -2.474 4.671 1.00 12.33 C ATOM 4 O GLY A 1 12.319 -2.074 5.732 1.00 13.28 O ATOM 0 H1 GLY A 1 11.528 -5.777 4.690 1.00 13.29 H new ATOM 0 H2 GLY A 1 12.822 -4.744 5.066 1.00 13.29 H new ATOM 0 H3 GLY A 1 11.598 -5.022 6.209 1.00 13.29 H new ATOM 0 HA2 GLY A 1 10.730 -3.985 3.641 1.00 12.94 H new ATOM 0 HA3 GLY A 1 10.137 -3.627 5.250 1.00 12.94 H new ATOM 10 N SER A 2 11.987 -1.800 3.522 1.00 11.08 N ATOM 11 CA SER A 2 12.613 -0.477 3.271 1.00 10.69 C ATOM 12 C SER A 2 12.566 -0.161 1.762 1.00 9.38 C ATOM 13 O SER A 2 12.098 -1.005 1.006 1.00 8.98 O ATOM 14 CB SER A 2 14.062 -0.416 3.791 1.00 10.72 C ATOM 15 OG SER A 2 14.071 -0.153 5.177 1.00 11.87 O ATOM 0 H SER A 2 11.630 -2.199 2.654 1.00 11.08 H new ATOM 0 HA SER A 2 12.045 0.275 3.819 1.00 10.69 H new ATOM 0 HB2 SER A 2 14.569 -1.360 3.589 1.00 10.72 H new ATOM 0 HB3 SER A 2 14.614 0.361 3.262 1.00 10.72 H new ATOM 0 HG SER A 2 13.303 -0.592 5.598 1.00 11.87 H new ATOM 21 N PHE A 3 13.096 0.983 1.298 1.00 9.12 N ATOM 22 CA PHE A 3 13.105 1.450 -0.109 1.00 8.37 C ATOM 23 C PHE A 3 13.799 0.524 -1.143 1.00 6.38 C ATOM 24 O PHE A 3 13.936 0.864 -2.324 1.00 6.50 O ATOM 25 CB PHE A 3 13.719 2.862 -0.134 1.00 9.84 C ATOM 26 CG PHE A 3 15.175 2.933 0.299 1.00 10.66 C ATOM 27 CD1 PHE A 3 16.208 2.739 -0.641 1.00 10.62 C ATOM 28 CD2 PHE A 3 15.500 3.190 1.645 1.00 11.79 C ATOM 29 CE1 PHE A 3 17.553 2.793 -0.235 1.00 11.59 C ATOM 30 CE2 PHE A 3 16.846 3.237 2.051 1.00 12.73 C ATOM 31 CZ PHE A 3 17.872 3.039 1.113 1.00 12.59 C ATOM 0 H PHE A 3 13.555 1.646 1.923 1.00 9.12 H new ATOM 0 HA PHE A 3 12.066 1.444 -0.439 1.00 8.37 H new ATOM 0 HB2 PHE A 3 13.636 3.261 -1.145 1.00 9.84 H new ATOM 0 HB3 PHE A 3 13.130 3.510 0.514 1.00 9.84 H new ATOM 0 HD1 PHE A 3 15.965 2.548 -1.676 1.00 10.62 H new ATOM 0 HD2 PHE A 3 14.714 3.351 2.367 1.00 11.79 H new ATOM 0 HE1 PHE A 3 18.342 2.646 -0.958 1.00 11.59 H new ATOM 0 HE2 PHE A 3 17.091 3.426 3.086 1.00 12.73 H new ATOM 0 HZ PHE A 3 18.905 3.076 1.426 1.00 12.59 H new ATOM 41 N THR A 4 14.254 -0.653 -0.703 1.00 5.43 N ATOM 42 CA THR A 4 14.727 -1.784 -1.513 1.00 4.38 C ATOM 43 C THR A 4 13.560 -2.626 -2.030 1.00 2.87 C ATOM 44 O THR A 4 13.690 -3.280 -3.061 1.00 3.04 O ATOM 45 CB THR A 4 15.626 -2.681 -0.644 1.00 6.16 C ATOM 46 OG1 THR A 4 16.509 -1.879 0.105 1.00 7.69 O ATOM 47 CG2 THR A 4 16.475 -3.648 -1.468 1.00 7.18 C ATOM 0 H THR A 4 14.306 -0.856 0.295 1.00 5.43 H new ATOM 0 HA THR A 4 15.276 -1.385 -2.366 1.00 4.38 H new ATOM 0 HB THR A 4 14.959 -3.260 -0.006 1.00 6.16 H new ATOM 0 HG1 THR A 4 17.080 -2.451 0.659 1.00 7.69 H new ATOM 0 HG21 THR A 4 17.088 -4.254 -0.800 1.00 7.18 H new ATOM 0 HG22 THR A 4 15.823 -4.298 -2.052 1.00 7.18 H new ATOM 0 HG23 THR A 4 17.121 -3.083 -2.140 1.00 7.18 H new ATOM 55 N GLU A 5 12.429 -2.606 -1.323 1.00 1.99 N ATOM 56 CA GLU A 5 11.594 -3.776 -1.046 1.00 1.12 C ATOM 57 C GLU A 5 10.137 -3.381 -0.777 1.00 0.88 C ATOM 58 O GLU A 5 9.870 -2.416 -0.064 1.00 1.24 O ATOM 59 CB GLU A 5 12.170 -4.426 0.229 1.00 2.28 C ATOM 60 CG GLU A 5 11.264 -5.472 0.905 1.00 4.06 C ATOM 61 CD GLU A 5 11.759 -5.892 2.295 1.00 5.64 C ATOM 62 OE1 GLU A 5 12.826 -5.406 2.732 1.00 6.20 O ATOM 63 OE2 GLU A 5 10.980 -6.487 3.070 1.00 6.92 O ATOM 0 H GLU A 5 12.057 -1.748 -0.915 1.00 1.99 H new ATOM 0 HA GLU A 5 11.601 -4.447 -1.905 1.00 1.12 H new ATOM 0 HB2 GLU A 5 13.119 -4.900 -0.022 1.00 2.28 H new ATOM 0 HB3 GLU A 5 12.388 -3.639 0.951 1.00 2.28 H new ATOM 0 HG2 GLU A 5 10.256 -5.068 0.992 1.00 4.06 H new ATOM 0 HG3 GLU A 5 11.200 -6.354 0.268 1.00 4.06 H new ATOM 70 N GLY A 6 9.170 -4.166 -1.258 1.00 1.16 N ATOM 71 CA GLY A 6 7.797 -4.095 -0.752 1.00 1.31 C ATOM 72 C GLY A 6 7.459 -5.226 0.210 1.00 1.30 C ATOM 73 O GLY A 6 7.988 -6.323 0.066 1.00 1.41 O ATOM 0 H GLY A 6 9.312 -4.856 -1.995 1.00 1.16 H new ATOM 0 HA2 GLY A 6 7.650 -3.140 -0.247 1.00 1.31 H new ATOM 0 HA3 GLY A 6 7.104 -4.121 -1.593 1.00 1.31 H new ATOM 77 N TRP A 7 6.560 -4.968 1.165 1.00 1.23 N ATOM 78 CA TRP A 7 6.203 -5.930 2.208 1.00 1.17 C ATOM 79 C TRP A 7 4.786 -5.729 2.767 1.00 1.05 C ATOM 80 O TRP A 7 4.283 -4.609 2.827 1.00 1.05 O ATOM 81 CB TRP A 7 7.227 -5.895 3.350 1.00 1.30 C ATOM 82 CG TRP A 7 7.240 -4.686 4.242 1.00 1.36 C ATOM 83 CD1 TRP A 7 6.712 -4.639 5.486 1.00 1.37 C ATOM 84 CD2 TRP A 7 7.790 -3.353 3.999 1.00 1.48 C ATOM 85 NE1 TRP A 7 6.950 -3.402 6.049 1.00 1.48 N ATOM 86 CE2 TRP A 7 7.580 -2.556 5.164 1.00 1.55 C ATOM 87 CE3 TRP A 7 8.443 -2.730 2.914 1.00 1.60 C ATOM 88 CZ2 TRP A 7 7.980 -1.213 5.245 1.00 1.71 C ATOM 89 CZ3 TRP A 7 8.843 -1.382 2.979 1.00 1.77 C ATOM 90 CH2 TRP A 7 8.615 -0.623 4.138 1.00 1.82 C ATOM 0 H TRP A 7 6.059 -4.082 1.235 1.00 1.23 H new ATOM 0 HA TRP A 7 6.216 -6.910 1.731 1.00 1.17 H new ATOM 0 HB2 TRP A 7 7.061 -6.772 3.976 1.00 1.30 H new ATOM 0 HB3 TRP A 7 8.220 -5.999 2.913 1.00 1.30 H new ATOM 0 HD1 TRP A 7 6.183 -5.449 5.967 1.00 1.37 H new ATOM 0 HE1 TRP A 7 6.691 -3.146 7.002 1.00 1.48 H new ATOM 0 HE3 TRP A 7 8.640 -3.298 2.017 1.00 1.60 H new ATOM 0 HZ2 TRP A 7 7.803 -0.642 6.144 1.00 1.71 H new ATOM 0 HZ3 TRP A 7 9.330 -0.927 2.129 1.00 1.77 H new ATOM 0 HH2 TRP A 7 8.926 0.410 4.179 1.00 1.82 H new ATOM 101 N VAL A 8 4.159 -6.807 3.240 1.00 1.00 N ATOM 102 CA VAL A 8 2.805 -6.770 3.834 1.00 1.01 C ATOM 103 C VAL A 8 2.872 -7.040 5.344 1.00 1.01 C ATOM 104 O VAL A 8 3.745 -7.771 5.805 1.00 1.10 O ATOM 105 CB VAL A 8 1.849 -7.712 3.072 1.00 1.13 C ATOM 106 CG1 VAL A 8 0.443 -7.703 3.688 1.00 1.22 C ATOM 107 CG2 VAL A 8 1.769 -7.251 1.604 1.00 1.21 C ATOM 0 H VAL A 8 4.571 -7.740 3.226 1.00 1.00 H new ATOM 0 HA VAL A 8 2.386 -5.770 3.725 1.00 1.01 H new ATOM 0 HB VAL A 8 2.236 -8.729 3.136 1.00 1.13 H new ATOM 0 HG11 VAL A 8 -0.204 -8.377 3.127 1.00 1.22 H new ATOM 0 HG12 VAL A 8 0.498 -8.033 4.725 1.00 1.22 H new ATOM 0 HG13 VAL A 8 0.035 -6.693 3.650 1.00 1.22 H new ATOM 0 HG21 VAL A 8 1.096 -7.908 1.052 1.00 1.21 H new ATOM 0 HG22 VAL A 8 1.392 -6.229 1.564 1.00 1.21 H new ATOM 0 HG23 VAL A 8 2.762 -7.289 1.156 1.00 1.21 H new ATOM 117 N ARG A 9 2.013 -6.378 6.135 1.00 1.00 N ATOM 118 CA ARG A 9 2.271 -6.136 7.560 1.00 1.08 C ATOM 119 C ARG A 9 1.795 -7.262 8.486 1.00 1.08 C ATOM 120 O ARG A 9 0.591 -7.436 8.690 1.00 1.52 O ATOM 121 CB ARG A 9 1.631 -4.791 7.935 1.00 1.22 C ATOM 122 CG ARG A 9 2.193 -4.179 9.216 1.00 1.52 C ATOM 123 CD ARG A 9 1.466 -4.525 10.512 1.00 1.71 C ATOM 124 NE ARG A 9 2.111 -3.808 11.623 1.00 2.21 N ATOM 125 CZ ARG A 9 1.541 -3.204 12.650 1.00 2.75 C ATOM 126 NH1 ARG A 9 0.268 -3.354 12.950 1.00 3.16 N ATOM 127 NH2 ARG A 9 2.293 -2.431 13.392 1.00 3.74 N ATOM 0 H ARG A 9 1.126 -5.998 5.806 1.00 1.00 H new ATOM 0 HA ARG A 9 3.351 -6.108 7.707 1.00 1.08 H new ATOM 0 HB2 ARG A 9 1.775 -4.089 7.114 1.00 1.22 H new ATOM 0 HB3 ARG A 9 0.556 -4.930 8.051 1.00 1.22 H new ATOM 0 HG2 ARG A 9 3.233 -4.490 9.315 1.00 1.52 H new ATOM 0 HG3 ARG A 9 2.194 -3.095 9.104 1.00 1.52 H new ATOM 0 HD2 ARG A 9 0.415 -4.245 10.442 1.00 1.71 H new ATOM 0 HD3 ARG A 9 1.498 -5.600 10.687 1.00 1.71 H new ATOM 0 HE ARG A 9 3.130 -3.773 11.597 1.00 2.21 H new ATOM 0 HH11 ARG A 9 -0.323 -3.958 12.379 1.00 3.16 H new ATOM 0 HH12 ARG A 9 -0.127 -2.866 13.754 1.00 3.16 H new ATOM 0 HH21 ARG A 9 3.281 -2.313 13.168 1.00 3.74 H new ATOM 0 HH22 ARG A 9 1.891 -1.946 14.194 1.00 3.74 H new ATOM 141 N PHE A 10 2.728 -7.961 9.149 1.00 1.26 N ATOM 142 CA PHE A 10 2.389 -8.975 10.163 1.00 1.42 C ATOM 143 C PHE A 10 1.666 -8.359 11.370 1.00 1.44 C ATOM 144 O PHE A 10 2.201 -7.494 12.060 1.00 1.76 O ATOM 145 CB PHE A 10 3.627 -9.773 10.620 1.00 1.75 C ATOM 146 CG PHE A 10 3.408 -10.638 11.863 1.00 1.89 C ATOM 147 CD1 PHE A 10 2.245 -11.424 12.002 1.00 1.85 C ATOM 148 CD2 PHE A 10 4.345 -10.622 12.915 1.00 3.08 C ATOM 149 CE1 PHE A 10 2.007 -12.158 13.176 1.00 2.00 C ATOM 150 CE2 PHE A 10 4.112 -11.362 14.089 1.00 3.25 C ATOM 151 CZ PHE A 10 2.937 -12.122 14.225 1.00 2.29 C ATOM 0 H PHE A 10 3.730 -7.843 9.001 1.00 1.26 H new ATOM 0 HA PHE A 10 1.703 -9.673 9.682 1.00 1.42 H new ATOM 0 HB2 PHE A 10 3.952 -10.414 9.801 1.00 1.75 H new ATOM 0 HB3 PHE A 10 4.440 -9.074 10.819 1.00 1.75 H new ATOM 0 HD1 PHE A 10 1.528 -11.462 11.195 1.00 1.85 H new ATOM 0 HD2 PHE A 10 5.248 -10.038 12.820 1.00 3.08 H new ATOM 0 HE1 PHE A 10 1.108 -12.750 13.271 1.00 2.00 H new ATOM 0 HE2 PHE A 10 4.838 -11.346 14.888 1.00 3.25 H new ATOM 0 HZ PHE A 10 2.751 -12.676 15.133 1.00 2.29 H new ATOM 161 N SER A 11 0.467 -8.844 11.686 1.00 1.31 N ATOM 162 CA SER A 11 -0.232 -8.586 12.937 1.00 1.46 C ATOM 163 C SER A 11 -1.298 -9.665 13.186 1.00 1.50 C ATOM 164 O SER A 11 -1.876 -10.156 12.214 1.00 1.57 O ATOM 165 CB SER A 11 -0.897 -7.214 12.839 1.00 1.60 C ATOM 166 OG SER A 11 0.060 -6.190 13.035 1.00 2.48 O ATOM 0 H SER A 11 -0.060 -9.448 11.055 1.00 1.31 H new ATOM 0 HA SER A 11 0.475 -8.607 13.766 1.00 1.46 H new ATOM 0 HB2 SER A 11 -1.368 -7.099 11.863 1.00 1.60 H new ATOM 0 HB3 SER A 11 -1.687 -7.131 13.585 1.00 1.60 H new ATOM 0 HG SER A 11 0.958 -6.544 12.862 1.00 2.48 H new ATOM 172 N PRO A 12 -1.590 -10.029 14.451 1.00 1.63 N ATOM 173 CA PRO A 12 -2.718 -10.882 14.818 1.00 1.79 C ATOM 174 C PRO A 12 -3.987 -10.021 14.979 1.00 1.82 C ATOM 175 O PRO A 12 -4.526 -9.881 16.074 1.00 2.50 O ATOM 176 CB PRO A 12 -2.265 -11.567 16.112 1.00 2.05 C ATOM 177 CG PRO A 12 -1.449 -10.472 16.802 1.00 2.06 C ATOM 178 CD PRO A 12 -0.787 -9.736 15.635 1.00 1.80 C ATOM 0 HA PRO A 12 -2.981 -11.629 14.069 1.00 1.79 H new ATOM 0 HB2 PRO A 12 -3.112 -11.885 16.720 1.00 2.05 H new ATOM 0 HB3 PRO A 12 -1.665 -12.455 15.912 1.00 2.05 H new ATOM 0 HG2 PRO A 12 -2.083 -9.807 17.389 1.00 2.06 H new ATOM 0 HG3 PRO A 12 -0.710 -10.891 17.484 1.00 2.06 H new ATOM 0 HD2 PRO A 12 -0.751 -8.663 15.823 1.00 1.80 H new ATOM 0 HD3 PRO A 12 0.241 -10.070 15.499 1.00 1.80 H new ATOM 186 N GLY A 13 -4.426 -9.389 13.883 1.00 1.55 N ATOM 187 CA GLY A 13 -5.553 -8.448 13.867 1.00 1.61 C ATOM 188 C GLY A 13 -6.707 -8.874 12.946 1.00 1.26 C ATOM 189 O GLY A 13 -6.526 -9.765 12.117 1.00 1.40 O ATOM 0 H GLY A 13 -4.000 -9.520 12.966 1.00 1.55 H new ATOM 0 HA2 GLY A 13 -5.934 -8.335 14.882 1.00 1.61 H new ATOM 0 HA3 GLY A 13 -5.192 -7.469 13.552 1.00 1.61 H new ATOM 193 N PRO A 14 -7.875 -8.205 13.043 1.00 1.20 N ATOM 194 CA PRO A 14 -8.945 -8.285 12.047 1.00 1.24 C ATOM 195 C PRO A 14 -8.644 -7.423 10.806 1.00 0.98 C ATOM 196 O PRO A 14 -9.288 -7.592 9.770 1.00 1.17 O ATOM 197 CB PRO A 14 -10.183 -7.766 12.784 1.00 1.50 C ATOM 198 CG PRO A 14 -9.606 -6.692 13.709 1.00 1.48 C ATOM 199 CD PRO A 14 -8.238 -7.259 14.094 1.00 1.43 C ATOM 0 HA PRO A 14 -9.070 -9.299 11.668 1.00 1.24 H new ATOM 0 HB2 PRO A 14 -10.919 -7.352 12.095 1.00 1.50 H new ATOM 0 HB3 PRO A 14 -10.680 -8.557 13.345 1.00 1.50 H new ATOM 0 HG2 PRO A 14 -9.515 -5.731 13.203 1.00 1.48 H new ATOM 0 HG3 PRO A 14 -10.237 -6.533 14.584 1.00 1.48 H new ATOM 0 HD2 PRO A 14 -7.497 -6.464 14.174 1.00 1.43 H new ATOM 0 HD3 PRO A 14 -8.281 -7.754 15.064 1.00 1.43 H new ATOM 207 N ASN A 15 -7.675 -6.504 10.912 1.00 0.77 N ATOM 208 CA ASN A 15 -7.210 -5.610 9.855 1.00 0.64 C ATOM 209 C ASN A 15 -5.695 -5.355 9.954 1.00 0.65 C ATOM 210 O ASN A 15 -5.077 -5.540 11.004 1.00 0.82 O ATOM 211 CB ASN A 15 -8.030 -4.310 9.851 1.00 0.86 C ATOM 212 CG ASN A 15 -7.726 -3.328 10.984 1.00 1.27 C ATOM 213 OD1 ASN A 15 -7.559 -3.695 12.139 1.00 1.95 O ATOM 214 ND2 ASN A 15 -7.686 -2.041 10.677 1.00 1.86 N ATOM 0 H ASN A 15 -7.170 -6.360 11.787 1.00 0.77 H new ATOM 0 HA ASN A 15 -7.372 -6.098 8.894 1.00 0.64 H new ATOM 0 HB2 ASN A 15 -7.865 -3.802 8.901 1.00 0.86 H new ATOM 0 HB3 ASN A 15 -9.088 -4.570 9.895 1.00 0.86 H new ATOM 0 HD21 ASN A 15 -7.515 -1.348 11.406 1.00 1.86 H new ATOM 0 HD22 ASN A 15 -7.826 -1.742 9.712 1.00 1.86 H new ATOM 221 N ALA A 16 -5.086 -4.933 8.843 1.00 0.67 N ATOM 222 CA ALA A 16 -3.649 -4.673 8.723 1.00 0.84 C ATOM 223 C ALA A 16 -3.362 -3.671 7.595 1.00 0.71 C ATOM 224 O ALA A 16 -4.287 -3.171 6.957 1.00 0.65 O ATOM 225 CB ALA A 16 -2.913 -6.010 8.522 1.00 1.19 C ATOM 0 H ALA A 16 -5.594 -4.758 7.976 1.00 0.67 H new ATOM 0 HA ALA A 16 -3.280 -4.213 9.639 1.00 0.84 H new ATOM 0 HB1 ALA A 16 -1.842 -5.826 8.432 1.00 1.19 H new ATOM 0 HB2 ALA A 16 -3.099 -6.660 9.377 1.00 1.19 H new ATOM 0 HB3 ALA A 16 -3.276 -6.492 7.614 1.00 1.19 H new ATOM 231 N ALA A 17 -2.078 -3.400 7.352 1.00 0.96 N ATOM 232 CA ALA A 17 -1.599 -2.583 6.243 1.00 0.91 C ATOM 233 C ALA A 17 -0.863 -3.445 5.204 1.00 0.98 C ATOM 234 O ALA A 17 -0.210 -4.426 5.566 1.00 1.17 O ATOM 235 CB ALA A 17 -0.679 -1.487 6.803 1.00 1.07 C ATOM 0 H ALA A 17 -1.324 -3.755 7.940 1.00 0.96 H new ATOM 0 HA ALA A 17 -2.446 -2.122 5.735 1.00 0.91 H new ATOM 0 HB1 ALA A 17 -0.312 -0.867 5.985 1.00 1.07 H new ATOM 0 HB2 ALA A 17 -1.237 -0.868 7.506 1.00 1.07 H new ATOM 0 HB3 ALA A 17 0.165 -1.948 7.316 1.00 1.07 H new ATOM 241 N ALA A 18 -0.911 -3.058 3.931 1.00 1.01 N ATOM 242 CA ALA A 18 0.041 -3.520 2.923 1.00 1.11 C ATOM 243 C ALA A 18 0.826 -2.327 2.380 1.00 1.02 C ATOM 244 O ALA A 18 0.234 -1.318 1.985 1.00 1.17 O ATOM 245 CB ALA A 18 -0.681 -4.281 1.808 1.00 1.24 C ATOM 0 H ALA A 18 -1.613 -2.413 3.568 1.00 1.01 H new ATOM 0 HA ALA A 18 0.746 -4.215 3.379 1.00 1.11 H new ATOM 0 HB1 ALA A 18 0.045 -4.617 1.067 1.00 1.24 H new ATOM 0 HB2 ALA A 18 -1.194 -5.145 2.230 1.00 1.24 H new ATOM 0 HB3 ALA A 18 -1.408 -3.624 1.331 1.00 1.24 H new ATOM 251 N TYR A 19 2.151 -2.470 2.388 1.00 0.85 N ATOM 252 CA TYR A 19 3.133 -1.502 1.905 1.00 0.86 C ATOM 253 C TYR A 19 3.821 -2.039 0.634 1.00 1.02 C ATOM 254 O TYR A 19 3.819 -3.249 0.386 1.00 1.33 O ATOM 255 CB TYR A 19 4.193 -1.288 3.005 1.00 0.86 C ATOM 256 CG TYR A 19 3.704 -1.216 4.444 1.00 0.79 C ATOM 257 CD1 TYR A 19 2.939 -0.128 4.904 1.00 1.99 C ATOM 258 CD2 TYR A 19 4.094 -2.219 5.347 1.00 1.96 C ATOM 259 CE1 TYR A 19 2.614 -0.025 6.273 1.00 1.94 C ATOM 260 CE2 TYR A 19 3.839 -2.092 6.722 1.00 2.03 C ATOM 261 CZ TYR A 19 3.113 -0.977 7.197 1.00 0.79 C ATOM 262 OH TYR A 19 2.935 -0.794 8.536 1.00 0.97 O ATOM 0 H TYR A 19 2.592 -3.314 2.753 1.00 0.85 H new ATOM 0 HA TYR A 19 2.636 -0.561 1.668 1.00 0.86 H new ATOM 0 HB2 TYR A 19 4.918 -2.099 2.936 1.00 0.86 H new ATOM 0 HB3 TYR A 19 4.726 -0.363 2.784 1.00 0.86 H new ATOM 0 HD1 TYR A 19 2.601 0.627 4.210 1.00 1.99 H new ATOM 0 HD2 TYR A 19 4.597 -3.101 4.978 1.00 1.96 H new ATOM 0 HE1 TYR A 19 1.983 0.781 6.618 1.00 1.94 H new ATOM 0 HE2 TYR A 19 4.196 -2.842 7.412 1.00 2.03 H new ATOM 0 HH TYR A 19 3.656 -1.242 9.026 1.00 0.97 H new ATOM 272 N LEU A 20 4.484 -1.176 -0.144 1.00 0.85 N ATOM 273 CA LEU A 20 5.403 -1.630 -1.195 1.00 0.81 C ATOM 274 C LEU A 20 6.394 -0.574 -1.679 1.00 0.72 C ATOM 275 O LEU A 20 6.010 0.569 -1.904 1.00 0.76 O ATOM 276 CB LEU A 20 4.720 -2.351 -2.383 1.00 0.96 C ATOM 277 CG LEU A 20 3.737 -1.550 -3.257 1.00 1.11 C ATOM 278 CD1 LEU A 20 3.517 -2.308 -4.576 1.00 1.30 C ATOM 279 CD2 LEU A 20 2.362 -1.367 -2.601 1.00 1.44 C ATOM 0 H LEU A 20 4.402 -0.162 -0.067 1.00 0.85 H new ATOM 0 HA LEU A 20 5.993 -2.385 -0.675 1.00 0.81 H new ATOM 0 HB2 LEU A 20 5.505 -2.736 -3.034 1.00 0.96 H new ATOM 0 HB3 LEU A 20 4.184 -3.213 -1.985 1.00 0.96 H new ATOM 0 HG LEU A 20 4.179 -0.565 -3.408 1.00 1.11 H new ATOM 0 HD11 LEU A 20 2.822 -1.751 -5.204 1.00 1.30 H new ATOM 0 HD12 LEU A 20 4.469 -2.417 -5.096 1.00 1.30 H new ATOM 0 HD13 LEU A 20 3.104 -3.294 -4.364 1.00 1.30 H new ATOM 0 HD21 LEU A 20 1.715 -0.795 -3.266 1.00 1.44 H new ATOM 0 HD22 LEU A 20 1.916 -2.344 -2.412 1.00 1.44 H new ATOM 0 HD23 LEU A 20 2.477 -0.832 -1.658 1.00 1.44 H new ATOM 291 N THR A 21 7.639 -0.990 -1.939 1.00 0.87 N ATOM 292 CA THR A 21 8.501 -0.330 -2.920 1.00 0.93 C ATOM 293 C THR A 21 8.070 -0.806 -4.306 1.00 1.07 C ATOM 294 O THR A 21 7.775 -1.989 -4.480 1.00 1.23 O ATOM 295 CB THR A 21 9.980 -0.630 -2.672 1.00 1.13 C ATOM 296 OG1 THR A 21 10.354 -0.206 -1.384 1.00 1.20 O ATOM 297 CG2 THR A 21 10.828 0.213 -3.612 1.00 1.30 C ATOM 0 H THR A 21 8.073 -1.789 -1.477 1.00 0.87 H new ATOM 0 HA THR A 21 8.393 0.751 -2.836 1.00 0.93 H new ATOM 0 HB THR A 21 10.126 -1.701 -2.810 1.00 1.13 H new ATOM 0 HG1 THR A 21 9.894 -0.753 -0.713 1.00 1.20 H new ATOM 0 HG21 THR A 21 11.883 0.002 -3.438 1.00 1.30 H new ATOM 0 HG22 THR A 21 10.575 -0.028 -4.645 1.00 1.30 H new ATOM 0 HG23 THR A 21 10.634 1.270 -3.428 1.00 1.30 H new ATOM 305 N LEU A 22 7.994 0.109 -5.274 1.00 1.32 N ATOM 306 CA LEU A 22 7.431 -0.132 -6.604 1.00 1.45 C ATOM 307 C LEU A 22 8.027 0.854 -7.611 1.00 1.12 C ATOM 308 O LEU A 22 8.104 2.053 -7.333 1.00 0.91 O ATOM 309 CB LEU A 22 5.898 0.022 -6.474 1.00 1.70 C ATOM 310 CG LEU A 22 4.985 -0.339 -7.665 1.00 1.91 C ATOM 311 CD1 LEU A 22 4.860 0.807 -8.678 1.00 2.10 C ATOM 312 CD2 LEU A 22 5.379 -1.656 -8.350 1.00 2.93 C ATOM 0 H LEU A 22 8.331 1.064 -5.151 1.00 1.32 H new ATOM 0 HA LEU A 22 7.670 -1.130 -6.971 1.00 1.45 H new ATOM 0 HB2 LEU A 22 5.581 -0.586 -5.626 1.00 1.70 H new ATOM 0 HB3 LEU A 22 5.697 1.061 -6.214 1.00 1.70 H new ATOM 0 HG LEU A 22 3.997 -0.498 -7.234 1.00 1.91 H new ATOM 0 HD11 LEU A 22 4.207 0.501 -9.495 1.00 2.10 H new ATOM 0 HD12 LEU A 22 4.438 1.683 -8.186 1.00 2.10 H new ATOM 0 HD13 LEU A 22 5.846 1.052 -9.073 1.00 2.10 H new ATOM 0 HD21 LEU A 22 4.699 -1.853 -9.179 1.00 2.93 H new ATOM 0 HD22 LEU A 22 6.398 -1.579 -8.728 1.00 2.93 H new ATOM 0 HD23 LEU A 22 5.320 -2.472 -7.630 1.00 2.93 H new ATOM 324 N GLU A 23 8.408 0.371 -8.788 1.00 1.21 N ATOM 325 CA GLU A 23 8.755 1.196 -9.944 1.00 0.94 C ATOM 326 C GLU A 23 7.744 1.090 -11.083 1.00 0.83 C ATOM 327 O GLU A 23 7.262 0.014 -11.429 1.00 1.06 O ATOM 328 CB GLU A 23 10.163 0.898 -10.489 1.00 1.35 C ATOM 329 CG GLU A 23 10.535 -0.588 -10.570 1.00 1.54 C ATOM 330 CD GLU A 23 11.154 -1.036 -9.253 1.00 1.90 C ATOM 331 OE1 GLU A 23 12.337 -0.719 -9.016 1.00 2.31 O ATOM 332 OE2 GLU A 23 10.448 -1.610 -8.397 1.00 3.23 O ATOM 0 H GLU A 23 8.487 -0.629 -8.971 1.00 1.21 H new ATOM 0 HA GLU A 23 8.736 2.217 -9.562 1.00 0.94 H new ATOM 0 HB2 GLU A 23 10.248 1.331 -11.486 1.00 1.35 H new ATOM 0 HB3 GLU A 23 10.893 1.404 -9.858 1.00 1.35 H new ATOM 0 HG2 GLU A 23 9.648 -1.183 -10.787 1.00 1.54 H new ATOM 0 HG3 GLU A 23 11.237 -0.753 -11.387 1.00 1.54 H new ATOM 339 N ASN A 24 7.520 2.229 -11.732 1.00 0.76 N ATOM 340 CA ASN A 24 7.090 2.276 -13.117 1.00 0.76 C ATOM 341 C ASN A 24 8.319 2.122 -14.039 1.00 0.82 C ATOM 342 O ASN A 24 9.167 3.018 -14.057 1.00 0.86 O ATOM 343 CB ASN A 24 6.392 3.621 -13.349 1.00 0.71 C ATOM 344 CG ASN A 24 5.751 3.715 -14.723 1.00 0.75 C ATOM 345 OD1 ASN A 24 5.851 2.817 -15.549 1.00 0.80 O ATOM 346 ND2 ASN A 24 5.058 4.801 -14.990 1.00 0.80 N ATOM 0 H ASN A 24 7.634 3.148 -11.305 1.00 0.76 H new ATOM 0 HA ASN A 24 6.397 1.465 -13.341 1.00 0.76 H new ATOM 0 HB2 ASN A 24 5.629 3.767 -12.585 1.00 0.71 H new ATOM 0 HB3 ASN A 24 7.116 4.427 -13.234 1.00 0.71 H new ATOM 0 HD21 ASN A 24 4.596 4.902 -15.894 1.00 0.80 H new ATOM 0 HD22 ASN A 24 4.982 5.542 -14.293 1.00 0.80 H new ATOM 353 N PRO A 25 8.440 1.032 -14.819 1.00 0.89 N ATOM 354 CA PRO A 25 9.510 0.867 -15.804 1.00 0.95 C ATOM 355 C PRO A 25 9.212 1.551 -17.150 1.00 0.88 C ATOM 356 O PRO A 25 10.096 1.616 -18.007 1.00 0.94 O ATOM 357 CB PRO A 25 9.617 -0.650 -15.984 1.00 1.12 C ATOM 358 CG PRO A 25 8.166 -1.106 -15.817 1.00 1.13 C ATOM 359 CD PRO A 25 7.647 -0.186 -14.721 1.00 1.01 C ATOM 0 HA PRO A 25 10.432 1.335 -15.460 1.00 0.95 H new ATOM 0 HB2 PRO A 25 10.016 -0.915 -16.963 1.00 1.12 H new ATOM 0 HB3 PRO A 25 10.273 -1.102 -15.240 1.00 1.12 H new ATOM 0 HG2 PRO A 25 7.598 -0.995 -16.741 1.00 1.13 H new ATOM 0 HG3 PRO A 25 8.102 -2.155 -15.528 1.00 1.13 H new ATOM 0 HD2 PRO A 25 6.586 0.026 -14.857 1.00 1.01 H new ATOM 0 HD3 PRO A 25 7.757 -0.646 -13.739 1.00 1.01 H new ATOM 367 N GLY A 26 7.983 2.036 -17.365 1.00 0.81 N ATOM 368 CA GLY A 26 7.512 2.577 -18.638 1.00 0.83 C ATOM 369 C GLY A 26 7.880 4.041 -18.854 1.00 0.77 C ATOM 370 O GLY A 26 8.377 4.720 -17.959 1.00 0.78 O ATOM 0 H GLY A 26 7.271 2.062 -16.635 1.00 0.81 H new ATOM 0 HA2 GLY A 26 7.928 1.983 -19.452 1.00 0.83 H new ATOM 0 HA3 GLY A 26 6.428 2.472 -18.689 1.00 0.83 H new ATOM 374 N ASP A 27 7.642 4.505 -20.078 1.00 0.79 N ATOM 375 CA ASP A 27 7.925 5.864 -20.564 1.00 0.82 C ATOM 376 C ASP A 27 6.712 6.809 -20.439 1.00 0.81 C ATOM 377 O ASP A 27 6.831 8.016 -20.633 1.00 0.90 O ATOM 378 CB ASP A 27 8.409 5.748 -22.022 1.00 0.97 C ATOM 379 CG ASP A 27 9.649 4.853 -22.112 1.00 1.58 C ATOM 380 OD1 ASP A 27 9.497 3.610 -22.067 1.00 2.73 O ATOM 381 OD2 ASP A 27 10.777 5.381 -22.030 1.00 2.19 O ATOM 0 H ASP A 27 7.225 3.917 -20.800 1.00 0.79 H new ATOM 0 HA ASP A 27 8.698 6.314 -19.942 1.00 0.82 H new ATOM 0 HB2 ASP A 27 7.613 5.338 -22.643 1.00 0.97 H new ATOM 0 HB3 ASP A 27 8.640 6.739 -22.413 1.00 0.97 H new ATOM 386 N LEU A 28 5.552 6.259 -20.061 1.00 0.78 N ATOM 387 CA LEU A 28 4.324 6.980 -19.713 1.00 0.81 C ATOM 388 C LEU A 28 3.977 6.767 -18.220 1.00 0.72 C ATOM 389 O LEU A 28 4.483 5.818 -17.613 1.00 0.69 O ATOM 390 CB LEU A 28 3.225 6.580 -20.724 1.00 0.95 C ATOM 391 CG LEU A 28 2.729 5.115 -20.702 1.00 1.05 C ATOM 392 CD1 LEU A 28 1.777 4.824 -19.531 1.00 1.61 C ATOM 393 CD2 LEU A 28 1.983 4.829 -22.014 1.00 1.21 C ATOM 0 H LEU A 28 5.440 5.248 -19.986 1.00 0.78 H new ATOM 0 HA LEU A 28 4.442 8.060 -19.802 1.00 0.81 H new ATOM 0 HB2 LEU A 28 2.365 7.228 -20.558 1.00 0.95 H new ATOM 0 HB3 LEU A 28 3.597 6.794 -21.726 1.00 0.95 H new ATOM 0 HG LEU A 28 3.605 4.477 -20.583 1.00 1.05 H new ATOM 0 HD11 LEU A 28 1.463 3.781 -19.568 1.00 1.61 H new ATOM 0 HD12 LEU A 28 2.290 5.015 -18.589 1.00 1.61 H new ATOM 0 HD13 LEU A 28 0.902 5.470 -19.604 1.00 1.61 H new ATOM 0 HD21 LEU A 28 1.627 3.799 -22.013 1.00 1.21 H new ATOM 0 HD22 LEU A 28 1.134 5.506 -22.105 1.00 1.21 H new ATOM 0 HD23 LEU A 28 2.658 4.979 -22.857 1.00 1.21 H new ATOM 405 N PRO A 29 3.155 7.633 -17.591 1.00 0.73 N ATOM 406 CA PRO A 29 2.947 7.618 -16.144 1.00 0.69 C ATOM 407 C PRO A 29 1.976 6.503 -15.718 1.00 0.65 C ATOM 408 O PRO A 29 1.153 6.032 -16.500 1.00 0.74 O ATOM 409 CB PRO A 29 2.405 9.008 -15.803 1.00 0.77 C ATOM 410 CG PRO A 29 1.635 9.400 -17.063 1.00 0.87 C ATOM 411 CD PRO A 29 2.423 8.736 -18.193 1.00 0.86 C ATOM 0 HA PRO A 29 3.871 7.405 -15.607 1.00 0.69 H new ATOM 0 HB2 PRO A 29 1.758 8.984 -14.926 1.00 0.77 H new ATOM 0 HB3 PRO A 29 3.209 9.712 -15.587 1.00 0.77 H new ATOM 0 HG2 PRO A 29 0.606 9.043 -17.030 1.00 0.87 H new ATOM 0 HG3 PRO A 29 1.594 10.482 -17.186 1.00 0.87 H new ATOM 0 HD2 PRO A 29 1.753 8.377 -18.974 1.00 0.86 H new ATOM 0 HD3 PRO A 29 3.106 9.446 -18.660 1.00 0.86 H new ATOM 419 N LEU A 30 2.050 6.111 -14.443 1.00 0.58 N ATOM 420 CA LEU A 30 1.177 5.124 -13.805 1.00 0.55 C ATOM 421 C LEU A 30 0.251 5.824 -12.810 1.00 0.55 C ATOM 422 O LEU A 30 0.694 6.681 -12.051 1.00 0.71 O ATOM 423 CB LEU A 30 2.037 4.068 -13.092 1.00 0.59 C ATOM 424 CG LEU A 30 1.889 2.644 -13.648 1.00 1.01 C ATOM 425 CD1 LEU A 30 2.122 2.479 -15.155 1.00 2.01 C ATOM 426 CD2 LEU A 30 2.868 1.739 -12.902 1.00 2.08 C ATOM 0 H LEU A 30 2.748 6.488 -13.802 1.00 0.58 H new ATOM 0 HA LEU A 30 0.566 4.629 -14.560 1.00 0.55 H new ATOM 0 HB2 LEU A 30 3.084 4.364 -13.160 1.00 0.59 H new ATOM 0 HB3 LEU A 30 1.776 4.060 -12.034 1.00 0.59 H new ATOM 0 HG LEU A 30 0.844 2.377 -13.493 1.00 1.01 H new ATOM 0 HD11 LEU A 30 1.990 1.433 -15.431 1.00 2.01 H new ATOM 0 HD12 LEU A 30 1.406 3.092 -15.703 1.00 2.01 H new ATOM 0 HD13 LEU A 30 3.135 2.795 -15.403 1.00 2.01 H new ATOM 0 HD21 LEU A 30 2.782 0.720 -13.280 1.00 2.08 H new ATOM 0 HD22 LEU A 30 3.885 2.098 -13.056 1.00 2.08 H new ATOM 0 HD23 LEU A 30 2.636 1.752 -11.837 1.00 2.08 H new ATOM 438 N ARG A 31 -1.014 5.406 -12.750 1.00 0.51 N ATOM 439 CA ARG A 31 -1.987 5.849 -11.734 1.00 0.47 C ATOM 440 C ARG A 31 -2.592 4.636 -11.027 1.00 0.44 C ATOM 441 O ARG A 31 -3.300 3.851 -11.659 1.00 0.45 O ATOM 442 CB ARG A 31 -3.064 6.747 -12.367 1.00 0.51 C ATOM 443 CG ARG A 31 -3.995 7.349 -11.299 1.00 0.55 C ATOM 444 CD ARG A 31 -4.866 8.501 -11.831 1.00 0.75 C ATOM 445 NE ARG A 31 -4.551 9.783 -11.170 1.00 1.67 N ATOM 446 CZ ARG A 31 -3.468 10.532 -11.355 1.00 2.41 C ATOM 447 NH1 ARG A 31 -2.549 10.241 -12.247 1.00 2.83 N ATOM 448 NH2 ARG A 31 -3.282 11.590 -10.606 1.00 3.84 N ATOM 0 H ARG A 31 -1.404 4.738 -13.415 1.00 0.51 H new ATOM 0 HA ARG A 31 -1.474 6.450 -10.983 1.00 0.47 H new ATOM 0 HB2 ARG A 31 -2.586 7.550 -12.929 1.00 0.51 H new ATOM 0 HB3 ARG A 31 -3.652 6.166 -13.078 1.00 0.51 H new ATOM 0 HG2 ARG A 31 -4.642 6.564 -10.907 1.00 0.55 H new ATOM 0 HG3 ARG A 31 -3.394 7.712 -10.466 1.00 0.55 H new ATOM 0 HD2 ARG A 31 -4.717 8.601 -12.906 1.00 0.75 H new ATOM 0 HD3 ARG A 31 -5.918 8.262 -11.676 1.00 0.75 H new ATOM 0 HE ARG A 31 -5.237 10.131 -10.500 1.00 1.67 H new ATOM 0 HH11 ARG A 31 -2.651 9.412 -12.832 1.00 2.83 H new ATOM 0 HH12 ARG A 31 -1.734 10.844 -12.355 1.00 2.83 H new ATOM 0 HH21 ARG A 31 -3.965 11.833 -9.888 1.00 3.84 H new ATOM 0 HH22 ARG A 31 -2.454 12.171 -10.740 1.00 3.84 H new ATOM 462 N LEU A 32 -2.277 4.469 -9.744 1.00 0.44 N ATOM 463 CA LEU A 32 -2.617 3.325 -8.891 1.00 0.41 C ATOM 464 C LEU A 32 -3.902 3.645 -8.113 1.00 0.40 C ATOM 465 O LEU A 32 -3.913 4.561 -7.303 1.00 0.47 O ATOM 466 CB LEU A 32 -1.399 3.090 -7.973 1.00 0.44 C ATOM 467 CG LEU A 32 -1.553 2.010 -6.882 1.00 0.42 C ATOM 468 CD1 LEU A 32 -1.604 0.603 -7.487 1.00 0.60 C ATOM 469 CD2 LEU A 32 -0.358 2.102 -5.922 1.00 0.59 C ATOM 0 H LEU A 32 -1.742 5.174 -9.237 1.00 0.44 H new ATOM 0 HA LEU A 32 -2.818 2.415 -9.457 1.00 0.41 H new ATOM 0 HB2 LEU A 32 -0.548 2.823 -8.599 1.00 0.44 H new ATOM 0 HB3 LEU A 32 -1.153 4.033 -7.486 1.00 0.44 H new ATOM 0 HG LEU A 32 -2.490 2.186 -6.353 1.00 0.42 H new ATOM 0 HD11 LEU A 32 -1.713 -0.132 -6.690 1.00 0.60 H new ATOM 0 HD12 LEU A 32 -2.453 0.530 -8.167 1.00 0.60 H new ATOM 0 HD13 LEU A 32 -0.682 0.409 -8.036 1.00 0.60 H new ATOM 0 HD21 LEU A 32 -0.456 1.343 -5.146 1.00 0.59 H new ATOM 0 HD22 LEU A 32 0.567 1.938 -6.475 1.00 0.59 H new ATOM 0 HD23 LEU A 32 -0.336 3.090 -5.462 1.00 0.59 H new ATOM 481 N VAL A 33 -4.984 2.912 -8.371 1.00 0.38 N ATOM 482 CA VAL A 33 -6.343 3.199 -7.854 1.00 0.38 C ATOM 483 C VAL A 33 -6.789 2.220 -6.749 1.00 0.40 C ATOM 484 O VAL A 33 -7.806 2.435 -6.092 1.00 0.44 O ATOM 485 CB VAL A 33 -7.387 3.248 -9.000 1.00 0.42 C ATOM 486 CG1 VAL A 33 -7.027 4.340 -10.027 1.00 0.46 C ATOM 487 CG2 VAL A 33 -7.552 1.915 -9.753 1.00 0.47 C ATOM 0 H VAL A 33 -4.951 2.079 -8.959 1.00 0.38 H new ATOM 0 HA VAL A 33 -6.287 4.186 -7.394 1.00 0.38 H new ATOM 0 HB VAL A 33 -8.333 3.472 -8.507 1.00 0.42 H new ATOM 0 HG11 VAL A 33 -7.774 4.354 -10.820 1.00 0.46 H new ATOM 0 HG12 VAL A 33 -7.004 5.311 -9.533 1.00 0.46 H new ATOM 0 HG13 VAL A 33 -6.047 4.128 -10.455 1.00 0.46 H new ATOM 0 HG21 VAL A 33 -8.299 2.031 -10.538 1.00 0.47 H new ATOM 0 HG22 VAL A 33 -6.599 1.628 -10.198 1.00 0.47 H new ATOM 0 HG23 VAL A 33 -7.875 1.141 -9.057 1.00 0.47 H new ATOM 497 N GLY A 34 -6.029 1.138 -6.535 1.00 0.40 N ATOM 498 CA GLY A 34 -6.266 0.141 -5.496 1.00 0.44 C ATOM 499 C GLY A 34 -5.293 -1.025 -5.627 1.00 0.44 C ATOM 500 O GLY A 34 -4.355 -0.971 -6.420 1.00 0.46 O ATOM 0 H GLY A 34 -5.207 0.931 -7.102 1.00 0.40 H new ATOM 0 HA2 GLY A 34 -6.158 0.601 -4.514 1.00 0.44 H new ATOM 0 HA3 GLY A 34 -7.290 -0.226 -5.565 1.00 0.44 H new ATOM 504 N ALA A 35 -5.558 -2.115 -4.910 1.00 0.50 N ATOM 505 CA ALA A 35 -4.938 -3.417 -5.142 1.00 0.52 C ATOM 506 C ALA A 35 -5.866 -4.561 -4.695 1.00 0.53 C ATOM 507 O ALA A 35 -6.959 -4.297 -4.183 1.00 0.67 O ATOM 508 CB ALA A 35 -3.565 -3.465 -4.474 1.00 0.77 C ATOM 0 H ALA A 35 -6.223 -2.118 -4.136 1.00 0.50 H new ATOM 0 HA ALA A 35 -4.783 -3.558 -6.212 1.00 0.52 H new ATOM 0 HB1 ALA A 35 -3.108 -4.439 -4.651 1.00 0.77 H new ATOM 0 HB2 ALA A 35 -2.929 -2.685 -4.892 1.00 0.77 H new ATOM 0 HB3 ALA A 35 -3.676 -3.306 -3.401 1.00 0.77 H new ATOM 514 N ARG A 36 -5.464 -5.820 -4.903 1.00 0.54 N ATOM 515 CA ARG A 36 -6.305 -7.002 -4.649 1.00 0.59 C ATOM 516 C ARG A 36 -5.457 -8.172 -4.186 1.00 0.56 C ATOM 517 O ARG A 36 -4.544 -8.587 -4.880 1.00 0.81 O ATOM 518 CB ARG A 36 -7.093 -7.406 -5.914 1.00 0.79 C ATOM 519 CG ARG A 36 -8.223 -6.439 -6.293 1.00 1.84 C ATOM 520 CD ARG A 36 -9.347 -6.413 -5.250 1.00 2.89 C ATOM 521 NE ARG A 36 -10.061 -5.130 -5.257 1.00 4.80 N ATOM 522 CZ ARG A 36 -11.195 -4.850 -5.883 1.00 5.95 C ATOM 523 NH1 ARG A 36 -11.758 -5.694 -6.725 1.00 5.67 N ATOM 524 NH2 ARG A 36 -11.776 -3.691 -5.655 1.00 7.83 N ATOM 0 H ARG A 36 -4.536 -6.053 -5.256 1.00 0.54 H new ATOM 0 HA ARG A 36 -7.014 -6.739 -3.864 1.00 0.59 H new ATOM 0 HB2 ARG A 36 -6.399 -7.480 -6.751 1.00 0.79 H new ATOM 0 HB3 ARG A 36 -7.517 -8.399 -5.762 1.00 0.79 H new ATOM 0 HG2 ARG A 36 -7.815 -5.435 -6.408 1.00 1.84 H new ATOM 0 HG3 ARG A 36 -8.635 -6.728 -7.260 1.00 1.84 H new ATOM 0 HD2 ARG A 36 -10.049 -7.222 -5.451 1.00 2.89 H new ATOM 0 HD3 ARG A 36 -8.929 -6.592 -4.259 1.00 2.89 H new ATOM 0 HE ARG A 36 -9.638 -4.372 -4.722 1.00 4.80 H new ATOM 0 HH11 ARG A 36 -11.320 -6.596 -6.912 1.00 5.67 H new ATOM 0 HH12 ARG A 36 -12.631 -5.445 -7.189 1.00 5.67 H new ATOM 0 HH21 ARG A 36 -11.353 -3.027 -5.006 1.00 7.83 H new ATOM 0 HH22 ARG A 36 -12.649 -3.457 -6.127 1.00 7.83 H new ATOM 538 N THR A 37 -5.755 -8.693 -3.001 1.00 0.49 N ATOM 539 CA THR A 37 -4.973 -9.723 -2.319 1.00 0.52 C ATOM 540 C THR A 37 -5.916 -10.842 -1.871 1.00 0.58 C ATOM 541 O THR A 37 -7.044 -10.529 -1.492 1.00 0.63 O ATOM 542 CB THR A 37 -4.235 -9.095 -1.149 1.00 0.60 C ATOM 543 OG1 THR A 37 -3.479 -10.105 -0.547 1.00 0.69 O ATOM 544 CG2 THR A 37 -5.107 -8.401 -0.101 1.00 0.65 C ATOM 0 H THR A 37 -6.575 -8.401 -2.469 1.00 0.49 H new ATOM 0 HA THR A 37 -4.228 -10.156 -2.987 1.00 0.52 H new ATOM 0 HB THR A 37 -3.626 -8.288 -1.558 1.00 0.60 H new ATOM 0 HG1 THR A 37 -2.719 -10.331 -1.122 1.00 0.69 H new ATOM 0 HG21 THR A 37 -4.474 -7.991 0.685 1.00 0.65 H new ATOM 0 HG22 THR A 37 -5.669 -7.595 -0.572 1.00 0.65 H new ATOM 0 HG23 THR A 37 -5.800 -9.123 0.331 1.00 0.65 H new ATOM 552 N PRO A 38 -5.488 -12.118 -1.808 1.00 0.65 N ATOM 553 CA PRO A 38 -6.311 -13.197 -1.258 1.00 0.71 C ATOM 554 C PRO A 38 -6.432 -13.177 0.272 1.00 0.70 C ATOM 555 O PRO A 38 -7.085 -14.051 0.844 1.00 0.81 O ATOM 556 CB PRO A 38 -5.619 -14.454 -1.759 1.00 0.80 C ATOM 557 CG PRO A 38 -4.144 -14.089 -1.801 1.00 0.77 C ATOM 558 CD PRO A 38 -4.216 -12.647 -2.290 1.00 0.73 C ATOM 0 HA PRO A 38 -7.349 -13.112 -1.580 1.00 0.71 H new ATOM 0 HB2 PRO A 38 -5.800 -15.298 -1.093 1.00 0.80 H new ATOM 0 HB3 PRO A 38 -5.984 -14.742 -2.745 1.00 0.80 H new ATOM 0 HG2 PRO A 38 -3.671 -14.170 -0.822 1.00 0.77 H new ATOM 0 HG3 PRO A 38 -3.580 -14.728 -2.481 1.00 0.77 H new ATOM 0 HD2 PRO A 38 -3.380 -12.063 -1.905 1.00 0.73 H new ATOM 0 HD3 PRO A 38 -4.162 -12.601 -3.378 1.00 0.73 H new ATOM 566 N VAL A 39 -5.772 -12.213 0.922 1.00 0.81 N ATOM 567 CA VAL A 39 -5.714 -12.054 2.394 1.00 0.91 C ATOM 568 C VAL A 39 -6.690 -11.024 2.999 1.00 0.93 C ATOM 569 O VAL A 39 -6.699 -10.895 4.217 1.00 1.06 O ATOM 570 CB VAL A 39 -4.267 -11.802 2.916 1.00 0.98 C ATOM 571 CG1 VAL A 39 -3.225 -12.698 2.217 1.00 1.04 C ATOM 572 CG2 VAL A 39 -3.838 -10.333 2.798 1.00 1.02 C ATOM 0 H VAL A 39 -5.243 -11.494 0.429 1.00 0.81 H new ATOM 0 HA VAL A 39 -6.059 -13.024 2.752 1.00 0.91 H new ATOM 0 HB VAL A 39 -4.300 -12.064 3.974 1.00 0.98 H new ATOM 0 HG11 VAL A 39 -2.234 -12.483 2.617 1.00 1.04 H new ATOM 0 HG12 VAL A 39 -3.469 -13.746 2.394 1.00 1.04 H new ATOM 0 HG13 VAL A 39 -3.235 -12.500 1.145 1.00 1.04 H new ATOM 0 HG21 VAL A 39 -2.822 -10.219 3.177 1.00 1.02 H new ATOM 0 HG22 VAL A 39 -3.872 -10.027 1.752 1.00 1.02 H new ATOM 0 HG23 VAL A 39 -4.515 -9.708 3.381 1.00 1.02 H new ATOM 582 N ALA A 40 -7.527 -10.318 2.222 1.00 0.87 N ATOM 583 CA ALA A 40 -8.359 -9.207 2.730 1.00 0.89 C ATOM 584 C ALA A 40 -9.735 -9.073 2.056 1.00 0.98 C ATOM 585 O ALA A 40 -9.978 -9.690 1.021 1.00 1.13 O ATOM 586 CB ALA A 40 -7.572 -7.897 2.587 1.00 0.96 C ATOM 0 H ALA A 40 -7.648 -10.498 1.225 1.00 0.87 H new ATOM 0 HA ALA A 40 -8.575 -9.432 3.774 1.00 0.89 H new ATOM 0 HB1 ALA A 40 -8.175 -7.068 2.958 1.00 0.96 H new ATOM 0 HB2 ALA A 40 -6.649 -7.962 3.164 1.00 0.96 H new ATOM 0 HB3 ALA A 40 -7.332 -7.729 1.537 1.00 0.96 H new ATOM 592 N GLU A 41 -10.606 -8.244 2.649 1.00 1.10 N ATOM 593 CA GLU A 41 -11.879 -7.813 2.069 1.00 1.30 C ATOM 594 C GLU A 41 -11.776 -6.356 1.570 1.00 1.35 C ATOM 595 O GLU A 41 -11.364 -6.058 0.442 1.00 1.57 O ATOM 596 CB GLU A 41 -13.005 -8.000 3.121 1.00 1.41 C ATOM 597 CG GLU A 41 -14.417 -7.893 2.532 1.00 1.74 C ATOM 598 CD GLU A 41 -14.787 -9.221 1.897 1.00 2.12 C ATOM 599 OE1 GLU A 41 -14.280 -9.508 0.794 1.00 2.49 O ATOM 600 OE2 GLU A 41 -15.382 -10.074 2.587 1.00 3.12 O ATOM 0 H GLU A 41 -10.436 -7.845 3.572 1.00 1.10 H new ATOM 0 HA GLU A 41 -12.123 -8.425 1.201 1.00 1.30 H new ATOM 0 HB2 GLU A 41 -12.890 -8.975 3.595 1.00 1.41 H new ATOM 0 HB3 GLU A 41 -12.889 -7.250 3.903 1.00 1.41 H new ATOM 0 HG2 GLU A 41 -15.133 -7.636 3.313 1.00 1.74 H new ATOM 0 HG3 GLU A 41 -14.456 -7.096 1.789 1.00 1.74 H new ATOM 607 N ARG A 42 -12.158 -5.409 2.425 1.00 1.35 N ATOM 608 CA ARG A 42 -12.415 -4.029 2.052 1.00 1.54 C ATOM 609 C ARG A 42 -11.102 -3.248 2.047 1.00 1.71 C ATOM 610 O ARG A 42 -10.734 -2.596 3.019 1.00 2.53 O ATOM 611 CB ARG A 42 -13.481 -3.444 2.976 1.00 1.58 C ATOM 612 CG ARG A 42 -13.873 -2.032 2.523 1.00 1.84 C ATOM 613 CD ARG A 42 -14.235 -1.196 3.745 1.00 1.89 C ATOM 614 NE ARG A 42 -14.415 0.208 3.378 1.00 2.87 N ATOM 615 CZ ARG A 42 -15.400 0.780 2.707 1.00 3.31 C ATOM 616 NH1 ARG A 42 -16.482 0.122 2.338 1.00 3.52 N ATOM 617 NH2 ARG A 42 -15.247 2.046 2.398 1.00 4.77 N ATOM 0 H ARG A 42 -12.299 -5.590 3.419 1.00 1.35 H new ATOM 0 HA ARG A 42 -12.814 -3.963 1.040 1.00 1.54 H new ATOM 0 HB2 ARG A 42 -14.360 -4.088 2.979 1.00 1.58 H new ATOM 0 HB3 ARG A 42 -13.106 -3.412 3.999 1.00 1.58 H new ATOM 0 HG2 ARG A 42 -13.048 -1.569 1.982 1.00 1.84 H new ATOM 0 HG3 ARG A 42 -14.718 -2.079 1.836 1.00 1.84 H new ATOM 0 HD2 ARG A 42 -15.151 -1.579 4.195 1.00 1.89 H new ATOM 0 HD3 ARG A 42 -13.450 -1.283 4.496 1.00 1.89 H new ATOM 0 HE ARG A 42 -13.673 0.837 3.684 1.00 2.87 H new ATOM 0 HH11 ARG A 42 -16.582 -0.866 2.570 1.00 3.52 H new ATOM 0 HH12 ARG A 42 -17.219 0.602 1.821 1.00 3.52 H new ATOM 0 HH21 ARG A 42 -14.399 2.540 2.675 1.00 4.77 H new ATOM 0 HH22 ARG A 42 -15.977 2.536 1.881 1.00 4.77 H new ATOM 631 N VAL A 43 -10.419 -3.368 0.919 1.00 1.05 N ATOM 632 CA VAL A 43 -9.168 -2.685 0.550 1.00 1.01 C ATOM 633 C VAL A 43 -9.399 -1.209 0.189 1.00 1.05 C ATOM 634 O VAL A 43 -10.260 -0.901 -0.636 1.00 1.27 O ATOM 635 CB VAL A 43 -8.453 -3.437 -0.603 1.00 1.31 C ATOM 636 CG1 VAL A 43 -9.313 -3.580 -1.875 1.00 1.69 C ATOM 637 CG2 VAL A 43 -7.095 -2.807 -0.958 1.00 1.35 C ATOM 0 H VAL A 43 -10.740 -3.989 0.176 1.00 1.05 H new ATOM 0 HA VAL A 43 -8.519 -2.699 1.426 1.00 1.01 H new ATOM 0 HB VAL A 43 -8.283 -4.440 -0.212 1.00 1.31 H new ATOM 0 HG11 VAL A 43 -8.748 -4.116 -2.638 1.00 1.69 H new ATOM 0 HG12 VAL A 43 -10.221 -4.135 -1.640 1.00 1.69 H new ATOM 0 HG13 VAL A 43 -9.578 -2.591 -2.248 1.00 1.69 H new ATOM 0 HG21 VAL A 43 -6.634 -3.369 -1.770 1.00 1.35 H new ATOM 0 HG22 VAL A 43 -7.244 -1.774 -1.271 1.00 1.35 H new ATOM 0 HG23 VAL A 43 -6.443 -2.831 -0.085 1.00 1.35 H new ATOM 647 N GLU A 44 -8.593 -0.314 0.768 1.00 0.88 N ATOM 648 CA GLU A 44 -8.566 1.134 0.490 1.00 0.83 C ATOM 649 C GLU A 44 -7.123 1.651 0.481 1.00 0.72 C ATOM 650 O GLU A 44 -6.397 1.367 1.430 1.00 0.73 O ATOM 651 CB GLU A 44 -9.273 1.916 1.612 1.00 0.92 C ATOM 652 CG GLU A 44 -10.762 1.614 1.792 1.00 1.12 C ATOM 653 CD GLU A 44 -11.400 2.453 2.904 1.00 1.55 C ATOM 654 OE1 GLU A 44 -10.730 3.332 3.488 1.00 2.64 O ATOM 655 OE2 GLU A 44 -12.607 2.223 3.150 1.00 2.23 O ATOM 0 H GLU A 44 -7.910 -0.586 1.475 1.00 0.88 H new ATOM 0 HA GLU A 44 -9.056 1.278 -0.473 1.00 0.83 H new ATOM 0 HB2 GLU A 44 -8.762 1.708 2.552 1.00 0.92 H new ATOM 0 HB3 GLU A 44 -9.158 2.982 1.415 1.00 0.92 H new ATOM 0 HG2 GLU A 44 -11.284 1.803 0.854 1.00 1.12 H new ATOM 0 HG3 GLU A 44 -10.890 0.556 2.021 1.00 1.12 H new ATOM 662 N LEU A 45 -6.691 2.434 -0.524 1.00 0.66 N ATOM 663 CA LEU A 45 -5.408 3.131 -0.482 1.00 0.60 C ATOM 664 C LEU A 45 -5.513 4.433 0.317 1.00 0.58 C ATOM 665 O LEU A 45 -6.282 5.340 -0.016 1.00 0.61 O ATOM 666 CB LEU A 45 -4.896 3.348 -1.912 1.00 0.60 C ATOM 667 CG LEU A 45 -3.392 3.683 -1.929 1.00 0.60 C ATOM 668 CD1 LEU A 45 -2.815 3.351 -3.294 1.00 0.68 C ATOM 669 CD2 LEU A 45 -3.061 5.160 -1.731 1.00 0.67 C ATOM 0 H LEU A 45 -7.223 2.596 -1.379 1.00 0.66 H new ATOM 0 HA LEU A 45 -4.676 2.517 0.042 1.00 0.60 H new ATOM 0 HB2 LEU A 45 -5.077 2.451 -2.504 1.00 0.60 H new ATOM 0 HB3 LEU A 45 -5.455 4.158 -2.381 1.00 0.60 H new ATOM 0 HG LEU A 45 -2.979 3.104 -1.103 1.00 0.60 H new ATOM 0 HD11 LEU A 45 -1.751 3.588 -3.307 1.00 0.68 H new ATOM 0 HD12 LEU A 45 -2.953 2.289 -3.499 1.00 0.68 H new ATOM 0 HD13 LEU A 45 -3.326 3.937 -4.058 1.00 0.68 H new ATOM 0 HD21 LEU A 45 -1.980 5.297 -1.758 1.00 0.67 H new ATOM 0 HD22 LEU A 45 -3.521 5.746 -2.527 1.00 0.67 H new ATOM 0 HD23 LEU A 45 -3.445 5.493 -0.767 1.00 0.67 H new ATOM 681 N HIS A 46 -4.689 4.515 1.357 1.00 0.56 N ATOM 682 CA HIS A 46 -4.534 5.640 2.274 1.00 0.54 C ATOM 683 C HIS A 46 -3.175 6.366 2.123 1.00 0.51 C ATOM 684 O HIS A 46 -2.156 5.757 1.784 1.00 0.47 O ATOM 685 CB HIS A 46 -4.671 5.136 3.730 1.00 0.56 C ATOM 686 CG HIS A 46 -6.031 4.697 4.232 1.00 0.56 C ATOM 687 ND1 HIS A 46 -6.375 4.620 5.587 1.00 0.59 N ATOM 688 CD2 HIS A 46 -7.138 4.373 3.499 1.00 0.65 C ATOM 689 CE1 HIS A 46 -7.662 4.235 5.624 1.00 0.61 C ATOM 690 NE2 HIS A 46 -8.144 4.063 4.384 1.00 0.66 N ATOM 0 H HIS A 46 -4.068 3.743 1.598 1.00 0.56 H new ATOM 0 HA HIS A 46 -5.316 6.358 2.027 1.00 0.54 H new ATOM 0 HB2 HIS A 46 -3.988 4.295 3.852 1.00 0.56 H new ATOM 0 HB3 HIS A 46 -4.319 5.931 4.387 1.00 0.56 H new ATOM 0 HD2 HIS A 46 -7.210 4.362 2.421 1.00 0.65 H new ATOM 0 HE1 HIS A 46 -8.231 4.084 6.529 1.00 0.61 H new ATOM 0 HE2 HIS A 46 -9.086 3.757 4.141 1.00 0.66 H new ATOM 698 N GLU A 47 -3.176 7.658 2.462 1.00 0.56 N ATOM 699 CA GLU A 47 -2.005 8.432 2.894 1.00 0.52 C ATOM 700 C GLU A 47 -1.827 8.273 4.412 1.00 0.56 C ATOM 701 O GLU A 47 -2.815 8.374 5.134 1.00 0.59 O ATOM 702 CB GLU A 47 -2.156 9.939 2.560 1.00 0.79 C ATOM 703 CG GLU A 47 -3.504 10.587 2.975 1.00 0.70 C ATOM 704 CD GLU A 47 -3.456 12.061 3.402 1.00 1.41 C ATOM 705 OE1 GLU A 47 -2.369 12.685 3.384 1.00 2.35 O ATOM 706 OE2 GLU A 47 -4.511 12.581 3.832 1.00 2.10 O ATOM 0 H GLU A 47 -4.028 8.219 2.443 1.00 0.56 H new ATOM 0 HA GLU A 47 -1.135 8.051 2.360 1.00 0.52 H new ATOM 0 HB2 GLU A 47 -1.347 10.483 3.047 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -2.027 10.069 1.486 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -4.197 10.497 2.138 1.00 0.70 H new ATOM 0 HG3 GLU A 47 -3.921 10.007 3.798 1.00 0.70 H new ATOM 713 N THR A 48 -0.599 8.086 4.911 1.00 1.41 N ATOM 714 CA THR A 48 -0.244 8.304 6.331 1.00 1.70 C ATOM 715 C THR A 48 0.458 9.661 6.387 1.00 1.91 C ATOM 716 O THR A 48 1.226 9.970 5.474 1.00 1.79 O ATOM 717 CB THR A 48 0.780 7.301 6.871 1.00 1.87 C ATOM 718 OG1 THR A 48 0.603 6.011 6.350 1.00 1.99 O ATOM 719 CG2 THR A 48 0.712 7.204 8.402 1.00 2.36 C ATOM 0 H THR A 48 0.188 7.776 4.341 1.00 1.41 H new ATOM 0 HA THR A 48 -1.158 8.216 6.918 1.00 1.70 H new ATOM 0 HB THR A 48 1.751 7.681 6.555 1.00 1.87 H new ATOM 0 HG1 THR A 48 1.418 5.486 6.493 1.00 1.99 H new ATOM 0 HG21 THR A 48 1.451 6.484 8.754 1.00 2.36 H new ATOM 0 HG22 THR A 48 0.921 8.181 8.838 1.00 2.36 H new ATOM 0 HG23 THR A 48 -0.284 6.878 8.702 1.00 2.36 H new ATOM 727 N PHE A 49 0.313 10.450 7.451 1.00 2.55 N ATOM 728 CA PHE A 49 0.816 11.827 7.446 1.00 2.88 C ATOM 729 C PHE A 49 1.092 12.418 8.834 1.00 2.94 C ATOM 730 O PHE A 49 0.705 11.869 9.864 1.00 2.93 O ATOM 731 CB PHE A 49 -0.199 12.687 6.674 1.00 2.81 C ATOM 732 CG PHE A 49 -1.607 12.647 7.246 1.00 2.50 C ATOM 733 CD1 PHE A 49 -1.945 13.345 8.424 1.00 3.05 C ATOM 734 CD2 PHE A 49 -2.585 11.864 6.613 1.00 2.96 C ATOM 735 CE1 PHE A 49 -3.241 13.269 8.953 1.00 2.78 C ATOM 736 CE2 PHE A 49 -3.888 11.810 7.123 1.00 2.89 C ATOM 737 CZ PHE A 49 -4.217 12.504 8.295 1.00 2.08 C ATOM 0 H PHE A 49 -0.143 10.166 8.318 1.00 2.55 H new ATOM 0 HA PHE A 49 1.793 11.821 6.963 1.00 2.88 H new ATOM 0 HB2 PHE A 49 0.149 13.720 6.665 1.00 2.81 H new ATOM 0 HB3 PHE A 49 -0.230 12.351 5.637 1.00 2.81 H new ATOM 0 HD1 PHE A 49 -1.198 13.944 8.923 1.00 3.05 H new ATOM 0 HD2 PHE A 49 -2.331 11.300 5.728 1.00 2.96 H new ATOM 0 HE1 PHE A 49 -3.487 13.797 9.863 1.00 2.78 H new ATOM 0 HE2 PHE A 49 -4.642 11.231 6.611 1.00 2.89 H new ATOM 0 HZ PHE A 49 -5.220 12.450 8.692 1.00 2.08 H new ATOM 747 N MET A 50 1.703 13.611 8.832 1.00 3.04 N ATOM 748 CA MET A 50 1.508 14.656 9.843 1.00 2.78 C ATOM 749 C MET A 50 0.948 15.900 9.146 1.00 2.65 C ATOM 750 O MET A 50 1.514 16.325 8.141 1.00 3.31 O ATOM 751 CB MET A 50 2.827 15.003 10.548 1.00 3.28 C ATOM 752 CG MET A 50 3.148 13.961 11.623 1.00 5.30 C ATOM 753 SD MET A 50 4.732 14.179 12.476 1.00 6.32 S ATOM 754 CE MET A 50 5.867 13.614 11.181 1.00 6.78 C ATOM 0 H MET A 50 2.365 13.882 8.105 1.00 3.04 H new ATOM 0 HA MET A 50 0.814 14.295 10.602 1.00 2.78 H new ATOM 0 HB2 MET A 50 3.636 15.044 9.819 1.00 3.28 H new ATOM 0 HB3 MET A 50 2.755 15.992 11.001 1.00 3.28 H new ATOM 0 HG2 MET A 50 2.351 13.974 12.366 1.00 5.30 H new ATOM 0 HG3 MET A 50 3.137 12.974 11.161 1.00 5.30 H new ATOM 0 HE1 MET A 50 6.685 13.053 11.633 1.00 6.78 H new ATOM 0 HE2 MET A 50 5.331 12.973 10.482 1.00 6.78 H new ATOM 0 HE3 MET A 50 6.269 14.476 10.648 1.00 6.78 H new ATOM 764 N ARG A 51 -0.168 16.427 9.661 1.00 2.16 N ATOM 765 CA ARG A 51 -0.922 17.567 9.122 1.00 2.20 C ATOM 766 C ARG A 51 -1.553 18.374 10.272 1.00 1.88 C ATOM 767 O ARG A 51 -1.535 17.952 11.437 1.00 1.72 O ATOM 768 CB ARG A 51 -1.984 17.094 8.095 1.00 2.57 C ATOM 769 CG ARG A 51 -1.356 16.471 6.832 1.00 4.36 C ATOM 770 CD ARG A 51 -2.369 16.064 5.743 1.00 4.77 C ATOM 771 NE ARG A 51 -1.789 15.222 4.668 1.00 6.74 N ATOM 772 CZ ARG A 51 -0.715 15.428 3.911 1.00 7.93 C ATOM 773 NH1 ARG A 51 0.042 16.503 3.998 1.00 8.02 N ATOM 774 NH2 ARG A 51 -0.393 14.507 3.036 1.00 9.62 N ATOM 0 H ARG A 51 -0.593 16.051 10.509 1.00 2.16 H new ATOM 0 HA ARG A 51 -0.236 18.225 8.589 1.00 2.20 H new ATOM 0 HB2 ARG A 51 -2.640 16.363 8.568 1.00 2.57 H new ATOM 0 HB3 ARG A 51 -2.606 17.941 7.806 1.00 2.57 H new ATOM 0 HG2 ARG A 51 -0.650 17.183 6.405 1.00 4.36 H new ATOM 0 HG3 ARG A 51 -0.783 15.591 7.124 1.00 4.36 H new ATOM 0 HD2 ARG A 51 -3.192 15.524 6.210 1.00 4.77 H new ATOM 0 HD3 ARG A 51 -2.791 16.965 5.298 1.00 4.77 H new ATOM 0 HE ARG A 51 -2.290 14.353 4.481 1.00 6.74 H new ATOM 0 HH11 ARG A 51 -0.184 17.233 4.674 1.00 8.02 H new ATOM 0 HH12 ARG A 51 0.854 16.605 3.390 1.00 8.02 H new ATOM 0 HH21 ARG A 51 -0.960 13.663 2.951 1.00 9.62 H new ATOM 0 HH22 ARG A 51 0.425 14.634 2.440 1.00 9.62 H new ATOM 788 N GLU A 52 -2.094 19.542 9.951 1.00 2.01 N ATOM 789 CA GLU A 52 -2.497 20.546 10.929 1.00 1.93 C ATOM 790 C GLU A 52 -4.011 20.567 11.150 1.00 1.99 C ATOM 791 O GLU A 52 -4.790 20.159 10.294 1.00 2.26 O ATOM 792 CB GLU A 52 -1.961 21.919 10.508 1.00 2.14 C ATOM 793 CG GLU A 52 -0.435 21.989 10.679 1.00 2.79 C ATOM 794 CD GLU A 52 0.320 20.979 9.802 1.00 3.72 C ATOM 795 OE1 GLU A 52 0.005 20.903 8.594 1.00 4.74 O ATOM 796 OE2 GLU A 52 1.042 20.140 10.384 1.00 4.10 O ATOM 0 H GLU A 52 -2.268 19.824 8.986 1.00 2.01 H new ATOM 0 HA GLU A 52 -2.060 20.280 11.892 1.00 1.93 H new ATOM 0 HB2 GLU A 52 -2.224 22.113 9.468 1.00 2.14 H new ATOM 0 HB3 GLU A 52 -2.434 22.697 11.107 1.00 2.14 H new ATOM 0 HG2 GLU A 52 -0.095 22.996 10.437 1.00 2.79 H new ATOM 0 HG3 GLU A 52 -0.185 21.811 11.725 1.00 2.79 H new ATOM 803 N VAL A 53 -4.409 21.063 12.321 1.00 1.87 N ATOM 804 CA VAL A 53 -5.813 21.221 12.750 1.00 2.08 C ATOM 805 C VAL A 53 -5.948 22.563 13.476 1.00 2.36 C ATOM 806 O VAL A 53 -6.032 23.613 12.847 1.00 3.45 O ATOM 807 CB VAL A 53 -6.333 19.998 13.561 1.00 1.95 C ATOM 808 CG1 VAL A 53 -7.840 20.129 13.858 1.00 2.74 C ATOM 809 CG2 VAL A 53 -6.118 18.649 12.850 1.00 2.67 C ATOM 0 H VAL A 53 -3.745 21.379 13.028 1.00 1.87 H new ATOM 0 HA VAL A 53 -6.467 21.241 11.878 1.00 2.08 H new ATOM 0 HB VAL A 53 -5.747 20.004 14.480 1.00 1.95 H new ATOM 0 HG11 VAL A 53 -8.176 19.261 14.425 1.00 2.74 H new ATOM 0 HG12 VAL A 53 -8.019 21.034 14.439 1.00 2.74 H new ATOM 0 HG13 VAL A 53 -8.392 20.185 12.920 1.00 2.74 H new ATOM 0 HG21 VAL A 53 -6.505 17.843 13.474 1.00 2.67 H new ATOM 0 HG22 VAL A 53 -6.644 18.653 11.895 1.00 2.67 H new ATOM 0 HG23 VAL A 53 -5.053 18.495 12.677 1.00 2.67 H new ATOM 819 N GLU A 54 -5.876 22.536 14.803 1.00 2.02 N ATOM 820 CA GLU A 54 -5.848 23.686 15.722 1.00 2.12 C ATOM 821 C GLU A 54 -4.446 24.351 15.719 1.00 2.04 C ATOM 822 O GLU A 54 -3.835 24.607 16.750 1.00 2.12 O ATOM 823 CB GLU A 54 -6.349 23.161 17.087 1.00 2.27 C ATOM 824 CG GLU A 54 -6.632 24.199 18.189 1.00 2.47 C ATOM 825 CD GLU A 54 -5.485 24.368 19.185 1.00 2.72 C ATOM 826 OE1 GLU A 54 -4.825 23.363 19.537 1.00 2.80 O ATOM 827 OE2 GLU A 54 -5.174 25.521 19.560 1.00 3.72 O ATOM 0 H GLU A 54 -5.832 21.651 15.308 1.00 2.02 H new ATOM 0 HA GLU A 54 -6.507 24.500 15.420 1.00 2.12 H new ATOM 0 HB2 GLU A 54 -7.265 22.596 16.914 1.00 2.27 H new ATOM 0 HB3 GLU A 54 -5.609 22.458 17.469 1.00 2.27 H new ATOM 0 HG2 GLU A 54 -6.841 25.162 17.723 1.00 2.47 H new ATOM 0 HG3 GLU A 54 -7.531 23.905 18.731 1.00 2.47 H new ATOM 834 N GLY A 55 -3.844 24.507 14.531 1.00 2.03 N ATOM 835 CA GLY A 55 -2.441 24.903 14.336 1.00 2.09 C ATOM 836 C GLY A 55 -1.425 23.818 14.717 1.00 2.02 C ATOM 837 O GLY A 55 -0.262 23.898 14.334 1.00 2.29 O ATOM 0 H GLY A 55 -4.336 24.356 13.650 1.00 2.03 H new ATOM 0 HA2 GLY A 55 -2.293 25.173 13.290 1.00 2.09 H new ATOM 0 HA3 GLY A 55 -2.241 25.796 14.928 1.00 2.09 H new ATOM 841 N LYS A 56 -1.833 22.781 15.454 1.00 1.80 N ATOM 842 CA LYS A 56 -0.966 21.706 15.915 1.00 1.77 C ATOM 843 C LYS A 56 -0.747 20.668 14.807 1.00 1.68 C ATOM 844 O LYS A 56 -1.704 20.190 14.201 1.00 1.72 O ATOM 845 CB LYS A 56 -1.585 21.047 17.160 1.00 1.94 C ATOM 846 CG LYS A 56 -2.116 21.987 18.258 1.00 2.22 C ATOM 847 CD LYS A 56 -1.097 22.993 18.821 1.00 2.46 C ATOM 848 CE LYS A 56 -1.775 23.903 19.857 1.00 2.65 C ATOM 849 NZ LYS A 56 -2.583 24.969 19.221 1.00 4.02 N ATOM 0 H LYS A 56 -2.802 22.668 15.751 1.00 1.80 H new ATOM 0 HA LYS A 56 0.007 22.123 16.176 1.00 1.77 H new ATOM 0 HB2 LYS A 56 -2.407 20.410 16.833 1.00 1.94 H new ATOM 0 HB3 LYS A 56 -0.834 20.395 17.606 1.00 1.94 H new ATOM 0 HG2 LYS A 56 -2.964 22.542 17.857 1.00 2.22 H new ATOM 0 HG3 LYS A 56 -2.493 21.379 19.081 1.00 2.22 H new ATOM 0 HD2 LYS A 56 -0.265 22.461 19.281 1.00 2.46 H new ATOM 0 HD3 LYS A 56 -0.682 23.595 18.012 1.00 2.46 H new ATOM 0 HE2 LYS A 56 -2.414 23.302 20.503 1.00 2.65 H new ATOM 0 HE3 LYS A 56 -1.015 24.356 20.493 1.00 2.65 H new ATOM 0 HZ1 LYS A 56 -3.417 25.170 19.809 1.00 4.02 H new ATOM 0 HZ2 LYS A 56 -2.009 25.831 19.128 1.00 4.02 H new ATOM 0 HZ3 LYS A 56 -2.892 24.655 18.279 1.00 4.02 H new ATOM 863 N LYS A 57 0.510 20.287 14.579 1.00 1.64 N ATOM 864 CA LYS A 57 0.913 19.302 13.566 1.00 1.60 C ATOM 865 C LYS A 57 0.765 17.848 14.074 1.00 1.56 C ATOM 866 O LYS A 57 1.698 17.300 14.666 1.00 2.03 O ATOM 867 CB LYS A 57 2.323 19.658 13.066 1.00 1.72 C ATOM 868 CG LYS A 57 3.447 19.758 14.119 1.00 2.58 C ATOM 869 CD LYS A 57 4.806 19.293 13.572 1.00 3.64 C ATOM 870 CE LYS A 57 4.805 17.834 13.077 1.00 5.06 C ATOM 871 NZ LYS A 57 4.420 16.866 14.134 1.00 7.06 N ATOM 0 H LYS A 57 1.299 20.662 15.105 1.00 1.64 H new ATOM 0 HA LYS A 57 0.238 19.349 12.711 1.00 1.60 H new ATOM 0 HB2 LYS A 57 2.618 18.911 12.329 1.00 1.72 H new ATOM 0 HB3 LYS A 57 2.264 20.613 12.545 1.00 1.72 H new ATOM 0 HG2 LYS A 57 3.530 20.790 14.461 1.00 2.58 H new ATOM 0 HG3 LYS A 57 3.182 19.155 14.987 1.00 2.58 H new ATOM 0 HD2 LYS A 57 5.100 19.946 12.751 1.00 3.64 H new ATOM 0 HD3 LYS A 57 5.559 19.403 14.352 1.00 3.64 H new ATOM 0 HE2 LYS A 57 4.116 17.741 12.238 1.00 5.06 H new ATOM 0 HE3 LYS A 57 5.798 17.581 12.704 1.00 5.06 H new ATOM 0 HZ1 LYS A 57 4.598 15.898 13.800 1.00 7.06 H new ATOM 0 HZ2 LYS A 57 4.982 17.046 14.991 1.00 7.06 H new ATOM 0 HZ3 LYS A 57 3.409 16.976 14.354 1.00 7.06 H new ATOM 885 N VAL A 58 -0.391 17.222 13.862 1.00 1.32 N ATOM 886 CA VAL A 58 -0.770 15.905 14.422 1.00 1.35 C ATOM 887 C VAL A 58 -0.677 14.796 13.363 1.00 1.57 C ATOM 888 O VAL A 58 -0.877 15.068 12.180 1.00 1.73 O ATOM 889 CB VAL A 58 -2.176 15.988 15.069 1.00 1.39 C ATOM 890 CG1 VAL A 58 -3.305 16.264 14.061 1.00 1.66 C ATOM 891 CG2 VAL A 58 -2.503 14.740 15.905 1.00 3.01 C ATOM 0 H VAL A 58 -1.123 17.624 13.276 1.00 1.32 H new ATOM 0 HA VAL A 58 -0.059 15.639 15.204 1.00 1.35 H new ATOM 0 HB VAL A 58 -2.126 16.850 15.734 1.00 1.39 H new ATOM 0 HG11 VAL A 58 -4.259 16.308 14.586 1.00 1.66 H new ATOM 0 HG12 VAL A 58 -3.122 17.215 13.561 1.00 1.66 H new ATOM 0 HG13 VAL A 58 -3.335 15.464 13.321 1.00 1.66 H new ATOM 0 HG21 VAL A 58 -3.498 14.843 16.339 1.00 3.01 H new ATOM 0 HG22 VAL A 58 -2.475 13.857 15.267 1.00 3.01 H new ATOM 0 HG23 VAL A 58 -1.768 14.634 16.703 1.00 3.01 H new ATOM 901 N MET A 59 -0.347 13.559 13.760 1.00 1.72 N ATOM 902 CA MET A 59 -0.303 12.401 12.852 1.00 1.93 C ATOM 903 C MET A 59 -1.624 11.627 12.748 1.00 1.81 C ATOM 904 O MET A 59 -2.465 11.662 13.644 1.00 1.67 O ATOM 905 CB MET A 59 0.882 11.465 13.153 1.00 2.18 C ATOM 906 CG MET A 59 0.769 10.638 14.437 1.00 4.17 C ATOM 907 SD MET A 59 0.965 11.591 15.969 1.00 5.30 S ATOM 908 CE MET A 59 -0.727 11.502 16.602 1.00 6.60 C ATOM 0 H MET A 59 -0.102 13.331 14.724 1.00 1.72 H new ATOM 0 HA MET A 59 -0.142 12.833 11.864 1.00 1.93 H new ATOM 0 HB2 MET A 59 1.003 10.782 12.313 1.00 2.18 H new ATOM 0 HB3 MET A 59 1.790 12.066 13.209 1.00 2.18 H new ATOM 0 HG2 MET A 59 -0.204 10.146 14.452 1.00 4.17 H new ATOM 0 HG3 MET A 59 1.523 9.852 14.415 1.00 4.17 H new ATOM 0 HE1 MET A 59 -0.790 12.040 17.548 1.00 6.60 H new ATOM 0 HE2 MET A 59 -1.409 11.953 15.881 1.00 6.60 H new ATOM 0 HE3 MET A 59 -1.002 10.459 16.759 1.00 6.60 H new ATOM 918 N GLY A 60 -1.780 10.915 11.635 1.00 2.09 N ATOM 919 CA GLY A 60 -2.942 10.092 11.303 1.00 2.01 C ATOM 920 C GLY A 60 -2.821 9.509 9.898 1.00 1.73 C ATOM 921 O GLY A 60 -1.739 9.540 9.311 1.00 2.25 O ATOM 0 H GLY A 60 -1.067 10.894 10.906 1.00 2.09 H new ATOM 0 HA2 GLY A 60 -3.038 9.284 12.028 1.00 2.01 H new ATOM 0 HA3 GLY A 60 -3.849 10.693 11.374 1.00 2.01 H new ATOM 925 N MET A 61 -3.928 8.998 9.357 1.00 1.09 N ATOM 926 CA MET A 61 -4.005 8.490 7.983 1.00 0.82 C ATOM 927 C MET A 61 -5.433 8.585 7.408 1.00 0.80 C ATOM 928 O MET A 61 -6.396 8.735 8.163 1.00 0.99 O ATOM 929 CB MET A 61 -3.352 7.100 7.884 1.00 1.24 C ATOM 930 CG MET A 61 -4.160 5.936 8.408 1.00 2.08 C ATOM 931 SD MET A 61 -4.135 5.636 10.193 1.00 2.79 S ATOM 932 CE MET A 61 -2.586 4.702 10.271 1.00 3.21 C ATOM 0 H MET A 61 -4.809 8.924 9.866 1.00 1.09 H new ATOM 0 HA MET A 61 -3.419 9.137 7.331 1.00 0.82 H new ATOM 0 HB2 MET A 61 -3.116 6.908 6.837 1.00 1.24 H new ATOM 0 HB3 MET A 61 -2.406 7.129 8.424 1.00 1.24 H new ATOM 0 HG2 MET A 61 -5.197 6.084 8.106 1.00 2.08 H new ATOM 0 HG3 MET A 61 -3.809 5.032 7.910 1.00 2.08 H new ATOM 0 HE1 MET A 61 -2.384 4.417 11.304 1.00 3.21 H new ATOM 0 HE2 MET A 61 -2.671 3.805 9.657 1.00 3.21 H new ATOM 0 HE3 MET A 61 -1.769 5.320 9.899 1.00 3.21 H new ATOM 942 N ARG A 62 -5.569 8.576 6.076 1.00 0.68 N ATOM 943 CA ARG A 62 -6.821 8.857 5.340 1.00 0.69 C ATOM 944 C ARG A 62 -6.831 8.161 3.971 1.00 0.62 C ATOM 945 O ARG A 62 -5.801 8.226 3.302 1.00 0.63 O ATOM 946 CB ARG A 62 -6.926 10.360 5.021 1.00 1.01 C ATOM 947 CG ARG A 62 -7.417 11.276 6.144 1.00 1.74 C ATOM 948 CD ARG A 62 -7.240 12.734 5.692 1.00 2.32 C ATOM 949 NE ARG A 62 -8.021 13.646 6.547 1.00 3.78 N ATOM 950 CZ ARG A 62 -8.656 14.748 6.160 1.00 4.66 C ATOM 951 NH1 ARG A 62 -8.531 15.227 4.938 1.00 4.42 N ATOM 952 NH2 ARG A 62 -9.442 15.385 7.008 1.00 6.40 N ATOM 0 H ARG A 62 -4.788 8.367 5.455 1.00 0.68 H new ATOM 0 HA ARG A 62 -7.635 8.506 5.974 1.00 0.69 H new ATOM 0 HB2 ARG A 62 -5.943 10.709 4.705 1.00 1.01 H new ATOM 0 HB3 ARG A 62 -7.596 10.480 4.169 1.00 1.01 H new ATOM 0 HG2 ARG A 62 -8.464 11.073 6.369 1.00 1.74 H new ATOM 0 HG3 ARG A 62 -6.853 11.091 7.058 1.00 1.74 H new ATOM 0 HD2 ARG A 62 -6.185 13.006 5.731 1.00 2.32 H new ATOM 0 HD3 ARG A 62 -7.558 12.839 4.655 1.00 2.32 H new ATOM 0 HE ARG A 62 -8.080 13.407 7.537 1.00 3.78 H new ATOM 0 HH11 ARG A 62 -7.935 14.750 4.262 1.00 4.42 H new ATOM 0 HH12 ARG A 62 -9.030 16.075 4.669 1.00 4.42 H new ATOM 0 HH21 ARG A 62 -9.561 15.031 7.957 1.00 6.40 H new ATOM 0 HH22 ARG A 62 -9.930 16.231 6.714 1.00 6.40 H new ATOM 966 N PRO A 63 -7.962 7.608 3.488 1.00 0.65 N ATOM 967 CA PRO A 63 -8.082 7.139 2.112 1.00 0.64 C ATOM 968 C PRO A 63 -8.035 8.285 1.100 1.00 0.65 C ATOM 969 O PRO A 63 -8.519 9.385 1.363 1.00 0.72 O ATOM 970 CB PRO A 63 -9.385 6.346 2.020 1.00 0.72 C ATOM 971 CG PRO A 63 -10.213 6.900 3.168 1.00 0.89 C ATOM 972 CD PRO A 63 -9.202 7.377 4.211 1.00 0.70 C ATOM 0 HA PRO A 63 -7.232 6.505 1.858 1.00 0.64 H new ATOM 0 HB2 PRO A 63 -9.879 6.494 1.060 1.00 0.72 H new ATOM 0 HB3 PRO A 63 -9.213 5.275 2.128 1.00 0.72 H new ATOM 0 HG2 PRO A 63 -10.848 7.721 2.833 1.00 0.89 H new ATOM 0 HG3 PRO A 63 -10.871 6.136 3.581 1.00 0.89 H new ATOM 0 HD2 PRO A 63 -9.545 8.289 4.699 1.00 0.70 H new ATOM 0 HD3 PRO A 63 -9.065 6.630 4.992 1.00 0.70 H new ATOM 980 N VAL A 64 -7.468 7.980 -0.071 1.00 0.62 N ATOM 981 CA VAL A 64 -7.350 8.861 -1.251 1.00 0.64 C ATOM 982 C VAL A 64 -7.996 8.206 -2.481 1.00 0.66 C ATOM 983 O VAL A 64 -8.096 6.979 -2.524 1.00 0.66 O ATOM 984 CB VAL A 64 -5.874 9.196 -1.590 1.00 0.60 C ATOM 985 CG1 VAL A 64 -5.379 10.351 -0.717 1.00 0.65 C ATOM 986 CG2 VAL A 64 -4.921 7.996 -1.468 1.00 0.56 C ATOM 0 H VAL A 64 -7.054 7.063 -0.237 1.00 0.62 H new ATOM 0 HA VAL A 64 -7.867 9.786 -0.998 1.00 0.64 H new ATOM 0 HB VAL A 64 -5.864 9.488 -2.640 1.00 0.60 H new ATOM 0 HG11 VAL A 64 -4.342 10.576 -0.965 1.00 0.65 H new ATOM 0 HG12 VAL A 64 -5.994 11.233 -0.897 1.00 0.65 H new ATOM 0 HG13 VAL A 64 -5.448 10.068 0.333 1.00 0.65 H new ATOM 0 HG21 VAL A 64 -3.908 8.309 -1.721 1.00 0.56 H new ATOM 0 HG22 VAL A 64 -4.940 7.619 -0.446 1.00 0.56 H new ATOM 0 HG23 VAL A 64 -5.239 7.208 -2.151 1.00 0.56 H new ATOM 996 N PRO A 65 -8.407 8.990 -3.500 1.00 0.73 N ATOM 997 CA PRO A 65 -8.986 8.453 -4.730 1.00 0.78 C ATOM 998 C PRO A 65 -7.974 7.694 -5.603 1.00 0.65 C ATOM 999 O PRO A 65 -8.412 6.995 -6.514 1.00 0.76 O ATOM 1000 CB PRO A 65 -9.564 9.667 -5.467 1.00 0.91 C ATOM 1001 CG PRO A 65 -8.674 10.817 -5.001 1.00 0.89 C ATOM 1002 CD PRO A 65 -8.396 10.448 -3.547 1.00 0.80 C ATOM 0 HA PRO A 65 -9.746 7.707 -4.498 1.00 0.78 H new ATOM 0 HB2 PRO A 65 -9.522 9.539 -6.549 1.00 0.91 H new ATOM 0 HB3 PRO A 65 -10.609 9.836 -5.206 1.00 0.91 H new ATOM 0 HG2 PRO A 65 -7.757 10.883 -5.586 1.00 0.89 H new ATOM 0 HG3 PRO A 65 -9.177 11.780 -5.087 1.00 0.89 H new ATOM 0 HD2 PRO A 65 -7.434 10.843 -3.220 1.00 0.80 H new ATOM 0 HD3 PRO A 65 -9.154 10.867 -2.885 1.00 0.80 H new ATOM 1010 N PHE A 66 -6.660 7.813 -5.343 1.00 0.48 N ATOM 1011 CA PHE A 66 -5.575 7.177 -6.092 1.00 0.42 C ATOM 1012 C PHE A 66 -4.215 7.575 -5.502 1.00 0.44 C ATOM 1013 O PHE A 66 -4.094 8.543 -4.751 1.00 0.53 O ATOM 1014 CB PHE A 66 -5.633 7.527 -7.601 1.00 0.48 C ATOM 1015 CG PHE A 66 -5.691 9.014 -7.916 1.00 0.56 C ATOM 1016 CD1 PHE A 66 -4.555 9.826 -7.737 1.00 1.76 C ATOM 1017 CD2 PHE A 66 -6.895 9.594 -8.357 1.00 1.56 C ATOM 1018 CE1 PHE A 66 -4.634 11.212 -7.944 1.00 1.88 C ATOM 1019 CE2 PHE A 66 -6.963 10.978 -8.604 1.00 1.58 C ATOM 1020 CZ PHE A 66 -5.838 11.790 -8.386 1.00 0.89 C ATOM 0 H PHE A 66 -6.316 8.382 -4.569 1.00 0.48 H new ATOM 0 HA PHE A 66 -5.701 6.098 -6.001 1.00 0.42 H new ATOM 0 HB2 PHE A 66 -4.757 7.101 -8.091 1.00 0.48 H new ATOM 0 HB3 PHE A 66 -6.508 7.045 -8.037 1.00 0.48 H new ATOM 0 HD1 PHE A 66 -3.618 9.380 -7.439 1.00 1.76 H new ATOM 0 HD2 PHE A 66 -7.768 8.976 -8.506 1.00 1.56 H new ATOM 0 HE1 PHE A 66 -3.770 11.835 -7.764 1.00 1.88 H new ATOM 0 HE2 PHE A 66 -7.883 11.417 -8.962 1.00 1.58 H new ATOM 0 HZ PHE A 66 -5.897 12.855 -8.557 1.00 0.89 H new ATOM 1030 N LEU A 67 -3.177 6.873 -5.949 1.00 0.44 N ATOM 1031 CA LEU A 67 -1.801 7.349 -6.032 1.00 0.47 C ATOM 1032 C LEU A 67 -1.381 7.441 -7.504 1.00 0.44 C ATOM 1033 O LEU A 67 -2.092 6.973 -8.396 1.00 0.44 O ATOM 1034 CB LEU A 67 -0.880 6.385 -5.255 1.00 0.52 C ATOM 1035 CG LEU A 67 -0.254 7.019 -4.006 1.00 0.62 C ATOM 1036 CD1 LEU A 67 0.629 5.951 -3.347 1.00 1.00 C ATOM 1037 CD2 LEU A 67 0.633 8.239 -4.326 1.00 0.98 C ATOM 0 H LEU A 67 -3.278 5.913 -6.278 1.00 0.44 H new ATOM 0 HA LEU A 67 -1.720 8.341 -5.587 1.00 0.47 H new ATOM 0 HB2 LEU A 67 -1.452 5.506 -4.960 1.00 0.52 H new ATOM 0 HB3 LEU A 67 -0.085 6.041 -5.917 1.00 0.52 H new ATOM 0 HG LEU A 67 -1.062 7.365 -3.362 1.00 0.62 H new ATOM 0 HD11 LEU A 67 1.094 6.365 -2.452 1.00 1.00 H new ATOM 0 HD12 LEU A 67 0.017 5.091 -3.074 1.00 1.00 H new ATOM 0 HD13 LEU A 67 1.404 5.638 -4.046 1.00 1.00 H new ATOM 0 HD21 LEU A 67 1.046 8.641 -3.401 1.00 0.98 H new ATOM 0 HD22 LEU A 67 1.447 7.935 -4.984 1.00 0.98 H new ATOM 0 HD23 LEU A 67 0.034 9.005 -4.819 1.00 0.98 H new ATOM 1049 N GLU A 68 -0.189 7.968 -7.771 1.00 0.50 N ATOM 1050 CA GLU A 68 0.405 7.939 -9.102 1.00 0.52 C ATOM 1051 C GLU A 68 1.926 7.828 -9.022 1.00 0.71 C ATOM 1052 O GLU A 68 2.514 8.036 -7.963 1.00 0.87 O ATOM 1053 CB GLU A 68 -0.089 9.125 -9.946 1.00 0.67 C ATOM 1054 CG GLU A 68 0.612 10.465 -9.697 1.00 1.02 C ATOM 1055 CD GLU A 68 -0.069 11.525 -10.558 1.00 1.37 C ATOM 1056 OE1 GLU A 68 -0.103 11.336 -11.795 1.00 2.08 O ATOM 1057 OE2 GLU A 68 -0.750 12.407 -9.999 1.00 2.36 O ATOM 0 H GLU A 68 0.392 8.427 -7.069 1.00 0.50 H new ATOM 0 HA GLU A 68 0.071 7.041 -9.622 1.00 0.52 H new ATOM 0 HB2 GLU A 68 0.025 8.868 -10.999 1.00 0.67 H new ATOM 0 HB3 GLU A 68 -1.156 9.256 -9.763 1.00 0.67 H new ATOM 0 HG2 GLU A 68 0.552 10.735 -8.643 1.00 1.02 H new ATOM 0 HG3 GLU A 68 1.670 10.393 -9.948 1.00 1.02 H new ATOM 1064 N VAL A 69 2.545 7.450 -10.137 1.00 0.76 N ATOM 1065 CA VAL A 69 3.972 7.135 -10.234 1.00 0.92 C ATOM 1066 C VAL A 69 4.477 7.651 -11.587 1.00 0.87 C ATOM 1067 O VAL A 69 3.900 7.277 -12.611 1.00 0.83 O ATOM 1068 CB VAL A 69 4.228 5.609 -10.125 1.00 1.01 C ATOM 1069 CG1 VAL A 69 5.729 5.325 -9.981 1.00 1.21 C ATOM 1070 CG2 VAL A 69 3.471 4.932 -8.968 1.00 1.06 C ATOM 0 H VAL A 69 2.055 7.351 -11.026 1.00 0.76 H new ATOM 0 HA VAL A 69 4.502 7.613 -9.410 1.00 0.92 H new ATOM 0 HB VAL A 69 3.844 5.180 -11.051 1.00 1.01 H new ATOM 0 HG11 VAL A 69 5.890 4.250 -9.906 1.00 1.21 H new ATOM 0 HG12 VAL A 69 6.258 5.711 -10.853 1.00 1.21 H new ATOM 0 HG13 VAL A 69 6.107 5.812 -9.082 1.00 1.21 H new ATOM 0 HG21 VAL A 69 3.701 3.867 -8.957 1.00 1.06 H new ATOM 0 HG22 VAL A 69 3.777 5.379 -8.022 1.00 1.06 H new ATOM 0 HG23 VAL A 69 2.398 5.070 -9.105 1.00 1.06 H new ATOM 1080 N PRO A 70 5.521 8.497 -11.636 1.00 0.90 N ATOM 1081 CA PRO A 70 6.044 8.997 -12.899 1.00 0.84 C ATOM 1082 C PRO A 70 6.779 7.882 -13.662 1.00 0.78 C ATOM 1083 O PRO A 70 7.173 6.886 -13.052 1.00 0.81 O ATOM 1084 CB PRO A 70 6.973 10.151 -12.527 1.00 0.95 C ATOM 1085 CG PRO A 70 7.484 9.754 -11.141 1.00 1.03 C ATOM 1086 CD PRO A 70 6.289 9.028 -10.519 1.00 1.04 C ATOM 0 HA PRO A 70 5.254 9.337 -13.568 1.00 0.84 H new ATOM 0 HB2 PRO A 70 7.789 10.258 -13.242 1.00 0.95 H new ATOM 0 HB3 PRO A 70 6.443 11.103 -12.503 1.00 0.95 H new ATOM 0 HG2 PRO A 70 8.359 9.107 -11.205 1.00 1.03 H new ATOM 0 HG3 PRO A 70 7.775 10.626 -10.555 1.00 1.03 H new ATOM 0 HD2 PRO A 70 6.619 8.228 -9.856 1.00 1.04 H new ATOM 0 HD3 PRO A 70 5.686 9.710 -9.919 1.00 1.04 H new ATOM 1094 N PRO A 71 6.984 8.038 -14.982 1.00 0.74 N ATOM 1095 CA PRO A 71 7.723 7.083 -15.798 1.00 0.72 C ATOM 1096 C PRO A 71 9.166 6.943 -15.306 1.00 0.78 C ATOM 1097 O PRO A 71 9.789 7.932 -14.926 1.00 0.84 O ATOM 1098 CB PRO A 71 7.635 7.603 -17.232 1.00 0.72 C ATOM 1099 CG PRO A 71 7.319 9.089 -17.097 1.00 0.77 C ATOM 1100 CD PRO A 71 6.556 9.177 -15.780 1.00 0.77 C ATOM 0 HA PRO A 71 7.303 6.079 -15.734 1.00 0.72 H new ATOM 0 HB2 PRO A 71 8.572 7.446 -17.766 1.00 0.72 H new ATOM 0 HB3 PRO A 71 6.858 7.084 -17.793 1.00 0.72 H new ATOM 0 HG2 PRO A 71 8.227 9.691 -17.075 1.00 0.77 H new ATOM 0 HG3 PRO A 71 6.719 9.448 -17.933 1.00 0.77 H new ATOM 0 HD2 PRO A 71 6.773 10.114 -15.267 1.00 0.77 H new ATOM 0 HD3 PRO A 71 5.480 9.149 -15.952 1.00 0.77 H new ATOM 1108 N LYS A 72 9.669 5.700 -15.275 1.00 0.82 N ATOM 1109 CA LYS A 72 11.017 5.310 -14.804 1.00 0.92 C ATOM 1110 C LYS A 72 11.219 5.476 -13.285 1.00 0.98 C ATOM 1111 O LYS A 72 12.288 5.181 -12.750 1.00 1.11 O ATOM 1112 CB LYS A 72 12.116 6.036 -15.601 1.00 0.97 C ATOM 1113 CG LYS A 72 11.884 6.050 -17.117 1.00 1.04 C ATOM 1114 CD LYS A 72 11.825 4.650 -17.749 1.00 1.06 C ATOM 1115 CE LYS A 72 11.394 4.780 -19.210 1.00 1.26 C ATOM 1116 NZ LYS A 72 11.248 3.469 -19.880 1.00 1.67 N ATOM 0 H LYS A 72 9.125 4.897 -15.592 1.00 0.82 H new ATOM 0 HA LYS A 72 11.100 4.240 -14.994 1.00 0.92 H new ATOM 0 HB2 LYS A 72 12.189 7.064 -15.246 1.00 0.97 H new ATOM 0 HB3 LYS A 72 13.074 5.559 -15.395 1.00 0.97 H new ATOM 0 HG2 LYS A 72 10.951 6.573 -17.327 1.00 1.04 H new ATOM 0 HG3 LYS A 72 12.683 6.619 -17.592 1.00 1.04 H new ATOM 0 HD2 LYS A 72 12.800 4.167 -17.686 1.00 1.06 H new ATOM 0 HD3 LYS A 72 11.122 4.020 -17.204 1.00 1.06 H new ATOM 0 HE2 LYS A 72 10.446 5.316 -19.259 1.00 1.26 H new ATOM 0 HE3 LYS A 72 12.127 5.380 -19.749 1.00 1.26 H new ATOM 0 HZ1 LYS A 72 10.341 3.438 -20.389 1.00 1.67 H new ATOM 0 HZ2 LYS A 72 12.028 3.335 -20.554 1.00 1.67 H new ATOM 0 HZ3 LYS A 72 11.272 2.711 -19.168 1.00 1.67 H new ATOM 1130 N GLY A 73 10.189 5.945 -12.582 1.00 0.92 N ATOM 1131 CA GLY A 73 10.201 6.287 -11.167 1.00 0.97 C ATOM 1132 C GLY A 73 9.936 5.083 -10.290 1.00 0.89 C ATOM 1133 O GLY A 73 8.833 4.544 -10.266 1.00 0.80 O ATOM 0 H GLY A 73 9.277 6.104 -13.010 1.00 0.92 H new ATOM 0 HA2 GLY A 73 11.167 6.719 -10.907 1.00 0.97 H new ATOM 0 HA3 GLY A 73 9.448 7.050 -10.972 1.00 0.97 H new ATOM 1137 N ARG A 74 10.950 4.756 -9.492 1.00 1.41 N ATOM 1138 CA ARG A 74 10.797 3.992 -8.249 1.00 1.36 C ATOM 1139 C ARG A 74 10.257 4.900 -7.139 1.00 1.33 C ATOM 1140 O ARG A 74 10.786 5.984 -6.915 1.00 1.49 O ATOM 1141 CB ARG A 74 12.110 3.290 -7.827 1.00 1.50 C ATOM 1142 CG ARG A 74 11.987 2.594 -6.452 1.00 1.63 C ATOM 1143 CD ARG A 74 13.170 1.680 -6.086 1.00 1.71 C ATOM 1144 NE ARG A 74 12.951 0.305 -6.564 1.00 2.67 N ATOM 1145 CZ ARG A 74 13.097 -0.836 -5.906 1.00 3.30 C ATOM 1146 NH1 ARG A 74 13.738 -0.936 -4.760 1.00 3.41 N ATOM 1147 NH2 ARG A 74 12.555 -1.916 -6.416 1.00 4.71 N ATOM 0 H ARG A 74 11.916 5.016 -9.691 1.00 1.41 H new ATOM 0 HA ARG A 74 10.074 3.197 -8.429 1.00 1.36 H new ATOM 0 HB2 ARG A 74 12.384 2.553 -8.582 1.00 1.50 H new ATOM 0 HB3 ARG A 74 12.916 4.023 -7.790 1.00 1.50 H new ATOM 0 HG2 ARG A 74 11.884 3.358 -5.681 1.00 1.63 H new ATOM 0 HG3 ARG A 74 11.071 2.003 -6.440 1.00 1.63 H new ATOM 0 HD2 ARG A 74 14.087 2.077 -6.521 1.00 1.71 H new ATOM 0 HD3 ARG A 74 13.307 1.674 -5.005 1.00 1.71 H new ATOM 0 HE ARG A 74 12.645 0.219 -7.533 1.00 2.67 H new ATOM 0 HH11 ARG A 74 14.154 -0.108 -4.334 1.00 3.41 H new ATOM 0 HH12 ARG A 74 13.819 -1.842 -4.298 1.00 3.41 H new ATOM 0 HH21 ARG A 74 12.039 -1.862 -7.294 1.00 4.71 H new ATOM 0 HH22 ARG A 74 12.649 -2.810 -5.934 1.00 4.71 H new ATOM 1161 N VAL A 75 9.234 4.426 -6.436 1.00 1.19 N ATOM 1162 CA VAL A 75 8.591 5.061 -5.274 1.00 1.16 C ATOM 1163 C VAL A 75 8.361 4.026 -4.162 1.00 1.04 C ATOM 1164 O VAL A 75 8.620 2.840 -4.360 1.00 1.44 O ATOM 1165 CB VAL A 75 7.248 5.727 -5.665 1.00 1.39 C ATOM 1166 CG1 VAL A 75 7.454 6.883 -6.658 1.00 1.68 C ATOM 1167 CG2 VAL A 75 6.228 4.721 -6.230 1.00 1.46 C ATOM 0 H VAL A 75 8.799 3.534 -6.671 1.00 1.19 H new ATOM 0 HA VAL A 75 9.260 5.840 -4.907 1.00 1.16 H new ATOM 0 HB VAL A 75 6.836 6.130 -4.740 1.00 1.39 H new ATOM 0 HG11 VAL A 75 6.489 7.324 -6.908 1.00 1.68 H new ATOM 0 HG12 VAL A 75 8.094 7.641 -6.206 1.00 1.68 H new ATOM 0 HG13 VAL A 75 7.925 6.504 -7.565 1.00 1.68 H new ATOM 0 HG21 VAL A 75 5.306 5.243 -6.487 1.00 1.46 H new ATOM 0 HG22 VAL A 75 6.639 4.249 -7.123 1.00 1.46 H new ATOM 0 HG23 VAL A 75 6.016 3.958 -5.481 1.00 1.46 H new ATOM 1177 N GLU A 76 7.860 4.456 -2.999 1.00 0.92 N ATOM 1178 CA GLU A 76 7.525 3.584 -1.884 1.00 0.87 C ATOM 1179 C GLU A 76 6.188 4.008 -1.251 1.00 0.95 C ATOM 1180 O GLU A 76 6.087 5.070 -0.631 1.00 0.99 O ATOM 1181 CB GLU A 76 8.679 3.627 -0.871 1.00 1.05 C ATOM 1182 CG GLU A 76 8.622 2.463 0.122 1.00 2.22 C ATOM 1183 CD GLU A 76 9.593 2.674 1.292 1.00 3.07 C ATOM 1184 OE1 GLU A 76 10.603 3.388 1.113 1.00 3.18 O ATOM 1185 OE2 GLU A 76 9.262 2.350 2.458 1.00 4.27 O ATOM 0 H GLU A 76 7.675 5.441 -2.810 1.00 0.92 H new ATOM 0 HA GLU A 76 7.397 2.558 -2.230 1.00 0.87 H new ATOM 0 HB2 GLU A 76 9.629 3.601 -1.404 1.00 1.05 H new ATOM 0 HB3 GLU A 76 8.646 4.570 -0.325 1.00 1.05 H new ATOM 0 HG2 GLU A 76 7.607 2.359 0.505 1.00 2.22 H new ATOM 0 HG3 GLU A 76 8.866 1.533 -0.391 1.00 2.22 H new ATOM 1192 N LEU A 77 5.179 3.139 -1.361 1.00 1.07 N ATOM 1193 CA LEU A 77 4.031 3.108 -0.466 1.00 1.07 C ATOM 1194 C LEU A 77 4.537 2.620 0.889 1.00 1.18 C ATOM 1195 O LEU A 77 4.540 1.425 1.183 1.00 1.53 O ATOM 1196 CB LEU A 77 2.908 2.205 -1.012 1.00 1.15 C ATOM 1197 CG LEU A 77 2.074 2.812 -2.153 1.00 1.13 C ATOM 1198 CD1 LEU A 77 2.743 2.649 -3.526 1.00 1.12 C ATOM 1199 CD2 LEU A 77 0.687 2.154 -2.171 1.00 1.19 C ATOM 0 H LEU A 77 5.142 2.426 -2.090 1.00 1.07 H new ATOM 0 HA LEU A 77 3.592 4.101 -0.375 1.00 1.07 H new ATOM 0 HB2 LEU A 77 3.352 1.274 -1.364 1.00 1.15 H new ATOM 0 HB3 LEU A 77 2.238 1.949 -0.191 1.00 1.15 H new ATOM 0 HG LEU A 77 1.988 3.882 -1.964 1.00 1.13 H new ATOM 0 HD11 LEU A 77 2.111 3.095 -4.294 1.00 1.12 H new ATOM 0 HD12 LEU A 77 3.713 3.147 -3.520 1.00 1.12 H new ATOM 0 HD13 LEU A 77 2.881 1.589 -3.740 1.00 1.12 H new ATOM 0 HD21 LEU A 77 0.092 2.581 -2.978 1.00 1.19 H new ATOM 0 HD22 LEU A 77 0.795 1.081 -2.329 1.00 1.19 H new ATOM 0 HD23 LEU A 77 0.187 2.332 -1.219 1.00 1.19 H new ATOM 1211 N LYS A 78 5.036 3.568 1.676 1.00 1.12 N ATOM 1212 CA LYS A 78 5.692 3.349 2.956 1.00 1.25 C ATOM 1213 C LYS A 78 4.761 3.596 4.156 1.00 1.14 C ATOM 1214 O LYS A 78 3.891 4.468 4.067 1.00 1.01 O ATOM 1215 CB LYS A 78 6.942 4.240 2.990 1.00 1.34 C ATOM 1216 CG LYS A 78 6.747 5.761 3.034 1.00 1.09 C ATOM 1217 CD LYS A 78 8.042 6.496 2.636 1.00 1.41 C ATOM 1218 CE LYS A 78 9.269 6.202 3.522 1.00 2.23 C ATOM 1219 NZ LYS A 78 9.989 4.944 3.177 1.00 3.70 N ATOM 0 H LYS A 78 4.991 4.556 1.425 1.00 1.12 H new ATOM 0 HA LYS A 78 5.976 2.301 3.047 1.00 1.25 H new ATOM 0 HB2 LYS A 78 7.531 3.954 3.862 1.00 1.34 H new ATOM 0 HB3 LYS A 78 7.541 4.006 2.110 1.00 1.34 H new ATOM 0 HG2 LYS A 78 5.940 6.047 2.359 1.00 1.09 H new ATOM 0 HG3 LYS A 78 6.446 6.064 4.037 1.00 1.09 H new ATOM 0 HD2 LYS A 78 8.287 6.233 1.607 1.00 1.41 H new ATOM 0 HD3 LYS A 78 7.851 7.569 2.654 1.00 1.41 H new ATOM 0 HE2 LYS A 78 9.965 7.037 3.446 1.00 2.23 H new ATOM 0 HE3 LYS A 78 8.947 6.149 4.562 1.00 2.23 H new ATOM 0 HZ1 LYS A 78 10.955 4.980 3.561 1.00 3.70 H new ATOM 0 HZ2 LYS A 78 9.484 4.132 3.586 1.00 3.70 H new ATOM 0 HZ3 LYS A 78 10.031 4.841 2.143 1.00 3.70 H new ATOM 1233 N PRO A 79 4.997 2.938 5.316 1.00 1.25 N ATOM 1234 CA PRO A 79 4.201 3.121 6.531 1.00 1.21 C ATOM 1235 C PRO A 79 4.006 4.584 6.927 1.00 1.21 C ATOM 1236 O PRO A 79 2.892 4.957 7.269 1.00 1.22 O ATOM 1237 CB PRO A 79 4.907 2.325 7.640 1.00 1.39 C ATOM 1238 CG PRO A 79 6.272 1.961 7.061 1.00 1.62 C ATOM 1239 CD PRO A 79 6.023 1.931 5.556 1.00 1.51 C ATOM 0 HA PRO A 79 3.188 2.757 6.357 1.00 1.21 H new ATOM 0 HB2 PRO A 79 5.010 2.920 8.548 1.00 1.39 H new ATOM 0 HB3 PRO A 79 4.341 1.432 7.906 1.00 1.39 H new ATOM 0 HG2 PRO A 79 7.031 2.697 7.328 1.00 1.62 H new ATOM 0 HG3 PRO A 79 6.620 0.996 7.430 1.00 1.62 H new ATOM 0 HD2 PRO A 79 6.934 2.158 5.002 1.00 1.51 H new ATOM 0 HD3 PRO A 79 5.690 0.945 5.232 1.00 1.51 H new ATOM 1247 N GLY A 80 5.044 5.426 6.821 1.00 1.35 N ATOM 1248 CA GLY A 80 4.957 6.870 7.067 1.00 1.30 C ATOM 1249 C GLY A 80 4.745 7.705 5.802 1.00 0.98 C ATOM 1250 O GLY A 80 5.388 8.742 5.668 1.00 1.02 O ATOM 0 H GLY A 80 5.980 5.117 6.558 1.00 1.35 H new ATOM 0 HA2 GLY A 80 4.136 7.062 7.758 1.00 1.30 H new ATOM 0 HA3 GLY A 80 5.872 7.200 7.559 1.00 1.30 H new ATOM 1254 N GLY A 81 3.902 7.253 4.863 1.00 1.22 N ATOM 1255 CA GLY A 81 3.560 7.997 3.640 1.00 0.82 C ATOM 1256 C GLY A 81 2.283 7.546 2.933 1.00 0.75 C ATOM 1257 O GLY A 81 1.352 8.329 2.805 1.00 0.82 O ATOM 0 H GLY A 81 3.432 6.350 4.931 1.00 1.22 H new ATOM 0 HA2 GLY A 81 3.461 9.053 3.893 1.00 0.82 H new ATOM 0 HA3 GLY A 81 4.391 7.913 2.940 1.00 0.82 H new ATOM 1261 N TYR A 82 2.222 6.296 2.480 1.00 0.68 N ATOM 1262 CA TYR A 82 1.099 5.720 1.713 1.00 0.60 C ATOM 1263 C TYR A 82 1.018 4.200 1.911 1.00 0.66 C ATOM 1264 O TYR A 82 2.043 3.538 2.029 1.00 0.77 O ATOM 1265 CB TYR A 82 1.225 6.047 0.218 1.00 0.58 C ATOM 1266 CG TYR A 82 1.412 7.513 -0.125 1.00 0.57 C ATOM 1267 CD1 TYR A 82 0.300 8.369 -0.246 1.00 1.83 C ATOM 1268 CD2 TYR A 82 2.714 8.018 -0.316 1.00 2.12 C ATOM 1269 CE1 TYR A 82 0.488 9.736 -0.530 1.00 1.76 C ATOM 1270 CE2 TYR A 82 2.910 9.382 -0.584 1.00 2.24 C ATOM 1271 CZ TYR A 82 1.797 10.247 -0.692 1.00 0.74 C ATOM 1272 OH TYR A 82 1.989 11.571 -0.937 1.00 0.86 O ATOM 0 H TYR A 82 2.975 5.626 2.638 1.00 0.68 H new ATOM 0 HA TYR A 82 0.181 6.170 2.091 1.00 0.60 H new ATOM 0 HB2 TYR A 82 2.069 5.488 -0.187 1.00 0.58 H new ATOM 0 HB3 TYR A 82 0.331 5.686 -0.290 1.00 0.58 H new ATOM 0 HD1 TYR A 82 -0.698 7.977 -0.121 1.00 1.83 H new ATOM 0 HD2 TYR A 82 3.563 7.354 -0.256 1.00 2.12 H new ATOM 0 HE1 TYR A 82 -0.365 10.392 -0.624 1.00 1.76 H new ATOM 0 HE2 TYR A 82 3.910 9.770 -0.708 1.00 2.24 H new ATOM 0 HH TYR A 82 2.948 11.752 -1.020 1.00 0.86 H new ATOM 1282 N HIS A 83 -0.175 3.614 1.921 1.00 0.65 N ATOM 1283 CA HIS A 83 -0.373 2.177 2.137 1.00 0.78 C ATOM 1284 C HIS A 83 -1.792 1.767 1.733 1.00 0.77 C ATOM 1285 O HIS A 83 -2.629 2.632 1.478 1.00 0.77 O ATOM 1286 CB HIS A 83 -0.083 1.834 3.612 1.00 0.86 C ATOM 1287 CG HIS A 83 -1.011 2.496 4.598 1.00 0.86 C ATOM 1288 ND1 HIS A 83 -0.863 3.751 5.149 1.00 0.88 N ATOM 1289 CD2 HIS A 83 -2.156 1.968 5.130 1.00 0.92 C ATOM 1290 CE1 HIS A 83 -1.891 3.964 5.980 1.00 0.95 C ATOM 1291 NE2 HIS A 83 -2.706 2.898 6.011 1.00 0.97 N ATOM 0 H HIS A 83 -1.045 4.127 1.778 1.00 0.65 H new ATOM 0 HA HIS A 83 0.320 1.615 1.511 1.00 0.78 H new ATOM 0 HB2 HIS A 83 -0.146 0.753 3.741 1.00 0.86 H new ATOM 0 HB3 HIS A 83 0.942 2.123 3.845 1.00 0.86 H new ATOM 0 HD1 HIS A 83 -0.103 4.404 4.957 1.00 0.88 H new ATOM 0 HD2 HIS A 83 -2.565 0.994 4.905 1.00 0.92 H new ATOM 0 HE1 HIS A 83 -2.044 4.870 6.548 1.00 0.95 H new ATOM 1299 N PHE A 84 -2.087 0.466 1.744 1.00 0.82 N ATOM 1300 CA PHE A 84 -3.455 -0.039 1.688 1.00 0.81 C ATOM 1301 C PHE A 84 -3.919 -0.419 3.089 1.00 0.78 C ATOM 1302 O PHE A 84 -3.233 -1.201 3.751 1.00 0.86 O ATOM 1303 CB PHE A 84 -3.537 -1.272 0.785 1.00 0.99 C ATOM 1304 CG PHE A 84 -3.091 -1.033 -0.634 1.00 0.81 C ATOM 1305 CD1 PHE A 84 -3.940 -0.338 -1.514 1.00 2.06 C ATOM 1306 CD2 PHE A 84 -1.830 -1.479 -1.071 1.00 1.54 C ATOM 1307 CE1 PHE A 84 -3.524 -0.095 -2.830 1.00 1.88 C ATOM 1308 CE2 PHE A 84 -1.413 -1.220 -2.388 1.00 1.66 C ATOM 1309 CZ PHE A 84 -2.254 -0.512 -3.259 1.00 0.61 C ATOM 0 H PHE A 84 -1.380 -0.267 1.792 1.00 0.82 H new ATOM 0 HA PHE A 84 -4.095 0.744 1.282 1.00 0.81 H new ATOM 0 HB2 PHE A 84 -2.926 -2.065 1.217 1.00 0.99 H new ATOM 0 HB3 PHE A 84 -4.566 -1.632 0.774 1.00 0.99 H new ATOM 0 HD1 PHE A 84 -4.907 0.006 -1.178 1.00 2.06 H new ATOM 0 HD2 PHE A 84 -1.184 -2.020 -0.395 1.00 1.54 H new ATOM 0 HE1 PHE A 84 -4.183 0.415 -3.517 1.00 1.88 H new ATOM 0 HE2 PHE A 84 -0.448 -1.565 -2.728 1.00 1.66 H new ATOM 0 HZ PHE A 84 -1.924 -0.287 -4.262 1.00 0.61 H new ATOM 1319 N MET A 85 -5.086 0.058 3.518 1.00 0.69 N ATOM 1320 CA MET A 85 -5.800 -0.501 4.665 1.00 0.64 C ATOM 1321 C MET A 85 -6.550 -1.756 4.233 1.00 0.65 C ATOM 1322 O MET A 85 -7.357 -1.712 3.305 1.00 0.78 O ATOM 1323 CB MET A 85 -6.735 0.549 5.294 1.00 0.65 C ATOM 1324 CG MET A 85 -6.094 1.227 6.509 1.00 0.68 C ATOM 1325 SD MET A 85 -5.775 0.110 7.904 1.00 0.91 S ATOM 1326 CE MET A 85 -3.970 0.033 7.801 1.00 0.62 C ATOM 0 H MET A 85 -5.564 0.845 3.079 1.00 0.69 H new ATOM 0 HA MET A 85 -5.085 -0.783 5.438 1.00 0.64 H new ATOM 0 HB2 MET A 85 -6.988 1.303 4.549 1.00 0.65 H new ATOM 0 HB3 MET A 85 -7.668 0.072 5.594 1.00 0.65 H new ATOM 0 HG2 MET A 85 -5.153 1.684 6.202 1.00 0.68 H new ATOM 0 HG3 MET A 85 -6.745 2.034 6.846 1.00 0.68 H new ATOM 0 HE1 MET A 85 -3.626 -0.935 8.165 1.00 0.62 H new ATOM 0 HE2 MET A 85 -3.659 0.162 6.764 1.00 0.62 H new ATOM 0 HE3 MET A 85 -3.537 0.825 8.411 1.00 0.62 H new ATOM 1336 N LEU A 86 -6.239 -2.879 4.887 1.00 0.58 N ATOM 1337 CA LEU A 86 -6.772 -4.207 4.589 1.00 0.55 C ATOM 1338 C LEU A 86 -7.757 -4.621 5.684 1.00 0.47 C ATOM 1339 O LEU A 86 -7.378 -5.255 6.670 1.00 0.83 O ATOM 1340 CB LEU A 86 -5.614 -5.218 4.469 1.00 0.70 C ATOM 1341 CG LEU A 86 -4.602 -4.981 3.330 1.00 0.94 C ATOM 1342 CD1 LEU A 86 -3.689 -6.215 3.238 1.00 1.51 C ATOM 1343 CD2 LEU A 86 -5.272 -4.725 1.971 1.00 1.53 C ATOM 0 H LEU A 86 -5.583 -2.886 5.668 1.00 0.58 H new ATOM 0 HA LEU A 86 -7.305 -4.187 3.638 1.00 0.55 H new ATOM 0 HB2 LEU A 86 -5.069 -5.224 5.413 1.00 0.70 H new ATOM 0 HB3 LEU A 86 -6.042 -6.212 4.342 1.00 0.70 H new ATOM 0 HG LEU A 86 -4.034 -4.081 3.564 1.00 0.94 H new ATOM 0 HD11 LEU A 86 -2.963 -6.072 2.438 1.00 1.51 H new ATOM 0 HD12 LEU A 86 -3.165 -6.351 4.184 1.00 1.51 H new ATOM 0 HD13 LEU A 86 -4.292 -7.098 3.027 1.00 1.51 H new ATOM 0 HD21 LEU A 86 -4.506 -4.566 1.212 1.00 1.53 H new ATOM 0 HD22 LEU A 86 -5.881 -5.587 1.697 1.00 1.53 H new ATOM 0 HD23 LEU A 86 -5.905 -3.840 2.038 1.00 1.53 H new ATOM 1355 N LEU A 87 -9.021 -4.224 5.538 1.00 0.88 N ATOM 1356 CA LEU A 87 -10.093 -4.536 6.488 1.00 0.85 C ATOM 1357 C LEU A 87 -10.684 -5.916 6.164 1.00 0.85 C ATOM 1358 O LEU A 87 -10.849 -6.265 4.992 1.00 1.00 O ATOM 1359 CB LEU A 87 -11.182 -3.440 6.429 1.00 0.90 C ATOM 1360 CG LEU A 87 -10.875 -2.048 7.029 1.00 1.17 C ATOM 1361 CD1 LEU A 87 -10.855 -2.066 8.559 1.00 1.55 C ATOM 1362 CD2 LEU A 87 -9.560 -1.435 6.548 1.00 2.87 C ATOM 0 H LEU A 87 -9.336 -3.667 4.744 1.00 0.88 H new ATOM 0 HA LEU A 87 -9.689 -4.562 7.500 1.00 0.85 H new ATOM 0 HB2 LEU A 87 -11.448 -3.296 5.382 1.00 0.90 H new ATOM 0 HB3 LEU A 87 -12.067 -3.828 6.933 1.00 0.90 H new ATOM 0 HG LEU A 87 -11.695 -1.427 6.668 1.00 1.17 H new ATOM 0 HD11 LEU A 87 -10.635 -1.066 8.932 1.00 1.55 H new ATOM 0 HD12 LEU A 87 -11.828 -2.387 8.932 1.00 1.55 H new ATOM 0 HD13 LEU A 87 -10.088 -2.759 8.905 1.00 1.55 H new ATOM 0 HD21 LEU A 87 -9.420 -0.460 7.016 1.00 2.87 H new ATOM 0 HD22 LEU A 87 -8.732 -2.090 6.820 1.00 2.87 H new ATOM 0 HD23 LEU A 87 -9.588 -1.317 5.465 1.00 2.87 H new ATOM 1374 N GLY A 88 -11.033 -6.690 7.203 1.00 0.88 N ATOM 1375 CA GLY A 88 -11.712 -7.984 7.067 1.00 1.00 C ATOM 1376 C GLY A 88 -10.781 -9.065 6.523 1.00 1.00 C ATOM 1377 O GLY A 88 -11.020 -9.593 5.438 1.00 1.45 O ATOM 0 H GLY A 88 -10.849 -6.430 8.172 1.00 0.88 H new ATOM 0 HA2 GLY A 88 -12.099 -8.294 8.038 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -12.569 -7.876 6.402 1.00 1.00 H new ATOM 1381 N LEU A 89 -9.690 -9.353 7.242 1.00 0.96 N ATOM 1382 CA LEU A 89 -8.630 -10.262 6.790 1.00 0.91 C ATOM 1383 C LEU A 89 -9.123 -11.708 6.605 1.00 0.97 C ATOM 1384 O LEU A 89 -9.635 -12.337 7.527 1.00 1.08 O ATOM 1385 CB LEU A 89 -7.425 -10.186 7.746 1.00 0.91 C ATOM 1386 CG LEU A 89 -6.667 -8.841 7.716 1.00 0.92 C ATOM 1387 CD1 LEU A 89 -5.632 -8.835 8.844 1.00 1.06 C ATOM 1388 CD2 LEU A 89 -5.959 -8.575 6.379 1.00 1.00 C ATOM 0 H LEU A 89 -9.516 -8.956 8.166 1.00 0.96 H new ATOM 0 HA LEU A 89 -8.312 -9.931 5.801 1.00 0.91 H new ATOM 0 HB2 LEU A 89 -7.772 -10.370 8.763 1.00 0.91 H new ATOM 0 HB3 LEU A 89 -6.729 -10.987 7.497 1.00 0.91 H new ATOM 0 HG LEU A 89 -7.404 -8.049 7.846 1.00 0.92 H new ATOM 0 HD11 LEU A 89 -5.089 -7.890 8.834 1.00 1.06 H new ATOM 0 HD12 LEU A 89 -6.138 -8.953 9.802 1.00 1.06 H new ATOM 0 HD13 LEU A 89 -4.932 -9.658 8.699 1.00 1.06 H new ATOM 0 HD21 LEU A 89 -5.446 -7.615 6.424 1.00 1.00 H new ATOM 0 HD22 LEU A 89 -5.234 -9.366 6.188 1.00 1.00 H new ATOM 0 HD23 LEU A 89 -6.695 -8.556 5.575 1.00 1.00 H new ATOM 1400 N LYS A 90 -8.918 -12.264 5.407 1.00 1.01 N ATOM 1401 CA LYS A 90 -9.290 -13.644 5.049 1.00 1.03 C ATOM 1402 C LYS A 90 -8.266 -14.703 5.520 1.00 1.06 C ATOM 1403 O LYS A 90 -8.437 -15.892 5.249 1.00 1.15 O ATOM 1404 CB LYS A 90 -9.529 -13.723 3.524 1.00 1.18 C ATOM 1405 CG LYS A 90 -10.521 -12.694 2.949 1.00 1.23 C ATOM 1406 CD LYS A 90 -11.912 -12.735 3.603 1.00 2.79 C ATOM 1407 CE LYS A 90 -12.818 -11.632 3.045 1.00 2.94 C ATOM 1408 NZ LYS A 90 -13.422 -11.939 1.727 1.00 2.28 N ATOM 0 H LYS A 90 -8.478 -11.758 4.638 1.00 1.01 H new ATOM 0 HA LYS A 90 -10.210 -13.887 5.581 1.00 1.03 H new ATOM 0 HB2 LYS A 90 -8.572 -13.599 3.018 1.00 1.18 H new ATOM 0 HB3 LYS A 90 -9.890 -14.723 3.283 1.00 1.18 H new ATOM 0 HG2 LYS A 90 -10.103 -11.695 3.070 1.00 1.23 H new ATOM 0 HG3 LYS A 90 -10.629 -12.867 1.878 1.00 1.23 H new ATOM 0 HD2 LYS A 90 -12.370 -13.709 3.429 1.00 2.79 H new ATOM 0 HD3 LYS A 90 -11.813 -12.617 4.682 1.00 2.79 H new ATOM 0 HE2 LYS A 90 -13.617 -11.440 3.761 1.00 2.94 H new ATOM 0 HE3 LYS A 90 -12.239 -10.713 2.959 1.00 2.94 H new ATOM 0 HZ1 LYS A 90 -13.462 -11.072 1.153 1.00 2.28 H new ATOM 0 HZ2 LYS A 90 -12.844 -12.652 1.238 1.00 2.28 H new ATOM 0 HZ3 LYS A 90 -14.384 -12.309 1.864 1.00 2.28 H new ATOM 1422 N ARG A 91 -7.185 -14.268 6.181 1.00 1.16 N ATOM 1423 CA ARG A 91 -6.092 -15.052 6.783 1.00 1.25 C ATOM 1424 C ARG A 91 -5.083 -14.097 7.455 1.00 1.34 C ATOM 1425 O ARG A 91 -4.929 -12.974 6.969 1.00 1.36 O ATOM 1426 CB ARG A 91 -5.385 -15.979 5.765 1.00 1.43 C ATOM 1427 CG ARG A 91 -4.833 -15.258 4.518 1.00 2.08 C ATOM 1428 CD ARG A 91 -5.539 -15.665 3.217 1.00 3.09 C ATOM 1429 NE ARG A 91 -5.040 -16.935 2.676 1.00 3.21 N ATOM 1430 CZ ARG A 91 -5.417 -17.470 1.522 1.00 4.57 C ATOM 1431 NH1 ARG A 91 -6.402 -16.971 0.802 1.00 6.04 N ATOM 1432 NH2 ARG A 91 -4.783 -18.526 1.064 1.00 4.95 N ATOM 0 H ARG A 91 -7.038 -13.269 6.322 1.00 1.16 H new ATOM 0 HA ARG A 91 -6.531 -15.709 7.534 1.00 1.25 H new ATOM 0 HB2 ARG A 91 -4.563 -16.489 6.267 1.00 1.43 H new ATOM 0 HB3 ARG A 91 -6.088 -16.747 5.443 1.00 1.43 H new ATOM 0 HG2 ARG A 91 -4.933 -14.181 4.656 1.00 2.08 H new ATOM 0 HG3 ARG A 91 -3.768 -15.470 4.426 1.00 2.08 H new ATOM 0 HD2 ARG A 91 -6.610 -15.749 3.400 1.00 3.09 H new ATOM 0 HD3 ARG A 91 -5.403 -14.880 2.474 1.00 3.09 H new ATOM 0 HE ARG A 91 -4.351 -17.445 3.229 1.00 3.21 H new ATOM 0 HH11 ARG A 91 -6.904 -16.145 1.127 1.00 6.04 H new ATOM 0 HH12 ARG A 91 -6.662 -17.411 -0.081 1.00 6.04 H new ATOM 0 HH21 ARG A 91 -4.009 -18.926 1.595 1.00 4.95 H new ATOM 0 HH22 ARG A 91 -5.065 -18.945 0.178 1.00 4.95 H new ATOM 1446 N PRO A 92 -4.381 -14.516 8.525 1.00 1.58 N ATOM 1447 CA PRO A 92 -3.310 -13.726 9.116 1.00 1.81 C ATOM 1448 C PRO A 92 -2.116 -13.651 8.158 1.00 2.04 C ATOM 1449 O PRO A 92 -1.858 -14.577 7.387 1.00 2.35 O ATOM 1450 CB PRO A 92 -2.947 -14.426 10.428 1.00 2.13 C ATOM 1451 CG PRO A 92 -3.292 -15.887 10.145 1.00 2.15 C ATOM 1452 CD PRO A 92 -4.517 -15.784 9.233 1.00 1.77 C ATOM 0 HA PRO A 92 -3.614 -12.696 9.304 1.00 1.81 H new ATOM 0 HB2 PRO A 92 -1.893 -14.301 10.674 1.00 2.13 H new ATOM 0 HB3 PRO A 92 -3.519 -14.032 11.268 1.00 2.13 H new ATOM 0 HG2 PRO A 92 -2.469 -16.408 9.657 1.00 2.15 H new ATOM 0 HG3 PRO A 92 -3.516 -16.433 11.061 1.00 2.15 H new ATOM 0 HD2 PRO A 92 -4.555 -16.620 8.534 1.00 1.77 H new ATOM 0 HD3 PRO A 92 -5.439 -15.811 9.813 1.00 1.77 H new ATOM 1460 N LEU A 93 -1.380 -12.541 8.234 1.00 2.04 N ATOM 1461 CA LEU A 93 -0.186 -12.291 7.436 1.00 2.23 C ATOM 1462 C LEU A 93 0.975 -13.033 8.102 1.00 2.32 C ATOM 1463 O LEU A 93 1.408 -12.652 9.189 1.00 2.52 O ATOM 1464 CB LEU A 93 0.083 -10.771 7.364 1.00 2.14 C ATOM 1465 CG LEU A 93 -1.012 -9.848 6.787 1.00 2.16 C ATOM 1466 CD1 LEU A 93 -1.592 -10.394 5.483 1.00 2.20 C ATOM 1467 CD2 LEU A 93 -2.150 -9.531 7.769 1.00 2.42 C ATOM 0 H LEU A 93 -1.606 -11.775 8.868 1.00 2.04 H new ATOM 0 HA LEU A 93 -0.310 -12.648 6.414 1.00 2.23 H new ATOM 0 HB2 LEU A 93 0.306 -10.427 8.374 1.00 2.14 H new ATOM 0 HB3 LEU A 93 0.985 -10.623 6.771 1.00 2.14 H new ATOM 0 HG LEU A 93 -0.496 -8.909 6.587 1.00 2.16 H new ATOM 0 HD11 LEU A 93 -2.358 -9.713 5.113 1.00 2.20 H new ATOM 0 HD12 LEU A 93 -0.798 -10.485 4.742 1.00 2.20 H new ATOM 0 HD13 LEU A 93 -2.034 -11.374 5.663 1.00 2.20 H new ATOM 0 HD21 LEU A 93 -2.876 -8.878 7.286 1.00 2.42 H new ATOM 0 HD22 LEU A 93 -2.639 -10.457 8.070 1.00 2.42 H new ATOM 0 HD23 LEU A 93 -1.743 -9.033 8.649 1.00 2.42 H new ATOM 1479 N LYS A 94 1.479 -14.115 7.508 1.00 2.30 N ATOM 1480 CA LYS A 94 2.430 -14.977 8.190 1.00 2.23 C ATOM 1481 C LYS A 94 3.875 -14.562 7.890 1.00 2.06 C ATOM 1482 O LYS A 94 4.320 -14.633 6.748 1.00 2.45 O ATOM 1483 CB LYS A 94 2.136 -16.401 7.722 1.00 2.57 C ATOM 1484 CG LYS A 94 1.194 -17.192 8.635 1.00 2.63 C ATOM 1485 CD LYS A 94 2.016 -17.956 9.683 1.00 2.30 C ATOM 1486 CE LYS A 94 2.385 -19.399 9.280 1.00 2.78 C ATOM 1487 NZ LYS A 94 3.046 -19.525 7.954 1.00 3.47 N ATOM 0 H LYS A 94 1.243 -14.410 6.561 1.00 2.30 H new ATOM 0 HA LYS A 94 2.323 -14.901 9.272 1.00 2.23 H new ATOM 0 HB2 LYS A 94 1.701 -16.358 6.723 1.00 2.57 H new ATOM 0 HB3 LYS A 94 3.078 -16.943 7.637 1.00 2.57 H new ATOM 0 HG2 LYS A 94 0.496 -16.516 9.128 1.00 2.63 H new ATOM 0 HG3 LYS A 94 0.600 -17.889 8.045 1.00 2.63 H new ATOM 0 HD2 LYS A 94 2.933 -17.402 9.881 1.00 2.30 H new ATOM 0 HD3 LYS A 94 1.454 -17.986 10.616 1.00 2.30 H new ATOM 0 HE2 LYS A 94 3.045 -19.817 10.041 1.00 2.78 H new ATOM 0 HE3 LYS A 94 1.478 -20.004 9.278 1.00 2.78 H new ATOM 0 HZ1 LYS A 94 3.409 -20.493 7.838 1.00 3.47 H new ATOM 0 HZ2 LYS A 94 2.357 -19.321 7.202 1.00 3.47 H new ATOM 0 HZ3 LYS A 94 3.835 -18.850 7.894 1.00 3.47 H new ATOM 1501 N ALA A 95 4.635 -14.195 8.926 1.00 1.71 N ATOM 1502 CA ALA A 95 6.090 -14.162 8.824 1.00 1.50 C ATOM 1503 C ALA A 95 6.571 -15.572 8.420 1.00 1.26 C ATOM 1504 O ALA A 95 6.360 -16.528 9.171 1.00 1.24 O ATOM 1505 CB ALA A 95 6.674 -13.672 10.154 1.00 1.51 C ATOM 0 H ALA A 95 4.267 -13.919 9.836 1.00 1.71 H new ATOM 0 HA ALA A 95 6.435 -13.465 8.060 1.00 1.50 H new ATOM 0 HB1 ALA A 95 7.762 -13.645 10.086 1.00 1.51 H new ATOM 0 HB2 ALA A 95 6.299 -12.672 10.370 1.00 1.51 H new ATOM 0 HB3 ALA A 95 6.378 -14.351 10.954 1.00 1.51 H new ATOM 1511 N GLY A 96 7.131 -15.684 7.210 1.00 1.46 N ATOM 1512 CA GLY A 96 7.367 -16.964 6.536 1.00 1.64 C ATOM 1513 C GLY A 96 6.895 -17.040 5.080 1.00 1.70 C ATOM 1514 O GLY A 96 7.409 -17.904 4.376 1.00 2.23 O ATOM 0 H GLY A 96 7.437 -14.878 6.665 1.00 1.46 H new ATOM 0 HA2 GLY A 96 8.435 -17.178 6.565 1.00 1.64 H new ATOM 0 HA3 GLY A 96 6.869 -17.750 7.103 1.00 1.64 H new ATOM 1518 N GLU A 97 5.997 -16.161 4.606 1.00 1.61 N ATOM 1519 CA GLU A 97 5.478 -16.214 3.240 1.00 1.83 C ATOM 1520 C GLU A 97 5.349 -14.839 2.568 1.00 1.42 C ATOM 1521 O GLU A 97 5.301 -13.787 3.213 1.00 1.12 O ATOM 1522 CB GLU A 97 4.145 -16.976 3.184 1.00 2.28 C ATOM 1523 CG GLU A 97 3.180 -16.836 4.347 1.00 2.02 C ATOM 1524 CD GLU A 97 3.233 -18.021 5.311 1.00 2.51 C ATOM 1525 OE1 GLU A 97 4.265 -18.252 5.982 1.00 3.86 O ATOM 1526 OE2 GLU A 97 2.175 -18.654 5.545 1.00 2.66 O ATOM 0 H GLU A 97 5.614 -15.397 5.162 1.00 1.61 H new ATOM 0 HA GLU A 97 6.225 -16.759 2.664 1.00 1.83 H new ATOM 0 HB2 GLU A 97 3.622 -16.663 2.280 1.00 2.28 H new ATOM 0 HB3 GLU A 97 4.374 -18.036 3.069 1.00 2.28 H new ATOM 0 HG2 GLU A 97 3.407 -15.920 4.893 1.00 2.02 H new ATOM 0 HG3 GLU A 97 2.166 -16.734 3.961 1.00 2.02 H new ATOM 1533 N GLU A 98 5.246 -14.885 1.240 1.00 1.77 N ATOM 1534 CA GLU A 98 4.791 -13.809 0.375 1.00 1.51 C ATOM 1535 C GLU A 98 3.262 -13.707 0.362 1.00 1.13 C ATOM 1536 O GLU A 98 2.536 -14.682 0.185 1.00 1.41 O ATOM 1537 CB GLU A 98 5.266 -14.011 -1.077 1.00 1.98 C ATOM 1538 CG GLU A 98 6.746 -13.682 -1.329 1.00 2.98 C ATOM 1539 CD GLU A 98 7.727 -14.579 -0.574 1.00 3.15 C ATOM 1540 OE1 GLU A 98 7.446 -15.796 -0.485 1.00 3.34 O ATOM 1541 OE2 GLU A 98 8.728 -14.014 -0.084 1.00 4.39 O ATOM 0 H GLU A 98 5.493 -15.724 0.714 1.00 1.77 H new ATOM 0 HA GLU A 98 5.220 -12.892 0.780 1.00 1.51 H new ATOM 0 HB2 GLU A 98 5.087 -15.048 -1.361 1.00 1.98 H new ATOM 0 HB3 GLU A 98 4.655 -13.391 -1.733 1.00 1.98 H new ATOM 0 HG2 GLU A 98 6.947 -13.762 -2.397 1.00 2.98 H new ATOM 0 HG3 GLU A 98 6.929 -12.645 -1.047 1.00 2.98 H new ATOM 1548 N VAL A 99 2.777 -12.473 0.429 1.00 0.88 N ATOM 1549 CA VAL A 99 1.423 -12.083 0.042 1.00 0.74 C ATOM 1550 C VAL A 99 1.377 -11.836 -1.464 1.00 0.67 C ATOM 1551 O VAL A 99 2.127 -11.012 -1.991 1.00 0.73 O ATOM 1552 CB VAL A 99 0.991 -10.828 0.829 1.00 0.77 C ATOM 1553 CG1 VAL A 99 -0.218 -10.097 0.202 1.00 0.77 C ATOM 1554 CG2 VAL A 99 0.699 -11.281 2.272 1.00 0.83 C ATOM 0 H VAL A 99 3.334 -11.688 0.766 1.00 0.88 H new ATOM 0 HA VAL A 99 0.725 -12.885 0.282 1.00 0.74 H new ATOM 0 HB VAL A 99 1.794 -10.091 0.804 1.00 0.77 H new ATOM 0 HG11 VAL A 99 -0.469 -9.225 0.805 1.00 0.77 H new ATOM 0 HG12 VAL A 99 0.034 -9.778 -0.809 1.00 0.77 H new ATOM 0 HG13 VAL A 99 -1.073 -10.772 0.167 1.00 0.77 H new ATOM 0 HG21 VAL A 99 0.389 -10.422 2.867 1.00 0.83 H new ATOM 0 HG22 VAL A 99 -0.098 -12.025 2.266 1.00 0.83 H new ATOM 0 HG23 VAL A 99 1.599 -11.717 2.706 1.00 0.83 H new ATOM 1564 N GLU A 100 0.434 -12.499 -2.136 1.00 0.69 N ATOM 1565 CA GLU A 100 0.017 -12.116 -3.486 1.00 0.74 C ATOM 1566 C GLU A 100 -0.782 -10.808 -3.449 1.00 0.68 C ATOM 1567 O GLU A 100 -1.618 -10.593 -2.559 1.00 0.87 O ATOM 1568 CB GLU A 100 -0.878 -13.173 -4.138 1.00 1.02 C ATOM 1569 CG GLU A 100 -0.234 -14.534 -4.420 1.00 1.27 C ATOM 1570 CD GLU A 100 -1.118 -15.295 -5.408 1.00 2.05 C ATOM 1571 OE1 GLU A 100 -2.361 -15.254 -5.262 1.00 3.16 O ATOM 1572 OE2 GLU A 100 -0.607 -15.744 -6.456 1.00 2.43 O ATOM 0 H GLU A 100 -0.059 -13.311 -1.763 1.00 0.69 H new ATOM 0 HA GLU A 100 0.933 -12.006 -4.067 1.00 0.74 H new ATOM 0 HB2 GLU A 100 -1.743 -13.332 -3.494 1.00 1.02 H new ATOM 0 HB3 GLU A 100 -1.251 -12.770 -5.080 1.00 1.02 H new ATOM 0 HG2 GLU A 100 0.766 -14.401 -4.832 1.00 1.27 H new ATOM 0 HG3 GLU A 100 -0.126 -15.100 -3.495 1.00 1.27 H new ATOM 1579 N LEU A 101 -0.560 -9.952 -4.449 1.00 0.65 N ATOM 1580 CA LEU A 101 -1.190 -8.643 -4.555 1.00 0.59 C ATOM 1581 C LEU A 101 -1.232 -8.133 -6.001 1.00 0.59 C ATOM 1582 O LEU A 101 -0.199 -7.973 -6.645 1.00 0.65 O ATOM 1583 CB LEU A 101 -0.445 -7.677 -3.614 1.00 0.65 C ATOM 1584 CG LEU A 101 -1.256 -7.243 -2.396 1.00 0.94 C ATOM 1585 CD1 LEU A 101 -0.357 -6.431 -1.485 1.00 1.38 C ATOM 1586 CD2 LEU A 101 -2.440 -6.339 -2.772 1.00 1.32 C ATOM 0 H LEU A 101 0.075 -10.157 -5.220 1.00 0.65 H new ATOM 0 HA LEU A 101 -2.234 -8.714 -4.251 1.00 0.59 H new ATOM 0 HB2 LEU A 101 0.474 -8.155 -3.274 1.00 0.65 H new ATOM 0 HB3 LEU A 101 -0.154 -6.791 -4.177 1.00 0.65 H new ATOM 0 HG LEU A 101 -1.637 -8.147 -1.921 1.00 0.94 H new ATOM 0 HD11 LEU A 101 -0.920 -6.112 -0.608 1.00 1.38 H new ATOM 0 HD12 LEU A 101 0.489 -7.042 -1.170 1.00 1.38 H new ATOM 0 HD13 LEU A 101 0.008 -5.555 -2.021 1.00 1.38 H new ATOM 0 HD21 LEU A 101 -2.984 -6.058 -1.870 1.00 1.32 H new ATOM 0 HD22 LEU A 101 -2.069 -5.441 -3.266 1.00 1.32 H new ATOM 0 HD23 LEU A 101 -3.107 -6.875 -3.446 1.00 1.32 H new ATOM 1598 N ASP A 102 -2.437 -7.859 -6.491 1.00 0.58 N ATOM 1599 CA ASP A 102 -2.766 -7.380 -7.833 1.00 0.58 C ATOM 1600 C ASP A 102 -3.071 -5.872 -7.813 1.00 0.64 C ATOM 1601 O ASP A 102 -4.150 -5.442 -7.405 1.00 0.78 O ATOM 1602 CB ASP A 102 -3.937 -8.211 -8.387 1.00 0.73 C ATOM 1603 CG ASP A 102 -3.442 -9.458 -9.125 1.00 1.06 C ATOM 1604 OD1 ASP A 102 -3.243 -10.498 -8.455 1.00 1.79 O ATOM 1605 OD2 ASP A 102 -3.242 -9.353 -10.356 1.00 2.22 O ATOM 0 H ASP A 102 -3.273 -7.974 -5.919 1.00 0.58 H new ATOM 0 HA ASP A 102 -1.912 -7.511 -8.497 1.00 0.58 H new ATOM 0 HB2 ASP A 102 -4.593 -8.508 -7.569 1.00 0.73 H new ATOM 0 HB3 ASP A 102 -4.531 -7.598 -9.065 1.00 0.73 H new ATOM 1610 N LEU A 103 -2.095 -5.060 -8.233 1.00 0.62 N ATOM 1611 CA LEU A 103 -2.099 -3.600 -8.162 1.00 0.57 C ATOM 1612 C LEU A 103 -3.002 -3.021 -9.258 1.00 0.55 C ATOM 1613 O LEU A 103 -2.704 -3.181 -10.442 1.00 0.60 O ATOM 1614 CB LEU A 103 -0.645 -3.109 -8.332 1.00 0.60 C ATOM 1615 CG LEU A 103 0.396 -3.703 -7.356 1.00 0.77 C ATOM 1616 CD1 LEU A 103 1.787 -3.152 -7.704 1.00 1.07 C ATOM 1617 CD2 LEU A 103 0.059 -3.403 -5.889 1.00 1.04 C ATOM 0 H LEU A 103 -1.239 -5.424 -8.652 1.00 0.62 H new ATOM 0 HA LEU A 103 -2.490 -3.266 -7.201 1.00 0.57 H new ATOM 0 HB2 LEU A 103 -0.325 -3.331 -9.350 1.00 0.60 H new ATOM 0 HB3 LEU A 103 -0.635 -2.024 -8.224 1.00 0.60 H new ATOM 0 HG LEU A 103 0.382 -4.787 -7.469 1.00 0.77 H new ATOM 0 HD11 LEU A 103 2.525 -3.568 -7.018 1.00 1.07 H new ATOM 0 HD12 LEU A 103 2.044 -3.431 -8.726 1.00 1.07 H new ATOM 0 HD13 LEU A 103 1.781 -2.066 -7.615 1.00 1.07 H new ATOM 0 HD21 LEU A 103 0.820 -3.842 -5.244 1.00 1.04 H new ATOM 0 HD22 LEU A 103 0.031 -2.324 -5.735 1.00 1.04 H new ATOM 0 HD23 LEU A 103 -0.914 -3.830 -5.644 1.00 1.04 H new ATOM 1629 N LEU A 104 -4.093 -2.344 -8.884 1.00 0.55 N ATOM 1630 CA LEU A 104 -5.091 -1.822 -9.821 1.00 0.54 C ATOM 1631 C LEU A 104 -4.670 -0.453 -10.346 1.00 0.49 C ATOM 1632 O LEU A 104 -4.499 0.496 -9.576 1.00 0.48 O ATOM 1633 CB LEU A 104 -6.482 -1.694 -9.167 1.00 0.56 C ATOM 1634 CG LEU A 104 -7.003 -2.922 -8.414 1.00 0.63 C ATOM 1635 CD1 LEU A 104 -8.439 -2.656 -7.942 1.00 0.70 C ATOM 1636 CD2 LEU A 104 -6.950 -4.204 -9.262 1.00 0.67 C ATOM 0 H LEU A 104 -4.310 -2.141 -7.908 1.00 0.55 H new ATOM 0 HA LEU A 104 -5.154 -2.535 -10.643 1.00 0.54 H new ATOM 0 HB2 LEU A 104 -6.456 -0.855 -8.472 1.00 0.56 H new ATOM 0 HB3 LEU A 104 -7.202 -1.441 -9.945 1.00 0.56 H new ATOM 0 HG LEU A 104 -6.349 -3.087 -7.557 1.00 0.63 H new ATOM 0 HD11 LEU A 104 -8.813 -3.528 -7.406 1.00 0.70 H new ATOM 0 HD12 LEU A 104 -8.450 -1.790 -7.280 1.00 0.70 H new ATOM 0 HD13 LEU A 104 -9.075 -2.460 -8.805 1.00 0.70 H new ATOM 0 HD21 LEU A 104 -7.331 -5.042 -8.679 1.00 0.67 H new ATOM 0 HD22 LEU A 104 -7.562 -4.075 -10.155 1.00 0.67 H new ATOM 0 HD23 LEU A 104 -5.919 -4.404 -9.555 1.00 0.67 H new ATOM 1648 N PHE A 105 -4.591 -0.314 -11.663 1.00 0.50 N ATOM 1649 CA PHE A 105 -4.228 0.939 -12.314 1.00 0.53 C ATOM 1650 C PHE A 105 -5.325 1.417 -13.273 1.00 0.60 C ATOM 1651 O PHE A 105 -5.730 0.695 -14.186 1.00 0.81 O ATOM 1652 CB PHE A 105 -2.930 0.755 -13.095 1.00 0.59 C ATOM 1653 CG PHE A 105 -1.718 0.284 -12.324 1.00 0.60 C ATOM 1654 CD1 PHE A 105 -0.928 1.224 -11.642 1.00 1.51 C ATOM 1655 CD2 PHE A 105 -1.339 -1.075 -12.338 1.00 1.92 C ATOM 1656 CE1 PHE A 105 0.239 0.821 -10.976 1.00 1.46 C ATOM 1657 CE2 PHE A 105 -0.173 -1.480 -11.667 1.00 2.02 C ATOM 1658 CZ PHE A 105 0.615 -0.537 -10.983 1.00 0.80 C ATOM 0 H PHE A 105 -4.779 -1.075 -12.316 1.00 0.50 H new ATOM 0 HA PHE A 105 -4.100 1.692 -11.536 1.00 0.53 H new ATOM 0 HB2 PHE A 105 -3.117 0.042 -13.898 1.00 0.59 H new ATOM 0 HB3 PHE A 105 -2.682 1.706 -13.566 1.00 0.59 H new ATOM 0 HD1 PHE A 105 -1.221 2.263 -11.630 1.00 1.51 H new ATOM 0 HD2 PHE A 105 -1.943 -1.801 -12.862 1.00 1.92 H new ATOM 0 HE1 PHE A 105 0.847 1.549 -10.460 1.00 1.46 H new ATOM 0 HE2 PHE A 105 0.119 -2.520 -11.676 1.00 2.02 H new ATOM 0 HZ PHE A 105 1.507 -0.853 -10.464 1.00 0.80 H new ATOM 1668 N ALA A 106 -5.767 2.663 -13.075 1.00 0.66 N ATOM 1669 CA ALA A 106 -6.722 3.379 -13.932 1.00 0.71 C ATOM 1670 C ALA A 106 -8.046 2.626 -14.228 1.00 1.86 C ATOM 1671 O ALA A 106 -8.727 2.953 -15.194 1.00 2.83 O ATOM 1672 CB ALA A 106 -5.980 3.833 -15.199 1.00 1.61 C ATOM 0 H ALA A 106 -5.458 3.224 -12.282 1.00 0.66 H new ATOM 0 HA ALA A 106 -7.080 4.247 -13.378 1.00 0.71 H new ATOM 0 HB1 ALA A 106 -6.669 4.368 -15.852 1.00 1.61 H new ATOM 0 HB2 ALA A 106 -5.157 4.492 -14.922 1.00 1.61 H new ATOM 0 HB3 ALA A 106 -5.587 2.961 -15.722 1.00 1.61 H new ATOM 1678 N GLY A 107 -8.400 1.615 -13.422 1.00 2.51 N ATOM 1679 CA GLY A 107 -9.640 0.830 -13.536 1.00 3.83 C ATOM 1680 C GLY A 107 -9.586 -0.382 -14.476 1.00 3.61 C ATOM 1681 O GLY A 107 -10.517 -1.181 -14.445 1.00 4.88 O ATOM 0 H GLY A 107 -7.812 1.310 -12.646 1.00 2.51 H new ATOM 0 HA2 GLY A 107 -9.918 0.481 -12.542 1.00 3.83 H new ATOM 0 HA3 GLY A 107 -10.436 1.493 -13.876 1.00 3.83 H new ATOM 1685 N GLY A 108 -8.526 -0.540 -15.286 1.00 2.43 N ATOM 1686 CA GLY A 108 -8.429 -1.614 -16.295 1.00 2.23 C ATOM 1687 C GLY A 108 -7.065 -2.292 -16.445 1.00 1.90 C ATOM 1688 O GLY A 108 -6.998 -3.453 -16.838 1.00 2.54 O ATOM 0 H GLY A 108 -7.711 0.072 -15.262 1.00 2.43 H new ATOM 0 HA2 GLY A 108 -9.165 -2.380 -16.049 1.00 2.23 H new ATOM 0 HA3 GLY A 108 -8.711 -1.199 -17.263 1.00 2.23 H new ATOM 1692 N LYS A 109 -5.959 -1.615 -16.124 1.00 1.12 N ATOM 1693 CA LYS A 109 -4.636 -2.251 -16.087 1.00 0.95 C ATOM 1694 C LYS A 109 -4.395 -2.847 -14.692 1.00 0.70 C ATOM 1695 O LYS A 109 -4.670 -2.191 -13.699 1.00 0.71 O ATOM 1696 CB LYS A 109 -3.548 -1.211 -16.423 1.00 1.06 C ATOM 1697 CG LYS A 109 -2.536 -1.618 -17.499 1.00 1.26 C ATOM 1698 CD LYS A 109 -1.571 -2.735 -17.071 1.00 2.73 C ATOM 1699 CE LYS A 109 -0.729 -2.297 -15.861 1.00 4.09 C ATOM 1700 NZ LYS A 109 0.185 -3.364 -15.414 1.00 6.42 N ATOM 0 H LYS A 109 -5.952 -0.623 -15.885 1.00 1.12 H new ATOM 0 HA LYS A 109 -4.593 -3.051 -16.826 1.00 0.95 H new ATOM 0 HB2 LYS A 109 -4.039 -0.292 -16.744 1.00 1.06 H new ATOM 0 HB3 LYS A 109 -3.002 -0.978 -15.509 1.00 1.06 H new ATOM 0 HG2 LYS A 109 -3.079 -1.943 -18.387 1.00 1.26 H new ATOM 0 HG3 LYS A 109 -1.954 -0.741 -17.784 1.00 1.26 H new ATOM 0 HD2 LYS A 109 -2.136 -3.633 -16.821 1.00 2.73 H new ATOM 0 HD3 LYS A 109 -0.915 -2.993 -17.902 1.00 2.73 H new ATOM 0 HE2 LYS A 109 -0.152 -1.410 -16.122 1.00 4.09 H new ATOM 0 HE3 LYS A 109 -1.390 -2.017 -15.041 1.00 4.09 H new ATOM 0 HZ1 LYS A 109 0.635 -3.083 -14.520 1.00 6.42 H new ATOM 0 HZ2 LYS A 109 -0.352 -4.243 -15.270 1.00 6.42 H new ATOM 0 HZ3 LYS A 109 0.917 -3.519 -16.136 1.00 6.42 H new ATOM 1714 N VAL A 110 -3.767 -4.014 -14.604 1.00 0.72 N ATOM 1715 CA VAL A 110 -3.375 -4.620 -13.321 1.00 0.66 C ATOM 1716 C VAL A 110 -2.013 -5.326 -13.422 1.00 0.75 C ATOM 1717 O VAL A 110 -1.527 -5.559 -14.533 1.00 1.05 O ATOM 1718 CB VAL A 110 -4.535 -5.498 -12.775 1.00 0.67 C ATOM 1719 CG1 VAL A 110 -4.955 -6.563 -13.798 1.00 0.81 C ATOM 1720 CG2 VAL A 110 -4.266 -6.157 -11.421 1.00 0.69 C ATOM 0 H VAL A 110 -3.511 -4.574 -15.418 1.00 0.72 H new ATOM 0 HA VAL A 110 -3.214 -3.841 -12.576 1.00 0.66 H new ATOM 0 HB VAL A 110 -5.351 -4.795 -12.608 1.00 0.67 H new ATOM 0 HG11 VAL A 110 -5.768 -7.161 -13.387 1.00 0.81 H new ATOM 0 HG12 VAL A 110 -5.290 -6.076 -14.714 1.00 0.81 H new ATOM 0 HG13 VAL A 110 -4.106 -7.209 -14.020 1.00 0.81 H new ATOM 0 HG21 VAL A 110 -5.133 -6.748 -11.125 1.00 0.69 H new ATOM 0 HG22 VAL A 110 -3.394 -6.806 -11.499 1.00 0.69 H new ATOM 0 HG23 VAL A 110 -4.079 -5.387 -10.672 1.00 0.69 H new ATOM 1730 N LEU A 111 -1.359 -5.576 -12.282 1.00 0.73 N ATOM 1731 CA LEU A 111 -0.177 -6.438 -12.136 1.00 0.89 C ATOM 1732 C LEU A 111 -0.239 -7.201 -10.817 1.00 0.98 C ATOM 1733 O LEU A 111 -0.203 -6.584 -9.753 1.00 1.02 O ATOM 1734 CB LEU A 111 1.121 -5.603 -12.103 1.00 1.06 C ATOM 1735 CG LEU A 111 1.840 -5.467 -13.448 1.00 1.64 C ATOM 1736 CD1 LEU A 111 2.709 -4.200 -13.450 1.00 1.66 C ATOM 1737 CD2 LEU A 111 2.688 -6.707 -13.758 1.00 2.71 C ATOM 0 H LEU A 111 -1.651 -5.165 -11.395 1.00 0.73 H new ATOM 0 HA LEU A 111 -0.173 -7.117 -12.989 1.00 0.89 H new ATOM 0 HB2 LEU A 111 0.884 -4.606 -11.733 1.00 1.06 H new ATOM 0 HB3 LEU A 111 1.807 -6.054 -11.386 1.00 1.06 H new ATOM 0 HG LEU A 111 1.087 -5.383 -14.231 1.00 1.64 H new ATOM 0 HD11 LEU A 111 3.218 -4.109 -14.410 1.00 1.66 H new ATOM 0 HD12 LEU A 111 2.078 -3.326 -13.290 1.00 1.66 H new ATOM 0 HD13 LEU A 111 3.449 -4.265 -12.652 1.00 1.66 H new ATOM 0 HD21 LEU A 111 3.185 -6.577 -14.720 1.00 2.71 H new ATOM 0 HD22 LEU A 111 3.437 -6.840 -12.978 1.00 2.71 H new ATOM 0 HD23 LEU A 111 2.046 -7.587 -13.797 1.00 2.71 H new ATOM 1749 N LYS A 112 -0.156 -8.527 -10.894 1.00 1.12 N ATOM 1750 CA LYS A 112 0.189 -9.353 -9.735 1.00 1.13 C ATOM 1751 C LYS A 112 1.675 -9.163 -9.401 1.00 1.07 C ATOM 1752 O LYS A 112 2.545 -9.534 -10.189 1.00 1.32 O ATOM 1753 CB LYS A 112 -0.155 -10.840 -9.965 1.00 1.31 C ATOM 1754 CG LYS A 112 0.193 -11.668 -8.709 1.00 1.70 C ATOM 1755 CD LYS A 112 -0.405 -13.083 -8.690 1.00 1.73 C ATOM 1756 CE LYS A 112 -1.892 -13.046 -8.311 1.00 2.30 C ATOM 1757 NZ LYS A 112 -2.430 -14.393 -8.002 1.00 2.79 N ATOM 0 H LYS A 112 -0.323 -9.056 -11.750 1.00 1.12 H new ATOM 0 HA LYS A 112 -0.411 -9.029 -8.885 1.00 1.13 H new ATOM 0 HB2 LYS A 112 -1.215 -10.944 -10.196 1.00 1.31 H new ATOM 0 HB3 LYS A 112 0.397 -11.220 -10.825 1.00 1.31 H new ATOM 0 HG2 LYS A 112 1.277 -11.745 -8.630 1.00 1.70 H new ATOM 0 HG3 LYS A 112 -0.154 -11.129 -7.827 1.00 1.70 H new ATOM 0 HD2 LYS A 112 -0.287 -13.545 -9.670 1.00 1.73 H new ATOM 0 HD3 LYS A 112 0.140 -13.703 -7.978 1.00 1.73 H new ATOM 0 HE2 LYS A 112 -2.028 -12.396 -7.446 1.00 2.30 H new ATOM 0 HE3 LYS A 112 -2.462 -12.609 -9.131 1.00 2.30 H new ATOM 0 HZ1 LYS A 112 -2.890 -14.786 -8.848 1.00 2.79 H new ATOM 0 HZ2 LYS A 112 -1.653 -15.018 -7.709 1.00 2.79 H new ATOM 0 HZ3 LYS A 112 -3.126 -14.321 -7.232 1.00 2.79 H new ATOM 1771 N VAL A 113 1.959 -8.626 -8.220 1.00 0.87 N ATOM 1772 CA VAL A 113 3.242 -8.776 -7.526 1.00 0.91 C ATOM 1773 C VAL A 113 3.084 -9.812 -6.405 1.00 0.91 C ATOM 1774 O VAL A 113 1.986 -10.016 -5.888 1.00 0.87 O ATOM 1775 CB VAL A 113 3.785 -7.426 -6.990 1.00 0.94 C ATOM 1776 CG1 VAL A 113 4.141 -6.480 -8.149 1.00 1.14 C ATOM 1777 CG2 VAL A 113 2.828 -6.711 -6.020 1.00 1.12 C ATOM 0 H VAL A 113 1.289 -8.059 -7.701 1.00 0.87 H new ATOM 0 HA VAL A 113 3.986 -9.129 -8.240 1.00 0.91 H new ATOM 0 HB VAL A 113 4.681 -7.679 -6.423 1.00 0.94 H new ATOM 0 HG11 VAL A 113 4.520 -5.540 -7.748 1.00 1.14 H new ATOM 0 HG12 VAL A 113 4.905 -6.942 -8.774 1.00 1.14 H new ATOM 0 HG13 VAL A 113 3.251 -6.287 -8.748 1.00 1.14 H new ATOM 0 HG21 VAL A 113 3.278 -5.775 -5.689 1.00 1.12 H new ATOM 0 HG22 VAL A 113 1.886 -6.502 -6.527 1.00 1.12 H new ATOM 0 HG23 VAL A 113 2.641 -7.349 -5.156 1.00 1.12 H new ATOM 1787 N VAL A 114 4.186 -10.462 -6.036 1.00 1.10 N ATOM 1788 CA VAL A 114 4.353 -11.173 -4.771 1.00 0.99 C ATOM 1789 C VAL A 114 5.249 -10.317 -3.880 1.00 1.02 C ATOM 1790 O VAL A 114 6.220 -9.744 -4.373 1.00 1.27 O ATOM 1791 CB VAL A 114 4.920 -12.586 -4.935 1.00 1.12 C ATOM 1792 CG1 VAL A 114 3.836 -13.573 -5.393 1.00 2.68 C ATOM 1793 CG2 VAL A 114 6.103 -12.604 -5.891 1.00 2.52 C ATOM 0 H VAL A 114 5.014 -10.510 -6.629 1.00 1.10 H new ATOM 0 HA VAL A 114 3.372 -11.318 -4.318 1.00 0.99 H new ATOM 0 HB VAL A 114 5.276 -12.906 -3.956 1.00 1.12 H new ATOM 0 HG11 VAL A 114 4.271 -14.567 -5.500 1.00 2.68 H new ATOM 0 HG12 VAL A 114 3.036 -13.604 -4.653 1.00 2.68 H new ATOM 0 HG13 VAL A 114 3.431 -13.249 -6.352 1.00 2.68 H new ATOM 0 HG21 VAL A 114 6.480 -13.622 -5.984 1.00 2.52 H new ATOM 0 HG22 VAL A 114 5.785 -12.244 -6.870 1.00 2.52 H new ATOM 0 HG23 VAL A 114 6.892 -11.958 -5.506 1.00 2.52 H new ATOM 1803 N LEU A 115 4.912 -10.192 -2.596 1.00 0.90 N ATOM 1804 CA LEU A 115 5.611 -9.340 -1.630 1.00 1.08 C ATOM 1805 C LEU A 115 5.717 -10.080 -0.287 1.00 1.05 C ATOM 1806 O LEU A 115 4.678 -10.545 0.183 1.00 1.12 O ATOM 1807 CB LEU A 115 4.809 -8.040 -1.419 1.00 1.26 C ATOM 1808 CG LEU A 115 4.594 -7.156 -2.663 1.00 1.49 C ATOM 1809 CD1 LEU A 115 3.634 -6.020 -2.292 1.00 1.78 C ATOM 1810 CD2 LEU A 115 5.909 -6.570 -3.194 1.00 1.89 C ATOM 0 H LEU A 115 4.124 -10.694 -2.187 1.00 0.90 H new ATOM 0 HA LEU A 115 6.606 -9.104 -2.007 1.00 1.08 H new ATOM 0 HB2 LEU A 115 3.832 -8.304 -1.015 1.00 1.26 H new ATOM 0 HB3 LEU A 115 5.318 -7.444 -0.661 1.00 1.26 H new ATOM 0 HG LEU A 115 4.176 -7.776 -3.456 1.00 1.49 H new ATOM 0 HD11 LEU A 115 3.470 -5.384 -3.162 1.00 1.78 H new ATOM 0 HD12 LEU A 115 2.683 -6.440 -1.965 1.00 1.78 H new ATOM 0 HD13 LEU A 115 4.066 -5.428 -1.485 1.00 1.78 H new ATOM 0 HD21 LEU A 115 5.706 -5.955 -4.071 1.00 1.89 H new ATOM 0 HD22 LEU A 115 6.373 -5.958 -2.421 1.00 1.89 H new ATOM 0 HD23 LEU A 115 6.584 -7.381 -3.468 1.00 1.89 H new ATOM 1822 N PRO A 116 6.895 -10.177 0.358 1.00 1.11 N ATOM 1823 CA PRO A 116 7.062 -10.859 1.639 1.00 1.14 C ATOM 1824 C PRO A 116 6.216 -10.228 2.747 1.00 1.14 C ATOM 1825 O PRO A 116 5.971 -9.020 2.763 1.00 1.20 O ATOM 1826 CB PRO A 116 8.557 -10.772 1.971 1.00 1.26 C ATOM 1827 CG PRO A 116 9.017 -9.549 1.182 1.00 1.36 C ATOM 1828 CD PRO A 116 8.177 -9.663 -0.086 1.00 1.25 C ATOM 0 HA PRO A 116 6.723 -11.892 1.569 1.00 1.14 H new ATOM 0 HB2 PRO A 116 8.726 -10.648 3.041 1.00 1.26 H new ATOM 0 HB3 PRO A 116 9.091 -11.672 1.666 1.00 1.26 H new ATOM 0 HG2 PRO A 116 8.824 -8.620 1.718 1.00 1.36 H new ATOM 0 HG3 PRO A 116 10.086 -9.578 0.969 1.00 1.36 H new ATOM 0 HD2 PRO A 116 8.066 -8.695 -0.574 1.00 1.25 H new ATOM 0 HD3 PRO A 116 8.642 -10.333 -0.809 1.00 1.25 H new ATOM 1836 N VAL A 117 5.816 -11.033 3.728 1.00 1.14 N ATOM 1837 CA VAL A 117 5.297 -10.528 4.997 1.00 1.22 C ATOM 1838 C VAL A 117 6.468 -10.071 5.882 1.00 1.51 C ATOM 1839 O VAL A 117 7.468 -10.775 6.016 1.00 1.77 O ATOM 1840 CB VAL A 117 4.459 -11.607 5.701 1.00 1.20 C ATOM 1841 CG1 VAL A 117 4.099 -11.182 7.128 1.00 1.39 C ATOM 1842 CG2 VAL A 117 3.156 -11.872 4.933 1.00 1.06 C ATOM 0 H VAL A 117 5.842 -12.051 3.667 1.00 1.14 H new ATOM 0 HA VAL A 117 4.646 -9.674 4.809 1.00 1.22 H new ATOM 0 HB VAL A 117 5.064 -12.513 5.731 1.00 1.20 H new ATOM 0 HG11 VAL A 117 3.506 -11.964 7.602 1.00 1.39 H new ATOM 0 HG12 VAL A 117 5.012 -11.021 7.701 1.00 1.39 H new ATOM 0 HG13 VAL A 117 3.522 -10.258 7.098 1.00 1.39 H new ATOM 0 HG21 VAL A 117 2.579 -12.639 5.449 1.00 1.06 H new ATOM 0 HG22 VAL A 117 2.572 -10.953 4.879 1.00 1.06 H new ATOM 0 HG23 VAL A 117 3.391 -12.212 3.924 1.00 1.06 H new ATOM 1852 N GLU A 118 6.324 -8.906 6.523 1.00 1.55 N ATOM 1853 CA GLU A 118 7.340 -8.303 7.394 1.00 1.88 C ATOM 1854 C GLU A 118 6.645 -7.498 8.509 1.00 2.03 C ATOM 1855 O GLU A 118 5.505 -7.041 8.371 1.00 2.12 O ATOM 1856 CB GLU A 118 8.342 -7.485 6.544 1.00 2.12 C ATOM 1857 CG GLU A 118 9.832 -7.735 6.807 1.00 2.44 C ATOM 1858 CD GLU A 118 10.350 -6.900 7.967 1.00 2.51 C ATOM 1859 OE1 GLU A 118 10.028 -7.257 9.119 1.00 2.57 O ATOM 1860 OE2 GLU A 118 11.044 -5.876 7.732 1.00 3.59 O ATOM 0 H GLU A 118 5.477 -8.342 6.449 1.00 1.55 H new ATOM 0 HA GLU A 118 7.933 -9.068 7.895 1.00 1.88 H new ATOM 0 HB2 GLU A 118 8.143 -7.690 5.492 1.00 2.12 H new ATOM 0 HB3 GLU A 118 8.141 -6.426 6.706 1.00 2.12 H new ATOM 0 HG2 GLU A 118 9.991 -8.792 7.021 1.00 2.44 H new ATOM 0 HG3 GLU A 118 10.403 -7.502 5.908 1.00 2.44 H new ATOM 1867 N ALA A 119 7.301 -7.385 9.661 1.00 2.13 N ATOM 1868 CA ALA A 119 6.684 -7.069 10.950 1.00 2.06 C ATOM 1869 C ALA A 119 6.944 -5.619 11.382 1.00 2.07 C ATOM 1870 O ALA A 119 7.543 -5.375 12.434 1.00 2.35 O ATOM 1871 CB ALA A 119 7.200 -8.110 11.954 1.00 2.27 C ATOM 0 H ALA A 119 8.311 -7.515 9.727 1.00 2.13 H new ATOM 0 HA ALA A 119 5.597 -7.128 10.886 1.00 2.06 H new ATOM 0 HB1 ALA A 119 6.766 -7.916 12.935 1.00 2.27 H new ATOM 0 HB2 ALA A 119 6.914 -9.108 11.622 1.00 2.27 H new ATOM 0 HB3 ALA A 119 8.286 -8.046 12.019 1.00 2.27 H new ATOM 1877 N ARG A 120 6.587 -4.654 10.526 1.00 2.17 N ATOM 1878 CA ARG A 120 6.616 -3.203 10.813 1.00 2.16 C ATOM 1879 C ARG A 120 5.185 -2.727 11.057 1.00 2.05 C ATOM 1880 O ARG A 120 4.729 -2.798 12.215 1.00 2.06 O ATOM 1881 CB ARG A 120 7.289 -2.428 9.655 1.00 2.67 C ATOM 1882 CG ARG A 120 8.829 -2.337 9.644 1.00 2.84 C ATOM 1883 CD ARG A 120 9.606 -3.656 9.514 1.00 2.60 C ATOM 1884 NE ARG A 120 9.656 -4.378 10.791 1.00 2.90 N ATOM 1885 CZ ARG A 120 10.566 -5.226 11.219 1.00 3.89 C ATOM 1886 NH1 ARG A 120 11.642 -5.507 10.544 1.00 4.44 N ATOM 1887 NH2 ARG A 120 10.339 -5.824 12.355 1.00 5.04 N ATOM 1888 OXT ARG A 120 4.484 -2.415 10.074 1.00 2.92 O ATOM 0 H ARG A 120 6.259 -4.861 9.583 1.00 2.17 H new ATOM 0 HA ARG A 120 7.211 -3.011 11.706 1.00 2.16 H new ATOM 0 HB2 ARG A 120 6.975 -2.888 8.718 1.00 2.67 H new ATOM 0 HB3 ARG A 120 6.894 -1.412 9.659 1.00 2.67 H new ATOM 0 HG2 ARG A 120 9.124 -1.688 8.820 1.00 2.84 H new ATOM 0 HG3 ARG A 120 9.146 -1.847 10.565 1.00 2.84 H new ATOM 0 HD2 ARG A 120 9.135 -4.284 8.758 1.00 2.60 H new ATOM 0 HD3 ARG A 120 10.620 -3.450 9.171 1.00 2.60 H new ATOM 0 HE ARG A 120 8.883 -4.198 11.431 1.00 2.90 H new ATOM 0 HH11 ARG A 120 11.808 -5.062 9.641 1.00 4.44 H new ATOM 0 HH12 ARG A 120 12.319 -6.172 10.918 1.00 4.44 H new ATOM 0 HH21 ARG A 120 9.483 -5.626 12.873 1.00 5.04 H new ATOM 0 HH22 ARG A 120 11.017 -6.490 12.725 1.00 5.04 H new TER 1902 ARG A 120