USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 840 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 99 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Set 1.2: A 101 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= 0.806 F(o=0,f=0.81) USER MOD Set 3.1: A 52 TYR OH : rot 180:sc= -0.0625 USER MOD Set 3.2: A 72 ASN : amide:sc= -0.516 X(o=-0.58,f=-0.37) USER MOD Set 4.1: A 34 HIS : no HE2:sc= -0.404 K(o=0.63,f=-1.5) USER MOD Set 4.2: A 59 TYR OH : rot 129:sc= -0.257 USER MOD Set 4.3: A 62 THR OG1 : rot 85:sc= 1.26 USER MOD Set 4.4: A 63 HIS : no HD1:sc= 0.0289 K(o=0.63,f=-3.4!) USER MOD Set 5.1: A 53 GLN : amide:sc= 1.19 K(o=2.7,f=-0.94) USER MOD Set 5.2: A 57 ASN : amide:sc= 1.48 K(o=2.7,f=-0.94) USER MOD Set 6.1: A 27 HIS : no HD1:sc= -0.481 K(o=-0.48,f=-1.8) USER MOD Set 6.2: A 70 LYS NZ :NH3+ -136:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 7 TYR OH : rot 180:sc= -0.0212 USER MOD Single : A 9 TYR OH : rot -131:sc= 0.792 USER MOD Single : A 10 GLN : amide:sc= -0.134 K(o=-0.13,f=-0.69) USER MOD Single : A 12 TYR OH : rot 60:sc= -0.776 USER MOD Single : A 15 ASN : amide:sc=-0.00405 K(o=-0.0041,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.0026) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -132:sc= 1.46 (180deg=-1.58!) USER MOD Single : A 28 TYR OH : rot 91:sc= 1.15 USER MOD Single : A 30 SER OG : rot -94:sc= 1.29 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.0088) USER MOD Single : A 41 HIS : no HD1:sc= -0.786 X(o=-0.79,f=-0.3) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 1.58 (180deg=0.611) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 54 LYS NZ :NH3+ -152:sc= 0.648 (180deg=0.237) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc=-0.000691 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.8 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 87 TYR OH : rot -116:sc= 0.208 USER MOD Single : A 90 LYS NZ :NH3+ -110:sc= 0.283 (180deg=-0.148) USER MOD Single : A 91 ASN : amide:sc= -0.437 K(o=-0.44,f=-2.4) USER MOD Single : A 93 THR OG1 : rot 51:sc= -0.652 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 4.022 6.982 12.692 1.00 4.01 N ATOM 21 CA ILE A 2 4.202 5.613 12.240 1.00 4.44 C ATOM 22 C ILE A 2 4.815 5.569 10.839 1.00 72.12 C ATOM 23 O ILE A 2 4.674 6.507 10.048 1.00 42.52 O ATOM 24 CB ILE A 2 2.858 4.841 12.255 1.00 44.22 C ATOM 25 CG1 ILE A 2 3.086 3.335 12.097 1.00 4.31 C ATOM 26 CG2 ILE A 2 1.929 5.350 11.163 1.00 60.00 C ATOM 27 CD1 ILE A 2 3.895 2.726 13.220 1.00 1.34 C ATOM 0 HA ILE A 2 4.890 5.129 12.933 1.00 4.44 H new ATOM 0 HB ILE A 2 2.386 5.017 13.222 1.00 44.22 H new ATOM 0 HG12 ILE A 2 2.120 2.833 12.042 1.00 4.31 H new ATOM 0 HG13 ILE A 2 3.595 3.150 11.151 1.00 4.31 H new ATOM 0 HG21 ILE A 2 0.992 4.793 11.193 1.00 60.00 H new ATOM 0 HG22 ILE A 2 1.727 6.409 11.322 1.00 60.00 H new ATOM 0 HG23 ILE A 2 2.401 5.213 10.190 1.00 60.00 H new ATOM 0 HD11 ILE A 2 4.017 1.658 13.042 1.00 1.34 H new ATOM 0 HD12 ILE A 2 4.875 3.201 13.262 1.00 1.34 H new ATOM 0 HD13 ILE A 2 3.377 2.880 14.167 1.00 1.34 H new ATOM 39 N THR A 3 5.516 4.484 10.553 1.00 34.31 N ATOM 40 CA THR A 3 6.089 4.253 9.242 1.00 64.51 C ATOM 41 C THR A 3 5.035 3.673 8.305 1.00 34.32 C ATOM 42 O THR A 3 4.232 2.839 8.723 1.00 2.43 O ATOM 43 CB THR A 3 7.279 3.289 9.352 1.00 32.23 C ATOM 44 OG1 THR A 3 6.860 2.075 9.990 1.00 12.15 O ATOM 45 CG2 THR A 3 8.402 3.918 10.160 1.00 2.04 C ATOM 0 H THR A 3 5.702 3.740 11.225 1.00 34.31 H new ATOM 0 HA THR A 3 6.438 5.203 8.837 1.00 64.51 H new ATOM 0 HB THR A 3 7.643 3.072 8.348 1.00 32.23 H new ATOM 0 HG1 THR A 3 7.621 1.461 10.057 1.00 12.15 H new ATOM 0 HG21 THR A 3 9.237 3.220 10.227 1.00 2.04 H new ATOM 0 HG22 THR A 3 8.733 4.834 9.671 1.00 2.04 H new ATOM 0 HG23 THR A 3 8.043 4.151 11.162 1.00 2.04 H new ATOM 53 N PHE A 4 5.055 4.100 7.048 1.00 32.31 N ATOM 54 CA PHE A 4 4.026 3.712 6.081 1.00 35.22 C ATOM 55 C PHE A 4 3.910 2.193 5.947 1.00 20.55 C ATOM 56 O PHE A 4 2.807 1.648 5.966 1.00 73.42 O ATOM 57 CB PHE A 4 4.317 4.337 4.715 1.00 1.23 C ATOM 58 CG PHE A 4 3.320 3.966 3.648 1.00 12.10 C ATOM 59 CD1 PHE A 4 1.962 3.922 3.930 1.00 50.32 C ATOM 60 CD2 PHE A 4 3.741 3.650 2.366 1.00 20.12 C ATOM 61 CE1 PHE A 4 1.047 3.575 2.956 1.00 62.00 C ATOM 62 CE2 PHE A 4 2.829 3.300 1.388 1.00 34.50 C ATOM 63 CZ PHE A 4 1.481 3.264 1.685 1.00 65.02 C ATOM 0 H PHE A 4 5.774 4.717 6.670 1.00 32.31 H new ATOM 0 HA PHE A 4 3.072 4.085 6.455 1.00 35.22 H new ATOM 0 HB2 PHE A 4 4.336 5.422 4.819 1.00 1.23 H new ATOM 0 HB3 PHE A 4 5.312 4.031 4.391 1.00 1.23 H new ATOM 0 HD1 PHE A 4 1.616 4.162 4.925 1.00 50.32 H new ATOM 0 HD2 PHE A 4 4.794 3.678 2.128 1.00 20.12 H new ATOM 0 HE1 PHE A 4 -0.007 3.547 3.189 1.00 62.00 H new ATOM 0 HE2 PHE A 4 3.170 3.055 0.393 1.00 34.50 H new ATOM 0 HZ PHE A 4 0.767 2.992 0.922 1.00 65.02 H new ATOM 73 N ALA A 5 5.048 1.518 5.820 1.00 63.34 N ATOM 74 CA ALA A 5 5.064 0.065 5.662 1.00 52.31 C ATOM 75 C ALA A 5 4.342 -0.625 6.818 1.00 65.12 C ATOM 76 O ALA A 5 3.396 -1.386 6.612 1.00 41.42 O ATOM 77 CB ALA A 5 6.496 -0.439 5.556 1.00 25.00 C ATOM 0 H ALA A 5 5.971 1.952 5.823 1.00 63.34 H new ATOM 0 HA ALA A 5 4.534 -0.180 4.741 1.00 52.31 H new ATOM 0 HB1 ALA A 5 6.493 -1.523 5.439 1.00 25.00 H new ATOM 0 HB2 ALA A 5 6.980 0.018 4.693 1.00 25.00 H new ATOM 0 HB3 ALA A 5 7.043 -0.174 6.461 1.00 25.00 H new ATOM 83 N ASP A 6 4.778 -0.326 8.035 1.00 74.21 N ATOM 84 CA ASP A 6 4.222 -0.955 9.230 1.00 64.43 C ATOM 85 C ASP A 6 2.771 -0.529 9.452 1.00 33.13 C ATOM 86 O ASP A 6 1.963 -1.293 9.984 1.00 22.43 O ATOM 87 CB ASP A 6 5.078 -0.603 10.454 1.00 54.01 C ATOM 88 CG ASP A 6 4.629 -1.320 11.711 1.00 45.44 C ATOM 89 OD1 ASP A 6 4.693 -2.566 11.746 1.00 12.01 O ATOM 90 OD2 ASP A 6 4.237 -0.637 12.681 1.00 33.34 O ATOM 0 H ASP A 6 5.518 0.351 8.223 1.00 74.21 H new ATOM 0 HA ASP A 6 4.234 -2.035 9.087 1.00 64.43 H new ATOM 0 HB2 ASP A 6 6.118 -0.856 10.249 1.00 54.01 H new ATOM 0 HB3 ASP A 6 5.039 0.473 10.622 1.00 54.01 H new ATOM 95 N TYR A 7 2.444 0.693 9.035 1.00 14.22 N ATOM 96 CA TYR A 7 1.079 1.202 9.131 1.00 52.53 C ATOM 97 C TYR A 7 0.151 0.408 8.220 1.00 51.25 C ATOM 98 O TYR A 7 -0.931 -0.003 8.631 1.00 30.22 O ATOM 99 CB TYR A 7 1.031 2.688 8.758 1.00 74.12 C ATOM 100 CG TYR A 7 -0.363 3.284 8.779 1.00 31.01 C ATOM 101 CD1 TYR A 7 -0.953 3.675 9.975 1.00 63.05 C ATOM 102 CD2 TYR A 7 -1.087 3.456 7.604 1.00 63.42 C ATOM 103 CE1 TYR A 7 -2.223 4.219 9.999 1.00 62.41 C ATOM 104 CE2 TYR A 7 -2.358 4.001 7.621 1.00 62.32 C ATOM 105 CZ TYR A 7 -2.921 4.380 8.821 1.00 24.14 C ATOM 106 OH TYR A 7 -4.186 4.924 8.842 1.00 32.10 O ATOM 0 H TYR A 7 3.109 1.350 8.626 1.00 14.22 H new ATOM 0 HA TYR A 7 0.744 1.089 10.162 1.00 52.53 H new ATOM 0 HB2 TYR A 7 1.664 3.246 9.448 1.00 74.12 H new ATOM 0 HB3 TYR A 7 1.455 2.816 7.762 1.00 74.12 H new ATOM 0 HD1 TYR A 7 -0.410 3.552 10.901 1.00 63.05 H new ATOM 0 HD2 TYR A 7 -0.649 3.159 6.662 1.00 63.42 H new ATOM 0 HE1 TYR A 7 -2.667 4.517 10.937 1.00 62.41 H new ATOM 0 HE2 TYR A 7 -2.906 4.129 6.699 1.00 62.32 H new ATOM 0 HH TYR A 7 -4.538 4.969 7.928 1.00 32.10 H new ATOM 116 N PHE A 8 0.596 0.190 6.987 1.00 12.44 N ATOM 117 CA PHE A 8 -0.179 -0.554 6.004 1.00 11.13 C ATOM 118 C PHE A 8 -0.489 -1.953 6.519 1.00 21.25 C ATOM 119 O PHE A 8 -1.621 -2.425 6.427 1.00 34.44 O ATOM 120 CB PHE A 8 0.594 -0.641 4.686 1.00 72.42 C ATOM 121 CG PHE A 8 -0.163 -1.318 3.575 1.00 14.51 C ATOM 122 CD1 PHE A 8 -0.992 -0.582 2.746 1.00 4.30 C ATOM 123 CD2 PHE A 8 -0.045 -2.685 3.359 1.00 54.20 C ATOM 124 CE1 PHE A 8 -1.689 -1.191 1.722 1.00 64.55 C ATOM 125 CE2 PHE A 8 -0.742 -3.300 2.335 1.00 10.25 C ATOM 126 CZ PHE A 8 -1.564 -2.552 1.515 1.00 4.54 C ATOM 0 H PHE A 8 1.497 0.522 6.644 1.00 12.44 H new ATOM 0 HA PHE A 8 -1.119 -0.030 5.832 1.00 11.13 H new ATOM 0 HB2 PHE A 8 0.863 0.366 4.367 1.00 72.42 H new ATOM 0 HB3 PHE A 8 1.526 -1.180 4.858 1.00 72.42 H new ATOM 0 HD1 PHE A 8 -1.095 0.482 2.902 1.00 4.30 H new ATOM 0 HD2 PHE A 8 0.598 -3.274 3.997 1.00 54.20 H new ATOM 0 HE1 PHE A 8 -2.332 -0.604 1.083 1.00 64.55 H new ATOM 0 HE2 PHE A 8 -0.644 -4.364 2.177 1.00 10.25 H new ATOM 0 HZ PHE A 8 -2.108 -3.030 0.714 1.00 4.54 H new ATOM 136 N TYR A 9 0.524 -2.604 7.071 1.00 73.33 N ATOM 137 CA TYR A 9 0.369 -3.948 7.593 1.00 32.15 C ATOM 138 C TYR A 9 -0.650 -3.972 8.731 1.00 44.33 C ATOM 139 O TYR A 9 -1.545 -4.817 8.753 1.00 35.34 O ATOM 140 CB TYR A 9 1.712 -4.487 8.079 1.00 62.42 C ATOM 141 CG TYR A 9 1.639 -5.908 8.576 1.00 31.45 C ATOM 142 CD1 TYR A 9 1.575 -6.966 7.681 1.00 32.51 C ATOM 143 CD2 TYR A 9 1.623 -6.190 9.935 1.00 41.42 C ATOM 144 CE1 TYR A 9 1.494 -8.270 8.127 1.00 71.42 C ATOM 145 CE2 TYR A 9 1.546 -7.488 10.390 1.00 13.40 C ATOM 146 CZ TYR A 9 1.481 -8.526 9.484 1.00 33.22 C ATOM 147 OH TYR A 9 1.390 -9.819 9.942 1.00 63.33 O ATOM 0 H TYR A 9 1.464 -2.219 7.168 1.00 73.33 H new ATOM 0 HA TYR A 9 0.003 -4.586 6.789 1.00 32.15 H new ATOM 0 HB2 TYR A 9 2.434 -4.431 7.265 1.00 62.42 H new ATOM 0 HB3 TYR A 9 2.084 -3.848 8.880 1.00 62.42 H new ATOM 0 HD1 TYR A 9 1.589 -6.767 6.620 1.00 32.51 H new ATOM 0 HD2 TYR A 9 1.672 -5.379 10.647 1.00 41.42 H new ATOM 0 HE1 TYR A 9 1.441 -9.084 7.420 1.00 71.42 H new ATOM 0 HE2 TYR A 9 1.537 -7.692 11.451 1.00 13.40 H new ATOM 0 HH TYR A 9 0.693 -9.874 10.629 1.00 63.33 H new ATOM 157 N GLN A 10 -0.509 -3.036 9.661 1.00 14.34 N ATOM 158 CA GLN A 10 -1.420 -2.938 10.795 1.00 73.40 C ATOM 159 C GLN A 10 -2.840 -2.655 10.310 1.00 43.34 C ATOM 160 O GLN A 10 -3.789 -3.325 10.719 1.00 34.24 O ATOM 161 CB GLN A 10 -0.926 -1.850 11.760 1.00 53.43 C ATOM 162 CG GLN A 10 -1.787 -1.649 12.998 1.00 32.43 C ATOM 163 CD GLN A 10 -2.804 -0.533 12.833 1.00 12.03 C ATOM 164 OE1 GLN A 10 -3.940 -0.760 12.422 1.00 42.01 O ATOM 165 NE2 GLN A 10 -2.394 0.687 13.146 1.00 64.53 N ATOM 0 H GLN A 10 0.229 -2.332 9.652 1.00 14.34 H new ATOM 0 HA GLN A 10 -1.439 -3.887 11.331 1.00 73.40 H new ATOM 0 HB2 GLN A 10 0.087 -2.099 12.077 1.00 53.43 H new ATOM 0 HB3 GLN A 10 -0.867 -0.905 11.219 1.00 53.43 H new ATOM 0 HG2 GLN A 10 -2.308 -2.578 13.227 1.00 32.43 H new ATOM 0 HG3 GLN A 10 -1.144 -1.426 13.850 1.00 32.43 H new ATOM 0 HE21 GLN A 10 -1.443 0.834 13.484 1.00 64.53 H new ATOM 0 HE22 GLN A 10 -3.029 1.479 13.049 1.00 64.53 H new ATOM 174 N TRP A 11 -2.963 -1.685 9.409 1.00 2.34 N ATOM 175 CA TRP A 11 -4.248 -1.315 8.824 1.00 72.55 C ATOM 176 C TRP A 11 -4.931 -2.529 8.195 1.00 12.11 C ATOM 177 O TRP A 11 -6.143 -2.701 8.302 1.00 61.04 O ATOM 178 CB TRP A 11 -4.039 -0.216 7.775 1.00 15.42 C ATOM 179 CG TRP A 11 -5.282 0.161 7.029 1.00 0.10 C ATOM 180 CD1 TRP A 11 -6.321 0.920 7.489 1.00 62.41 C ATOM 181 CD2 TRP A 11 -5.610 -0.198 5.680 1.00 31.31 C ATOM 182 NE1 TRP A 11 -7.282 1.041 6.515 1.00 1.23 N ATOM 183 CE2 TRP A 11 -6.865 0.369 5.392 1.00 44.31 C ATOM 184 CE3 TRP A 11 -4.965 -0.948 4.689 1.00 61.33 C ATOM 185 CZ2 TRP A 11 -7.487 0.214 4.157 1.00 1.43 C ATOM 186 CZ3 TRP A 11 -5.584 -1.099 3.460 1.00 40.42 C ATOM 187 CH2 TRP A 11 -6.832 -0.520 3.204 1.00 23.15 C ATOM 0 H TRP A 11 -2.177 -1.134 9.064 1.00 2.34 H new ATOM 0 HA TRP A 11 -4.897 -0.938 9.615 1.00 72.55 H new ATOM 0 HB2 TRP A 11 -3.641 0.671 8.268 1.00 15.42 H new ATOM 0 HB3 TRP A 11 -3.286 -0.549 7.061 1.00 15.42 H new ATOM 0 HD1 TRP A 11 -6.378 1.360 8.474 1.00 62.41 H new ATOM 0 HE1 TRP A 11 -8.162 1.548 6.610 1.00 1.23 H new ATOM 0 HE3 TRP A 11 -4.003 -1.400 4.880 1.00 61.33 H new ATOM 0 HZ2 TRP A 11 -8.452 0.657 3.957 1.00 1.43 H new ATOM 0 HZ3 TRP A 11 -5.096 -1.673 2.686 1.00 40.42 H new ATOM 0 HH2 TRP A 11 -7.288 -0.655 2.234 1.00 23.15 H new ATOM 198 N TYR A 12 -4.145 -3.375 7.550 1.00 52.15 N ATOM 199 CA TYR A 12 -4.672 -4.581 6.932 1.00 13.34 C ATOM 200 C TYR A 12 -5.029 -5.631 7.982 1.00 51.30 C ATOM 201 O TYR A 12 -6.156 -6.128 8.014 1.00 3.21 O ATOM 202 CB TYR A 12 -3.659 -5.156 5.939 1.00 71.11 C ATOM 203 CG TYR A 12 -4.030 -6.530 5.424 1.00 50.32 C ATOM 204 CD1 TYR A 12 -5.279 -6.770 4.865 1.00 70.10 C ATOM 205 CD2 TYR A 12 -3.136 -7.589 5.509 1.00 5.20 C ATOM 206 CE1 TYR A 12 -5.624 -8.022 4.403 1.00 75.34 C ATOM 207 CE2 TYR A 12 -3.474 -8.846 5.048 1.00 10.10 C ATOM 208 CZ TYR A 12 -4.719 -9.056 4.496 1.00 31.30 C ATOM 209 OH TYR A 12 -5.059 -10.302 4.034 1.00 12.21 O ATOM 0 H TYR A 12 -3.139 -3.249 7.441 1.00 52.15 H new ATOM 0 HA TYR A 12 -5.583 -4.312 6.398 1.00 13.34 H new ATOM 0 HB2 TYR A 12 -3.563 -4.474 5.094 1.00 71.11 H new ATOM 0 HB3 TYR A 12 -2.682 -5.208 6.419 1.00 71.11 H new ATOM 0 HD1 TYR A 12 -5.992 -5.962 4.791 1.00 70.10 H new ATOM 0 HD2 TYR A 12 -2.160 -7.427 5.943 1.00 5.20 H new ATOM 0 HE1 TYR A 12 -6.599 -8.191 3.970 1.00 75.34 H new ATOM 0 HE2 TYR A 12 -2.767 -9.659 5.120 1.00 10.10 H new ATOM 0 HH TYR A 12 -5.267 -10.251 3.078 1.00 12.21 H new ATOM 219 N GLU A 13 -4.070 -5.951 8.841 1.00 14.01 N ATOM 220 CA GLU A 13 -4.213 -7.046 9.797 1.00 31.25 C ATOM 221 C GLU A 13 -5.376 -6.814 10.762 1.00 74.11 C ATOM 222 O GLU A 13 -6.098 -7.748 11.110 1.00 61.13 O ATOM 223 CB GLU A 13 -2.908 -7.230 10.577 1.00 42.35 C ATOM 224 CG GLU A 13 -2.894 -8.456 11.473 1.00 54.24 C ATOM 225 CD GLU A 13 -1.606 -8.588 12.258 1.00 34.22 C ATOM 226 OE1 GLU A 13 -1.495 -7.962 13.333 1.00 71.10 O ATOM 227 OE2 GLU A 13 -0.700 -9.320 11.810 1.00 24.12 O ATOM 0 H GLU A 13 -3.176 -5.464 8.896 1.00 14.01 H new ATOM 0 HA GLU A 13 -4.433 -7.953 9.233 1.00 31.25 H new ATOM 0 HB2 GLU A 13 -2.081 -7.299 9.871 1.00 42.35 H new ATOM 0 HB3 GLU A 13 -2.733 -6.344 11.187 1.00 42.35 H new ATOM 0 HG2 GLU A 13 -3.734 -8.405 12.166 1.00 54.24 H new ATOM 0 HG3 GLU A 13 -3.037 -9.348 10.864 1.00 54.24 H new ATOM 234 N VAL A 14 -5.565 -5.570 11.178 1.00 23.35 N ATOM 235 CA VAL A 14 -6.593 -5.245 12.158 1.00 2.11 C ATOM 236 C VAL A 14 -7.963 -5.059 11.494 1.00 4.00 C ATOM 237 O VAL A 14 -9.003 -5.153 12.152 1.00 14.31 O ATOM 238 CB VAL A 14 -6.213 -3.967 12.950 1.00 3.33 C ATOM 239 CG1 VAL A 14 -7.247 -3.642 14.017 1.00 65.21 C ATOM 240 CG2 VAL A 14 -4.838 -4.122 13.578 1.00 2.03 C ATOM 0 H VAL A 14 -5.022 -4.770 10.853 1.00 23.35 H new ATOM 0 HA VAL A 14 -6.660 -6.085 12.850 1.00 2.11 H new ATOM 0 HB VAL A 14 -6.190 -3.136 12.245 1.00 3.33 H new ATOM 0 HG11 VAL A 14 -6.947 -2.741 14.551 1.00 65.21 H new ATOM 0 HG12 VAL A 14 -8.217 -3.479 13.546 1.00 65.21 H new ATOM 0 HG13 VAL A 14 -7.319 -4.473 14.719 1.00 65.21 H new ATOM 0 HG21 VAL A 14 -4.586 -3.217 14.130 1.00 2.03 H new ATOM 0 HG22 VAL A 14 -4.843 -4.973 14.259 1.00 2.03 H new ATOM 0 HG23 VAL A 14 -4.097 -4.288 12.796 1.00 2.03 H new ATOM 250 N ASN A 15 -7.971 -4.837 10.185 1.00 10.54 N ATOM 251 CA ASN A 15 -9.214 -4.507 9.489 1.00 34.33 C ATOM 252 C ASN A 15 -9.613 -5.560 8.465 1.00 54.24 C ATOM 253 O ASN A 15 -10.596 -6.269 8.645 1.00 41.52 O ATOM 254 CB ASN A 15 -9.114 -3.144 8.794 1.00 31.54 C ATOM 255 CG ASN A 15 -9.210 -1.975 9.756 1.00 62.21 C ATOM 256 OD1 ASN A 15 -9.866 -2.061 10.793 1.00 63.21 O ATOM 257 ND2 ASN A 15 -8.563 -0.870 9.414 1.00 3.13 N ATOM 0 H ASN A 15 -7.144 -4.878 9.589 1.00 10.54 H new ATOM 0 HA ASN A 15 -9.986 -4.473 10.258 1.00 34.33 H new ATOM 0 HB2 ASN A 15 -8.168 -3.086 8.255 1.00 31.54 H new ATOM 0 HB3 ASN A 15 -9.909 -3.062 8.052 1.00 31.54 H new ATOM 0 HD21 ASN A 15 -8.598 -0.050 10.020 1.00 3.13 H new ATOM 0 HD22 ASN A 15 -8.030 -0.839 8.545 1.00 3.13 H new ATOM 264 N LYS A 16 -8.834 -5.674 7.398 1.00 73.02 N ATOM 265 CA LYS A 16 -9.263 -6.418 6.214 1.00 64.31 C ATOM 266 C LYS A 16 -8.953 -7.909 6.322 1.00 73.55 C ATOM 267 O LYS A 16 -9.532 -8.720 5.595 1.00 24.12 O ATOM 268 CB LYS A 16 -8.586 -5.843 4.969 1.00 20.35 C ATOM 269 CG LYS A 16 -8.629 -4.323 4.890 1.00 54.51 C ATOM 270 CD LYS A 16 -10.053 -3.793 4.955 1.00 3.44 C ATOM 271 CE LYS A 16 -10.083 -2.273 4.997 1.00 3.12 C ATOM 272 NZ LYS A 16 -11.470 -1.752 5.095 1.00 13.02 N ATOM 0 H LYS A 16 -7.903 -5.263 7.325 1.00 73.02 H new ATOM 0 HA LYS A 16 -10.345 -6.312 6.138 1.00 64.31 H new ATOM 0 HB2 LYS A 16 -7.546 -6.169 4.950 1.00 20.35 H new ATOM 0 HB3 LYS A 16 -9.066 -6.257 4.082 1.00 20.35 H new ATOM 0 HG2 LYS A 16 -8.046 -3.900 5.708 1.00 54.51 H new ATOM 0 HG3 LYS A 16 -8.161 -3.994 3.962 1.00 54.51 H new ATOM 0 HD2 LYS A 16 -10.613 -4.145 4.088 1.00 3.44 H new ATOM 0 HD3 LYS A 16 -10.550 -4.192 5.839 1.00 3.44 H new ATOM 0 HE2 LYS A 16 -9.501 -1.921 5.849 1.00 3.12 H new ATOM 0 HE3 LYS A 16 -9.608 -1.875 4.101 1.00 3.12 H new ATOM 0 HZ1 LYS A 16 -11.449 -0.713 5.121 1.00 13.02 H new ATOM 0 HZ2 LYS A 16 -12.018 -2.067 4.269 1.00 13.02 H new ATOM 0 HZ3 LYS A 16 -11.915 -2.111 5.963 1.00 13.02 H new ATOM 286 N LEU A 17 -8.053 -8.258 7.231 1.00 43.52 N ATOM 287 CA LEU A 17 -7.573 -9.635 7.378 1.00 22.22 C ATOM 288 C LEU A 17 -8.712 -10.649 7.604 1.00 2.42 C ATOM 289 O LEU A 17 -8.828 -11.615 6.848 1.00 73.12 O ATOM 290 CB LEU A 17 -6.560 -9.718 8.527 1.00 32.11 C ATOM 291 CG LEU A 17 -5.799 -11.040 8.639 1.00 0.45 C ATOM 292 CD1 LEU A 17 -4.860 -11.209 7.458 1.00 52.01 C ATOM 293 CD2 LEU A 17 -5.028 -11.098 9.947 1.00 11.21 C ATOM 0 H LEU A 17 -7.633 -7.600 7.888 1.00 43.52 H new ATOM 0 HA LEU A 17 -7.093 -9.904 6.437 1.00 22.22 H new ATOM 0 HB2 LEU A 17 -5.837 -8.911 8.410 1.00 32.11 H new ATOM 0 HB3 LEU A 17 -7.086 -9.541 9.465 1.00 32.11 H new ATOM 0 HG LEU A 17 -6.519 -11.859 8.628 1.00 0.45 H new ATOM 0 HD11 LEU A 17 -4.325 -12.154 7.551 1.00 52.01 H new ATOM 0 HD12 LEU A 17 -5.436 -11.207 6.532 1.00 52.01 H new ATOM 0 HD13 LEU A 17 -4.144 -10.387 7.442 1.00 52.01 H new ATOM 0 HD21 LEU A 17 -4.492 -12.045 10.012 1.00 11.21 H new ATOM 0 HD22 LEU A 17 -4.315 -10.274 9.986 1.00 11.21 H new ATOM 0 HD23 LEU A 17 -5.723 -11.017 10.783 1.00 11.21 H new ATOM 305 N PRO A 18 -9.578 -10.451 8.628 1.00 65.32 N ATOM 306 CA PRO A 18 -10.613 -11.437 8.998 1.00 74.54 C ATOM 307 C PRO A 18 -11.682 -11.662 7.927 1.00 25.20 C ATOM 308 O PRO A 18 -12.533 -12.544 8.069 1.00 55.23 O ATOM 309 CB PRO A 18 -11.257 -10.831 10.249 1.00 23.41 C ATOM 310 CG PRO A 18 -10.955 -9.377 10.175 1.00 75.22 C ATOM 311 CD PRO A 18 -9.611 -9.277 9.524 1.00 4.31 C ATOM 0 HA PRO A 18 -10.164 -12.420 9.142 1.00 74.54 H new ATOM 0 HB2 PRO A 18 -12.332 -11.010 10.265 1.00 23.41 H new ATOM 0 HB3 PRO A 18 -10.847 -11.273 11.157 1.00 23.41 H new ATOM 0 HG2 PRO A 18 -11.712 -8.849 9.595 1.00 75.22 H new ATOM 0 HG3 PRO A 18 -10.944 -8.928 11.168 1.00 75.22 H new ATOM 0 HD2 PRO A 18 -9.501 -8.345 8.970 1.00 4.31 H new ATOM 0 HD3 PRO A 18 -8.806 -9.308 10.258 1.00 4.31 H new ATOM 319 N HIS A 19 -11.642 -10.879 6.862 1.00 5.44 N ATOM 320 CA HIS A 19 -12.684 -10.943 5.842 1.00 53.11 C ATOM 321 C HIS A 19 -12.204 -11.685 4.602 1.00 13.24 C ATOM 322 O HIS A 19 -13.008 -12.053 3.748 1.00 45.34 O ATOM 323 CB HIS A 19 -13.143 -9.535 5.446 1.00 62.04 C ATOM 324 CG HIS A 19 -13.562 -8.688 6.606 1.00 52.31 C ATOM 325 ND1 HIS A 19 -14.824 -8.766 7.141 1.00 41.13 N ATOM 326 CD2 HIS A 19 -12.844 -7.775 7.294 1.00 23.10 C ATOM 327 CE1 HIS A 19 -14.841 -7.902 8.144 1.00 33.15 C ATOM 328 NE2 HIS A 19 -13.661 -7.276 8.271 1.00 45.43 N ATOM 0 H HIS A 19 -10.907 -10.196 6.679 1.00 5.44 H new ATOM 0 HA HIS A 19 -13.523 -11.489 6.272 1.00 53.11 H new ATOM 0 HB2 HIS A 19 -12.332 -9.034 4.916 1.00 62.04 H new ATOM 0 HB3 HIS A 19 -13.976 -9.617 4.748 1.00 62.04 H new ATOM 0 HD2 HIS A 19 -11.818 -7.492 7.108 1.00 23.10 H new ATOM 0 HE1 HIS A 19 -15.696 -7.724 8.779 1.00 33.15 H new ATOM 0 HE2 HIS A 19 -13.420 -6.566 8.962 1.00 45.43 H new ATOM 336 N VAL A 20 -10.902 -11.910 4.504 1.00 55.24 N ATOM 337 CA VAL A 20 -10.332 -12.496 3.300 1.00 44.22 C ATOM 338 C VAL A 20 -9.634 -13.817 3.597 1.00 73.03 C ATOM 339 O VAL A 20 -9.594 -14.274 4.741 1.00 63.21 O ATOM 340 CB VAL A 20 -9.326 -11.536 2.626 1.00 41.42 C ATOM 341 CG1 VAL A 20 -9.983 -10.199 2.300 1.00 21.42 C ATOM 342 CG2 VAL A 20 -8.095 -11.341 3.503 1.00 55.21 C ATOM 0 H VAL A 20 -10.225 -11.698 5.237 1.00 55.24 H new ATOM 0 HA VAL A 20 -11.164 -12.678 2.620 1.00 44.22 H new ATOM 0 HB VAL A 20 -9.004 -11.987 1.688 1.00 41.42 H new ATOM 0 HG11 VAL A 20 -9.254 -9.541 1.826 1.00 21.42 H new ATOM 0 HG12 VAL A 20 -10.820 -10.361 1.621 1.00 21.42 H new ATOM 0 HG13 VAL A 20 -10.345 -9.738 3.219 1.00 21.42 H new ATOM 0 HG21 VAL A 20 -7.400 -10.662 3.009 1.00 55.21 H new ATOM 0 HG22 VAL A 20 -8.395 -10.919 4.462 1.00 55.21 H new ATOM 0 HG23 VAL A 20 -7.608 -12.303 3.666 1.00 55.21 H new ATOM 352 N SER A 21 -9.101 -14.429 2.551 1.00 11.45 N ATOM 353 CA SER A 21 -8.346 -15.662 2.671 1.00 63.41 C ATOM 354 C SER A 21 -6.933 -15.458 2.133 1.00 51.21 C ATOM 355 O SER A 21 -6.571 -14.349 1.730 1.00 35.50 O ATOM 356 CB SER A 21 -9.058 -16.774 1.903 1.00 74.41 C ATOM 357 OG SER A 21 -10.404 -16.905 2.332 1.00 61.33 O ATOM 0 H SER A 21 -9.181 -14.083 1.595 1.00 11.45 H new ATOM 0 HA SER A 21 -8.278 -15.948 3.721 1.00 63.41 H new ATOM 0 HB2 SER A 21 -9.032 -16.558 0.835 1.00 74.41 H new ATOM 0 HB3 SER A 21 -8.532 -17.717 2.050 1.00 74.41 H new ATOM 0 HG SER A 21 -10.841 -17.621 1.826 1.00 61.33 H new ATOM 363 N GLU A 22 -6.147 -16.531 2.135 1.00 3.33 N ATOM 364 CA GLU A 22 -4.771 -16.503 1.640 1.00 44.31 C ATOM 365 C GLU A 22 -4.669 -15.858 0.264 1.00 13.41 C ATOM 366 O GLU A 22 -3.704 -15.159 -0.028 1.00 15.43 O ATOM 367 CB GLU A 22 -4.209 -17.918 1.566 1.00 23.15 C ATOM 368 CG GLU A 22 -3.973 -18.566 2.916 1.00 25.11 C ATOM 369 CD GLU A 22 -2.994 -17.803 3.781 1.00 41.03 C ATOM 370 OE1 GLU A 22 -2.139 -17.074 3.236 1.00 72.12 O ATOM 371 OE2 GLU A 22 -3.068 -17.937 5.023 1.00 54.33 O ATOM 0 H GLU A 22 -6.444 -17.444 2.479 1.00 3.33 H new ATOM 0 HA GLU A 22 -4.193 -15.903 2.343 1.00 44.31 H new ATOM 0 HB2 GLU A 22 -4.896 -18.540 0.993 1.00 23.15 H new ATOM 0 HB3 GLU A 22 -3.267 -17.894 1.018 1.00 23.15 H new ATOM 0 HG2 GLU A 22 -4.924 -18.650 3.442 1.00 25.11 H new ATOM 0 HG3 GLU A 22 -3.601 -19.579 2.765 1.00 25.11 H new ATOM 378 N SER A 23 -5.670 -16.094 -0.572 1.00 0.33 N ATOM 379 CA SER A 23 -5.676 -15.582 -1.932 1.00 64.52 C ATOM 380 C SER A 23 -5.539 -14.058 -1.956 1.00 45.33 C ATOM 381 O SER A 23 -4.763 -13.515 -2.740 1.00 12.33 O ATOM 382 CB SER A 23 -6.956 -16.032 -2.631 1.00 1.04 C ATOM 383 OG SER A 23 -7.106 -17.441 -2.524 1.00 62.22 O ATOM 0 H SER A 23 -6.495 -16.642 -0.328 1.00 0.33 H new ATOM 0 HA SER A 23 -4.815 -15.985 -2.466 1.00 64.52 H new ATOM 0 HB2 SER A 23 -7.817 -15.533 -2.186 1.00 1.04 H new ATOM 0 HB3 SER A 23 -6.927 -15.741 -3.681 1.00 1.04 H new ATOM 0 HG SER A 23 -7.931 -17.717 -2.975 1.00 62.22 H new ATOM 389 N THR A 24 -6.270 -13.374 -1.081 1.00 73.03 N ATOM 390 CA THR A 24 -6.164 -11.925 -0.982 1.00 53.44 C ATOM 391 C THR A 24 -4.942 -11.533 -0.149 1.00 21.04 C ATOM 392 O THR A 24 -4.318 -10.497 -0.391 1.00 22.12 O ATOM 393 CB THR A 24 -7.436 -11.312 -0.363 1.00 42.43 C ATOM 394 OG1 THR A 24 -8.596 -11.774 -1.067 1.00 52.32 O ATOM 395 CG2 THR A 24 -7.393 -9.792 -0.410 1.00 10.43 C ATOM 0 H THR A 24 -6.937 -13.797 -0.436 1.00 73.03 H new ATOM 0 HA THR A 24 -6.050 -11.532 -1.992 1.00 53.44 H new ATOM 0 HB THR A 24 -7.486 -11.627 0.679 1.00 42.43 H new ATOM 0 HG1 THR A 24 -9.400 -11.381 -0.667 1.00 52.32 H new ATOM 0 HG21 THR A 24 -8.303 -9.388 0.034 1.00 10.43 H new ATOM 0 HG22 THR A 24 -6.528 -9.435 0.149 1.00 10.43 H new ATOM 0 HG23 THR A 24 -7.317 -9.462 -1.446 1.00 10.43 H new ATOM 403 N LYS A 25 -4.597 -12.381 0.820 1.00 42.04 N ATOM 404 CA LYS A 25 -3.417 -12.163 1.654 1.00 53.01 C ATOM 405 C LYS A 25 -2.166 -12.046 0.796 1.00 45.05 C ATOM 406 O LYS A 25 -1.321 -11.190 1.044 1.00 53.32 O ATOM 407 CB LYS A 25 -3.242 -13.302 2.662 1.00 12.23 C ATOM 408 CG LYS A 25 -4.295 -13.319 3.760 1.00 3.53 C ATOM 409 CD LYS A 25 -4.149 -14.514 4.698 1.00 61.42 C ATOM 410 CE LYS A 25 -2.873 -14.461 5.534 1.00 3.52 C ATOM 411 NZ LYS A 25 -1.672 -14.935 4.792 1.00 70.45 N ATOM 0 H LYS A 25 -5.120 -13.227 1.046 1.00 42.04 H new ATOM 0 HA LYS A 25 -3.564 -11.230 2.198 1.00 53.01 H new ATOM 0 HB2 LYS A 25 -3.270 -14.253 2.130 1.00 12.23 H new ATOM 0 HB3 LYS A 25 -2.256 -13.222 3.119 1.00 12.23 H new ATOM 0 HG2 LYS A 25 -4.226 -12.398 4.338 1.00 3.53 H new ATOM 0 HG3 LYS A 25 -5.286 -13.337 3.307 1.00 3.53 H new ATOM 0 HD2 LYS A 25 -5.012 -14.555 5.363 1.00 61.42 H new ATOM 0 HD3 LYS A 25 -4.155 -15.433 4.111 1.00 61.42 H new ATOM 0 HE2 LYS A 25 -2.706 -13.437 5.868 1.00 3.52 H new ATOM 0 HE3 LYS A 25 -3.005 -15.070 6.428 1.00 3.52 H new ATOM 0 HZ1 LYS A 25 -1.145 -15.611 5.380 1.00 70.45 H new ATOM 0 HZ2 LYS A 25 -1.970 -15.401 3.911 1.00 70.45 H new ATOM 0 HZ3 LYS A 25 -1.061 -14.124 4.566 1.00 70.45 H new ATOM 425 N ARG A 26 -2.066 -12.897 -0.223 1.00 23.23 N ATOM 426 CA ARG A 26 -0.923 -12.880 -1.135 1.00 22.03 C ATOM 427 C ARG A 26 -0.724 -11.491 -1.728 1.00 20.03 C ATOM 428 O ARG A 26 0.394 -10.976 -1.762 1.00 13.42 O ATOM 429 CB ARG A 26 -1.116 -13.887 -2.270 1.00 42.32 C ATOM 430 CG ARG A 26 -1.282 -15.324 -1.806 1.00 21.03 C ATOM 431 CD ARG A 26 -1.482 -16.261 -2.986 1.00 71.32 C ATOM 432 NE ARG A 26 -1.805 -17.626 -2.569 1.00 54.34 N ATOM 433 CZ ARG A 26 -1.199 -18.712 -3.049 1.00 24.03 C ATOM 434 NH1 ARG A 26 -0.193 -18.594 -3.908 1.00 33.12 N ATOM 435 NH2 ARG A 26 -1.595 -19.918 -2.661 1.00 21.43 N ATOM 0 H ARG A 26 -2.764 -13.609 -0.439 1.00 23.23 H new ATOM 0 HA ARG A 26 -0.040 -13.155 -0.558 1.00 22.03 H new ATOM 0 HB2 ARG A 26 -1.994 -13.600 -2.850 1.00 42.32 H new ATOM 0 HB3 ARG A 26 -0.259 -13.830 -2.941 1.00 42.32 H new ATOM 0 HG2 ARG A 26 -0.403 -15.630 -1.240 1.00 21.03 H new ATOM 0 HG3 ARG A 26 -2.136 -15.395 -1.132 1.00 21.03 H new ATOM 0 HD2 ARG A 26 -2.283 -15.878 -3.618 1.00 71.32 H new ATOM 0 HD3 ARG A 26 -0.577 -16.274 -3.593 1.00 71.32 H new ATOM 0 HE ARG A 26 -2.537 -17.754 -1.870 1.00 54.34 H new ATOM 0 HH11 ARG A 26 0.119 -17.669 -4.204 1.00 33.12 H new ATOM 0 HH12 ARG A 26 0.267 -19.428 -4.272 1.00 33.12 H new ATOM 0 HH21 ARG A 26 -2.363 -20.013 -1.996 1.00 21.43 H new ATOM 0 HH22 ARG A 26 -1.132 -20.749 -3.028 1.00 21.43 H new ATOM 449 N HIS A 27 -1.814 -10.882 -2.177 1.00 33.14 N ATOM 450 CA HIS A 27 -1.753 -9.557 -2.784 1.00 21.02 C ATOM 451 C HIS A 27 -1.318 -8.511 -1.765 1.00 60.21 C ATOM 452 O HIS A 27 -0.407 -7.730 -2.027 1.00 3.21 O ATOM 453 CB HIS A 27 -3.102 -9.167 -3.396 1.00 0.14 C ATOM 454 CG HIS A 27 -3.484 -9.986 -4.592 1.00 13.30 C ATOM 455 ND1 HIS A 27 -3.056 -9.654 -5.856 1.00 32.23 N ATOM 456 CD2 HIS A 27 -4.250 -11.099 -4.665 1.00 21.04 C ATOM 457 CE1 HIS A 27 -3.570 -10.564 -6.663 1.00 53.04 C ATOM 458 NE2 HIS A 27 -4.300 -11.461 -5.988 1.00 5.22 N ATOM 0 H HIS A 27 -2.751 -11.283 -2.133 1.00 33.14 H new ATOM 0 HA HIS A 27 -1.011 -9.595 -3.582 1.00 21.02 H new ATOM 0 HB2 HIS A 27 -3.877 -9.267 -2.636 1.00 0.14 H new ATOM 0 HB3 HIS A 27 -3.070 -8.116 -3.682 1.00 0.14 H new ATOM 0 HD2 HIS A 27 -4.730 -11.605 -3.841 1.00 21.04 H new ATOM 0 HE1 HIS A 27 -3.421 -10.583 -7.732 1.00 53.04 H new ATOM 0 HE2 HIS A 27 -4.798 -12.260 -6.381 1.00 5.22 H new ATOM 466 N TYR A 28 -1.962 -8.513 -0.602 1.00 21.44 N ATOM 467 CA TYR A 28 -1.643 -7.556 0.453 1.00 2.21 C ATOM 468 C TYR A 28 -0.203 -7.706 0.936 1.00 34.10 C ATOM 469 O TYR A 28 0.515 -6.718 1.071 1.00 4.01 O ATOM 470 CB TYR A 28 -2.592 -7.715 1.637 1.00 54.11 C ATOM 471 CG TYR A 28 -3.872 -6.920 1.524 1.00 4.32 C ATOM 472 CD1 TYR A 28 -3.921 -5.596 1.947 1.00 70.31 C ATOM 473 CD2 TYR A 28 -5.034 -7.491 1.025 1.00 2.21 C ATOM 474 CE1 TYR A 28 -5.091 -4.866 1.876 1.00 71.40 C ATOM 475 CE2 TYR A 28 -6.208 -6.765 0.946 1.00 45.41 C ATOM 476 CZ TYR A 28 -6.231 -5.454 1.374 1.00 62.44 C ATOM 477 OH TYR A 28 -7.403 -4.731 1.308 1.00 14.44 O ATOM 0 H TYR A 28 -2.708 -9.167 -0.366 1.00 21.44 H new ATOM 0 HA TYR A 28 -1.762 -6.561 0.024 1.00 2.21 H new ATOM 0 HB2 TYR A 28 -2.843 -8.770 1.747 1.00 54.11 H new ATOM 0 HB3 TYR A 28 -2.072 -7.415 2.547 1.00 54.11 H new ATOM 0 HD1 TYR A 28 -3.028 -5.131 2.338 1.00 70.31 H new ATOM 0 HD2 TYR A 28 -5.021 -8.519 0.693 1.00 2.21 H new ATOM 0 HE1 TYR A 28 -5.112 -3.840 2.212 1.00 71.40 H new ATOM 0 HE2 TYR A 28 -7.103 -7.222 0.551 1.00 45.41 H new ATOM 0 HH TYR A 28 -7.463 -4.283 0.438 1.00 14.44 H new ATOM 487 N GLU A 29 0.211 -8.942 1.191 1.00 11.52 N ATOM 488 CA GLU A 29 1.546 -9.217 1.717 1.00 10.01 C ATOM 489 C GLU A 29 2.637 -8.781 0.744 1.00 34.12 C ATOM 490 O GLU A 29 3.587 -8.110 1.138 1.00 21.41 O ATOM 491 CB GLU A 29 1.699 -10.702 2.046 1.00 32.44 C ATOM 492 CG GLU A 29 0.894 -11.142 3.260 1.00 11.32 C ATOM 493 CD GLU A 29 0.980 -12.634 3.506 1.00 63.02 C ATOM 494 OE1 GLU A 29 2.110 -13.167 3.572 1.00 55.14 O ATOM 495 OE2 GLU A 29 -0.082 -13.282 3.607 1.00 45.12 O ATOM 0 H GLU A 29 -0.360 -9.774 1.042 1.00 11.52 H new ATOM 0 HA GLU A 29 1.661 -8.636 2.632 1.00 10.01 H new ATOM 0 HB2 GLU A 29 1.390 -11.291 1.182 1.00 32.44 H new ATOM 0 HB3 GLU A 29 2.753 -10.921 2.220 1.00 32.44 H new ATOM 0 HG2 GLU A 29 1.253 -10.611 4.141 1.00 11.32 H new ATOM 0 HG3 GLU A 29 -0.150 -10.860 3.121 1.00 11.32 H new ATOM 502 N SER A 30 2.506 -9.158 -0.524 1.00 24.31 N ATOM 503 CA SER A 30 3.496 -8.776 -1.525 1.00 3.03 C ATOM 504 C SER A 30 3.457 -7.272 -1.787 1.00 61.42 C ATOM 505 O SER A 30 4.484 -6.662 -2.091 1.00 24.02 O ATOM 506 CB SER A 30 3.286 -9.560 -2.820 1.00 12.34 C ATOM 507 OG SER A 30 1.949 -9.463 -3.282 1.00 32.35 O ATOM 0 H SER A 30 1.734 -9.721 -0.880 1.00 24.31 H new ATOM 0 HA SER A 30 4.483 -9.022 -1.135 1.00 3.03 H new ATOM 0 HB2 SER A 30 3.964 -9.184 -3.587 1.00 12.34 H new ATOM 0 HB3 SER A 30 3.539 -10.607 -2.656 1.00 12.34 H new ATOM 0 HG SER A 30 1.430 -10.223 -2.945 1.00 32.35 H new ATOM 513 N ALA A 31 2.279 -6.673 -1.656 1.00 52.44 N ATOM 514 CA ALA A 31 2.144 -5.229 -1.764 1.00 53.02 C ATOM 515 C ALA A 31 2.860 -4.551 -0.604 1.00 73.14 C ATOM 516 O ALA A 31 3.673 -3.651 -0.805 1.00 52.25 O ATOM 517 CB ALA A 31 0.677 -4.835 -1.791 1.00 13.22 C ATOM 0 H ALA A 31 1.405 -7.167 -1.475 1.00 52.44 H new ATOM 0 HA ALA A 31 2.603 -4.901 -2.697 1.00 53.02 H new ATOM 0 HB1 ALA A 31 0.593 -3.751 -1.872 1.00 13.22 H new ATOM 0 HB2 ALA A 31 0.191 -5.302 -2.647 1.00 13.22 H new ATOM 0 HB3 ALA A 31 0.194 -5.169 -0.873 1.00 13.22 H new ATOM 523 N TYR A 32 2.558 -5.011 0.603 1.00 42.53 N ATOM 524 CA TYR A 32 3.215 -4.537 1.816 1.00 25.42 C ATOM 525 C TYR A 32 4.725 -4.755 1.734 1.00 45.23 C ATOM 526 O TYR A 32 5.509 -3.935 2.206 1.00 5.04 O ATOM 527 CB TYR A 32 2.615 -5.263 3.034 1.00 21.41 C ATOM 528 CG TYR A 32 3.498 -5.296 4.265 1.00 32.22 C ATOM 529 CD1 TYR A 32 3.837 -4.135 4.945 1.00 34.32 C ATOM 530 CD2 TYR A 32 3.988 -6.504 4.746 1.00 65.21 C ATOM 531 CE1 TYR A 32 4.640 -4.177 6.070 1.00 4.04 C ATOM 532 CE2 TYR A 32 4.790 -6.552 5.868 1.00 24.43 C ATOM 533 CZ TYR A 32 5.114 -5.388 6.526 1.00 12.21 C ATOM 534 OH TYR A 32 5.915 -5.437 7.644 1.00 33.12 O ATOM 0 H TYR A 32 1.849 -5.725 0.770 1.00 42.53 H new ATOM 0 HA TYR A 32 3.046 -3.466 1.923 1.00 25.42 H new ATOM 0 HB2 TYR A 32 1.672 -4.782 3.295 1.00 21.41 H new ATOM 0 HB3 TYR A 32 2.381 -6.288 2.747 1.00 21.41 H new ATOM 0 HD1 TYR A 32 3.468 -3.184 4.590 1.00 34.32 H new ATOM 0 HD2 TYR A 32 3.737 -7.421 4.233 1.00 65.21 H new ATOM 0 HE1 TYR A 32 4.895 -3.265 6.589 1.00 4.04 H new ATOM 0 HE2 TYR A 32 5.162 -7.500 6.228 1.00 24.43 H new ATOM 0 HH TYR A 32 6.161 -6.367 7.830 1.00 33.12 H new ATOM 544 N LYS A 33 5.118 -5.856 1.114 1.00 21.13 N ATOM 545 CA LYS A 33 6.525 -6.177 0.943 1.00 1.42 C ATOM 546 C LYS A 33 7.193 -5.164 0.017 1.00 22.43 C ATOM 547 O LYS A 33 8.290 -4.697 0.299 1.00 62.10 O ATOM 548 CB LYS A 33 6.669 -7.592 0.383 1.00 34.32 C ATOM 549 CG LYS A 33 8.073 -8.158 0.489 1.00 2.23 C ATOM 550 CD LYS A 33 8.118 -9.603 0.026 1.00 40.24 C ATOM 551 CE LYS A 33 9.458 -10.243 0.347 1.00 72.14 C ATOM 552 NZ LYS A 33 9.510 -11.666 -0.071 1.00 33.03 N ATOM 0 H LYS A 33 4.478 -6.545 0.719 1.00 21.13 H new ATOM 0 HA LYS A 33 7.020 -6.130 1.913 1.00 1.42 H new ATOM 0 HB2 LYS A 33 5.981 -8.252 0.911 1.00 34.32 H new ATOM 0 HB3 LYS A 33 6.367 -7.590 -0.664 1.00 34.32 H new ATOM 0 HG2 LYS A 33 8.756 -7.559 -0.113 1.00 2.23 H new ATOM 0 HG3 LYS A 33 8.417 -8.093 1.521 1.00 2.23 H new ATOM 0 HD2 LYS A 33 7.319 -10.167 0.507 1.00 40.24 H new ATOM 0 HD3 LYS A 33 7.938 -9.649 -1.048 1.00 40.24 H new ATOM 0 HE2 LYS A 33 10.253 -9.689 -0.153 1.00 72.14 H new ATOM 0 HE3 LYS A 33 9.646 -10.173 1.418 1.00 72.14 H new ATOM 0 HZ1 LYS A 33 10.441 -12.064 0.166 1.00 33.03 H new ATOM 0 HZ2 LYS A 33 8.768 -12.201 0.425 1.00 33.03 H new ATOM 0 HZ3 LYS A 33 9.357 -11.732 -1.098 1.00 33.03 H new ATOM 566 N HIS A 34 6.519 -4.821 -1.079 1.00 3.02 N ATOM 567 CA HIS A 34 7.006 -3.785 -1.990 1.00 0.02 C ATOM 568 C HIS A 34 7.026 -2.427 -1.300 1.00 23.31 C ATOM 569 O HIS A 34 7.923 -1.613 -1.532 1.00 2.14 O ATOM 570 CB HIS A 34 6.146 -3.709 -3.254 1.00 13.21 C ATOM 571 CG HIS A 34 6.634 -4.581 -4.364 1.00 25.10 C ATOM 572 ND1 HIS A 34 7.305 -4.105 -5.470 1.00 14.31 N ATOM 573 CD2 HIS A 34 6.541 -5.922 -4.533 1.00 43.40 C ATOM 574 CE1 HIS A 34 7.595 -5.147 -6.256 1.00 64.34 C ATOM 575 NE2 HIS A 34 7.154 -6.276 -5.731 1.00 54.54 N ATOM 0 H HIS A 34 5.634 -5.245 -1.358 1.00 3.02 H new ATOM 0 HA HIS A 34 8.022 -4.054 -2.278 1.00 0.02 H new ATOM 0 HB2 HIS A 34 5.123 -3.991 -3.005 1.00 13.21 H new ATOM 0 HB3 HIS A 34 6.116 -2.676 -3.601 1.00 13.21 H new ATOM 0 HD1 HIS A 34 7.539 -3.130 -5.656 1.00 14.31 H new ATOM 0 HD2 HIS A 34 6.066 -6.608 -3.847 1.00 43.40 H new ATOM 0 HE1 HIS A 34 8.121 -5.075 -7.197 1.00 64.34 H new ATOM 583 N ILE A 35 6.026 -2.187 -0.462 1.00 40.24 N ATOM 584 CA ILE A 35 5.964 -0.965 0.324 1.00 12.40 C ATOM 585 C ILE A 35 7.152 -0.886 1.271 1.00 62.22 C ATOM 586 O ILE A 35 7.864 0.109 1.293 1.00 25.04 O ATOM 587 CB ILE A 35 4.650 -0.868 1.129 1.00 64.52 C ATOM 588 CG1 ILE A 35 3.464 -0.723 0.175 1.00 23.43 C ATOM 589 CG2 ILE A 35 4.705 0.303 2.100 1.00 1.33 C ATOM 590 CD1 ILE A 35 2.122 -0.729 0.867 1.00 53.31 C ATOM 0 H ILE A 35 5.245 -2.825 -0.310 1.00 40.24 H new ATOM 0 HA ILE A 35 5.996 -0.127 -0.373 1.00 12.40 H new ATOM 0 HB ILE A 35 4.523 -1.783 1.708 1.00 64.52 H new ATOM 0 HG12 ILE A 35 3.570 0.207 -0.383 1.00 23.43 H new ATOM 0 HG13 ILE A 35 3.492 -1.536 -0.551 1.00 23.43 H new ATOM 0 HG21 ILE A 35 3.771 0.356 2.659 1.00 1.33 H new ATOM 0 HG22 ILE A 35 5.535 0.163 2.793 1.00 1.33 H new ATOM 0 HG23 ILE A 35 4.849 1.230 1.545 1.00 1.33 H new ATOM 0 HD11 ILE A 35 1.330 -0.622 0.126 1.00 53.31 H new ATOM 0 HD12 ILE A 35 1.993 -1.669 1.403 1.00 53.31 H new ATOM 0 HD13 ILE A 35 2.073 0.100 1.573 1.00 53.31 H new ATOM 602 N LYS A 36 7.376 -1.955 2.023 1.00 3.20 N ATOM 603 CA LYS A 36 8.490 -2.019 2.962 1.00 20.14 C ATOM 604 C LYS A 36 9.823 -1.983 2.217 1.00 40.54 C ATOM 605 O LYS A 36 10.834 -1.524 2.745 1.00 11.24 O ATOM 606 CB LYS A 36 8.395 -3.291 3.813 1.00 12.40 C ATOM 607 CG LYS A 36 9.370 -3.313 4.980 1.00 71.55 C ATOM 608 CD LYS A 36 9.231 -4.573 5.818 1.00 22.15 C ATOM 609 CE LYS A 36 9.604 -5.817 5.033 1.00 52.13 C ATOM 610 NZ LYS A 36 9.619 -7.028 5.894 1.00 41.31 N ATOM 0 H LYS A 36 6.798 -2.795 2.001 1.00 3.20 H new ATOM 0 HA LYS A 36 8.437 -1.151 3.619 1.00 20.14 H new ATOM 0 HB2 LYS A 36 7.379 -3.387 4.196 1.00 12.40 H new ATOM 0 HB3 LYS A 36 8.580 -4.158 3.179 1.00 12.40 H new ATOM 0 HG2 LYS A 36 10.390 -3.241 4.601 1.00 71.55 H new ATOM 0 HG3 LYS A 36 9.201 -2.439 5.609 1.00 71.55 H new ATOM 0 HD2 LYS A 36 9.868 -4.495 6.699 1.00 22.15 H new ATOM 0 HD3 LYS A 36 8.204 -4.662 6.173 1.00 22.15 H new ATOM 0 HE2 LYS A 36 8.894 -5.959 4.218 1.00 52.13 H new ATOM 0 HE3 LYS A 36 10.586 -5.680 4.580 1.00 52.13 H new ATOM 0 HZ1 LYS A 36 9.878 -7.857 5.322 1.00 41.31 H new ATOM 0 HZ2 LYS A 36 10.314 -6.903 6.657 1.00 41.31 H new ATOM 0 HZ3 LYS A 36 8.675 -7.173 6.306 1.00 41.31 H new ATOM 624 N ASP A 37 9.812 -2.473 0.987 1.00 52.33 N ATOM 625 CA ASP A 37 11.001 -2.487 0.145 1.00 22.43 C ATOM 626 C ASP A 37 11.396 -1.072 -0.276 1.00 50.25 C ATOM 627 O ASP A 37 12.579 -0.725 -0.297 1.00 64.43 O ATOM 628 CB ASP A 37 10.743 -3.347 -1.094 1.00 23.33 C ATOM 629 CG ASP A 37 11.951 -3.448 -1.996 1.00 42.34 C ATOM 630 OD1 ASP A 37 12.845 -4.269 -1.704 1.00 4.25 O ATOM 631 OD2 ASP A 37 12.009 -2.716 -3.006 1.00 34.53 O ATOM 0 H ASP A 37 8.983 -2.871 0.545 1.00 52.33 H new ATOM 0 HA ASP A 37 11.824 -2.910 0.720 1.00 22.43 H new ATOM 0 HB2 ASP A 37 10.444 -4.347 -0.781 1.00 23.33 H new ATOM 0 HB3 ASP A 37 9.909 -2.926 -1.656 1.00 23.33 H new ATOM 636 N HIS A 38 10.402 -0.264 -0.619 1.00 31.24 N ATOM 637 CA HIS A 38 10.644 1.114 -1.042 1.00 4.20 C ATOM 638 C HIS A 38 10.684 2.063 0.148 1.00 24.44 C ATOM 639 O HIS A 38 11.503 2.982 0.198 1.00 12.42 O ATOM 640 CB HIS A 38 9.584 1.569 -2.046 1.00 73.31 C ATOM 641 CG HIS A 38 9.791 1.014 -3.424 1.00 31.03 C ATOM 642 ND1 HIS A 38 10.014 1.807 -4.527 1.00 14.22 N ATOM 643 CD2 HIS A 38 9.814 -0.265 -3.872 1.00 70.14 C ATOM 644 CE1 HIS A 38 10.164 1.044 -5.593 1.00 62.43 C ATOM 645 NE2 HIS A 38 10.049 -0.220 -5.225 1.00 73.41 N ATOM 0 H HIS A 38 9.419 -0.536 -0.614 1.00 31.24 H new ATOM 0 HA HIS A 38 11.619 1.140 -1.528 1.00 4.20 H new ATOM 0 HB2 HIS A 38 8.600 1.269 -1.685 1.00 73.31 H new ATOM 0 HB3 HIS A 38 9.586 2.658 -2.097 1.00 73.31 H new ATOM 0 HD2 HIS A 38 9.674 -1.155 -3.276 1.00 70.14 H new ATOM 0 HE1 HIS A 38 10.350 1.394 -6.598 1.00 62.43 H new ATOM 0 HE2 HIS A 38 10.123 -1.028 -5.843 1.00 73.41 H new ATOM 654 N PHE A 39 9.798 1.836 1.099 1.00 25.34 N ATOM 655 CA PHE A 39 9.719 2.653 2.297 1.00 4.30 C ATOM 656 C PHE A 39 9.883 1.771 3.528 1.00 51.53 C ATOM 657 O PHE A 39 8.912 1.210 4.034 1.00 20.51 O ATOM 658 CB PHE A 39 8.376 3.389 2.360 1.00 70.12 C ATOM 659 CG PHE A 39 8.061 4.200 1.133 1.00 43.33 C ATOM 660 CD1 PHE A 39 8.731 5.386 0.877 1.00 14.05 C ATOM 661 CD2 PHE A 39 7.091 3.776 0.238 1.00 33.31 C ATOM 662 CE1 PHE A 39 8.439 6.133 -0.247 1.00 50.33 C ATOM 663 CE2 PHE A 39 6.795 4.520 -0.888 1.00 24.13 C ATOM 664 CZ PHE A 39 7.469 5.700 -1.129 1.00 12.02 C ATOM 0 H PHE A 39 9.113 1.081 1.064 1.00 25.34 H new ATOM 0 HA PHE A 39 10.518 3.393 2.270 1.00 4.30 H new ATOM 0 HB2 PHE A 39 7.581 2.659 2.514 1.00 70.12 H new ATOM 0 HB3 PHE A 39 8.376 4.048 3.228 1.00 70.12 H new ATOM 0 HD1 PHE A 39 9.490 5.730 1.564 1.00 14.05 H new ATOM 0 HD2 PHE A 39 6.561 2.854 0.423 1.00 33.31 H new ATOM 0 HE1 PHE A 39 8.969 7.055 -0.436 1.00 50.33 H new ATOM 0 HE2 PHE A 39 6.038 4.179 -1.578 1.00 24.13 H new ATOM 0 HZ PHE A 39 7.238 6.285 -2.007 1.00 12.02 H new ATOM 674 N ARG A 40 11.113 1.638 3.991 1.00 10.50 N ATOM 675 CA ARG A 40 11.417 0.749 5.103 1.00 52.52 C ATOM 676 C ARG A 40 10.981 1.366 6.423 1.00 50.52 C ATOM 677 O ARG A 40 10.254 0.752 7.204 1.00 61.30 O ATOM 678 CB ARG A 40 12.912 0.431 5.137 1.00 44.24 C ATOM 679 CG ARG A 40 13.410 -0.240 3.869 1.00 41.34 C ATOM 680 CD ARG A 40 14.854 -0.696 3.999 1.00 12.04 C ATOM 681 NE ARG A 40 15.056 -1.556 5.167 1.00 60.21 N ATOM 682 CZ ARG A 40 14.628 -2.817 5.257 1.00 71.11 C ATOM 683 NH1 ARG A 40 13.962 -3.374 4.251 1.00 73.52 N ATOM 684 NH2 ARG A 40 14.872 -3.517 6.357 1.00 33.14 N ATOM 0 H ARG A 40 11.921 2.135 3.615 1.00 10.50 H new ATOM 0 HA ARG A 40 10.863 -0.179 4.958 1.00 52.52 H new ATOM 0 HB2 ARG A 40 13.470 1.354 5.295 1.00 44.24 H new ATOM 0 HB3 ARG A 40 13.120 -0.217 5.989 1.00 44.24 H new ATOM 0 HG2 ARG A 40 12.778 -1.098 3.640 1.00 41.34 H new ATOM 0 HG3 ARG A 40 13.322 0.453 3.033 1.00 41.34 H new ATOM 0 HD2 ARG A 40 15.146 -1.235 3.098 1.00 12.04 H new ATOM 0 HD3 ARG A 40 15.504 0.176 4.074 1.00 12.04 H new ATOM 0 HE ARG A 40 15.557 -1.165 5.965 1.00 60.21 H new ATOM 0 HH11 ARG A 40 13.775 -2.837 3.404 1.00 73.52 H new ATOM 0 HH12 ARG A 40 13.638 -4.338 4.326 1.00 73.52 H new ATOM 0 HH21 ARG A 40 15.385 -3.091 7.129 1.00 33.14 H new ATOM 0 HH22 ARG A 40 14.547 -4.481 6.431 1.00 33.14 H new ATOM 698 N HIS A 41 11.423 2.588 6.667 1.00 75.42 N ATOM 699 CA HIS A 41 11.059 3.295 7.882 1.00 4.31 C ATOM 700 C HIS A 41 10.606 4.705 7.548 1.00 62.44 C ATOM 701 O HIS A 41 10.640 5.604 8.385 1.00 4.33 O ATOM 702 CB HIS A 41 12.230 3.319 8.865 1.00 23.22 C ATOM 703 CG HIS A 41 11.897 2.680 10.178 1.00 71.01 C ATOM 704 ND1 HIS A 41 12.202 3.246 11.395 1.00 62.10 N ATOM 705 CD2 HIS A 41 11.265 1.515 10.456 1.00 41.43 C ATOM 706 CE1 HIS A 41 11.771 2.460 12.364 1.00 3.40 C ATOM 707 NE2 HIS A 41 11.196 1.401 11.824 1.00 32.15 N ATOM 0 H HIS A 41 12.034 3.111 6.040 1.00 75.42 H new ATOM 0 HA HIS A 41 10.232 2.768 8.358 1.00 4.31 H new ATOM 0 HB2 HIS A 41 13.082 2.804 8.421 1.00 23.22 H new ATOM 0 HB3 HIS A 41 12.535 4.352 9.035 1.00 23.22 H new ATOM 0 HD2 HIS A 41 10.885 0.806 9.735 1.00 41.43 H new ATOM 0 HE1 HIS A 41 11.872 2.651 13.422 1.00 3.40 H new ATOM 0 HE2 HIS A 41 10.772 0.628 12.336 1.00 32.15 H new ATOM 716 N LYS A 42 10.165 4.875 6.311 1.00 43.51 N ATOM 717 CA LYS A 42 9.633 6.145 5.845 1.00 61.51 C ATOM 718 C LYS A 42 8.314 6.437 6.556 1.00 23.00 C ATOM 719 O LYS A 42 7.402 5.604 6.554 1.00 20.12 O ATOM 720 CB LYS A 42 9.411 6.074 4.334 1.00 23.44 C ATOM 721 CG LYS A 42 9.407 7.416 3.623 1.00 5.12 C ATOM 722 CD LYS A 42 10.787 8.045 3.618 1.00 2.21 C ATOM 723 CE LYS A 42 11.017 8.878 2.365 1.00 45.45 C ATOM 724 NZ LYS A 42 9.995 9.945 2.198 1.00 70.31 N ATOM 0 H LYS A 42 10.166 4.139 5.605 1.00 43.51 H new ATOM 0 HA LYS A 42 10.339 6.945 6.067 1.00 61.51 H new ATOM 0 HB2 LYS A 42 10.190 5.450 3.896 1.00 23.44 H new ATOM 0 HB3 LYS A 42 8.460 5.576 4.144 1.00 23.44 H new ATOM 0 HG2 LYS A 42 9.062 7.285 2.597 1.00 5.12 H new ATOM 0 HG3 LYS A 42 8.702 8.087 4.113 1.00 5.12 H new ATOM 0 HD2 LYS A 42 10.904 8.674 4.501 1.00 2.21 H new ATOM 0 HD3 LYS A 42 11.544 7.263 3.680 1.00 2.21 H new ATOM 0 HE2 LYS A 42 12.007 9.331 2.410 1.00 45.45 H new ATOM 0 HE3 LYS A 42 11.004 8.226 1.491 1.00 45.45 H new ATOM 0 HZ1 LYS A 42 9.976 10.255 1.206 1.00 70.31 H new ATOM 0 HZ2 LYS A 42 9.060 9.575 2.463 1.00 70.31 H new ATOM 0 HZ3 LYS A 42 10.233 10.752 2.809 1.00 70.31 H new ATOM 738 N LEU A 43 8.223 7.607 7.176 1.00 63.40 N ATOM 739 CA LEU A 43 7.022 7.997 7.911 1.00 24.33 C ATOM 740 C LEU A 43 5.824 8.098 6.974 1.00 31.34 C ATOM 741 O LEU A 43 5.975 8.483 5.818 1.00 43.05 O ATOM 742 CB LEU A 43 7.237 9.343 8.610 1.00 13.14 C ATOM 743 CG LEU A 43 8.424 9.404 9.572 1.00 4.04 C ATOM 744 CD1 LEU A 43 8.555 10.801 10.154 1.00 62.52 C ATOM 745 CD2 LEU A 43 8.272 8.373 10.682 1.00 21.41 C ATOM 0 H LEU A 43 8.967 8.305 7.186 1.00 63.40 H new ATOM 0 HA LEU A 43 6.822 7.230 8.659 1.00 24.33 H new ATOM 0 HB2 LEU A 43 7.370 10.111 7.848 1.00 13.14 H new ATOM 0 HB3 LEU A 43 6.331 9.595 9.162 1.00 13.14 H new ATOM 0 HG LEU A 43 9.332 9.171 9.016 1.00 4.04 H new ATOM 0 HD11 LEU A 43 9.404 10.832 10.837 1.00 62.52 H new ATOM 0 HD12 LEU A 43 8.712 11.518 9.348 1.00 62.52 H new ATOM 0 HD13 LEU A 43 7.644 11.057 10.695 1.00 62.52 H new ATOM 0 HD21 LEU A 43 9.127 8.434 11.355 1.00 21.41 H new ATOM 0 HD22 LEU A 43 7.357 8.571 11.240 1.00 21.41 H new ATOM 0 HD23 LEU A 43 8.223 7.375 10.247 1.00 21.41 H new ATOM 757 N LEU A 44 4.645 7.764 7.489 1.00 22.54 N ATOM 758 CA LEU A 44 3.412 7.791 6.703 1.00 42.30 C ATOM 759 C LEU A 44 3.204 9.151 6.035 1.00 3.41 C ATOM 760 O LEU A 44 2.862 9.234 4.858 1.00 14.41 O ATOM 761 CB LEU A 44 2.217 7.468 7.607 1.00 60.14 C ATOM 762 CG LEU A 44 0.850 7.477 6.920 1.00 71.33 C ATOM 763 CD1 LEU A 44 0.737 6.323 5.939 1.00 32.52 C ATOM 764 CD2 LEU A 44 -0.263 7.405 7.951 1.00 75.34 C ATOM 0 H LEU A 44 4.515 7.468 8.457 1.00 22.54 H new ATOM 0 HA LEU A 44 3.495 7.040 5.917 1.00 42.30 H new ATOM 0 HB2 LEU A 44 2.375 6.485 8.051 1.00 60.14 H new ATOM 0 HB3 LEU A 44 2.198 8.188 8.425 1.00 60.14 H new ATOM 0 HG LEU A 44 0.751 8.411 6.367 1.00 71.33 H new ATOM 0 HD11 LEU A 44 -0.242 6.347 5.461 1.00 32.52 H new ATOM 0 HD12 LEU A 44 1.514 6.413 5.180 1.00 32.52 H new ATOM 0 HD13 LEU A 44 0.858 5.380 6.471 1.00 32.52 H new ATOM 0 HD21 LEU A 44 -1.229 7.412 7.445 1.00 75.34 H new ATOM 0 HD22 LEU A 44 -0.164 6.487 8.530 1.00 75.34 H new ATOM 0 HD23 LEU A 44 -0.197 8.264 8.619 1.00 75.34 H new ATOM 776 N LYS A 45 3.443 10.212 6.794 1.00 31.41 N ATOM 777 CA LYS A 45 3.260 11.573 6.303 1.00 64.34 C ATOM 778 C LYS A 45 4.434 12.024 5.437 1.00 51.03 C ATOM 779 O LYS A 45 4.413 13.122 4.879 1.00 30.34 O ATOM 780 CB LYS A 45 3.117 12.538 7.481 1.00 44.31 C ATOM 781 CG LYS A 45 4.298 12.485 8.441 1.00 2.24 C ATOM 782 CD LYS A 45 4.412 13.751 9.273 1.00 55.42 C ATOM 783 CE LYS A 45 4.612 14.972 8.391 1.00 65.12 C ATOM 784 NZ LYS A 45 4.935 16.185 9.186 1.00 12.31 N ATOM 0 H LYS A 45 3.767 10.156 7.760 1.00 31.41 H new ATOM 0 HA LYS A 45 2.356 11.581 5.694 1.00 64.34 H new ATOM 0 HB2 LYS A 45 3.011 13.554 7.100 1.00 44.31 H new ATOM 0 HB3 LYS A 45 2.202 12.304 8.026 1.00 44.31 H new ATOM 0 HG2 LYS A 45 4.190 11.625 9.102 1.00 2.24 H new ATOM 0 HG3 LYS A 45 5.218 12.338 7.876 1.00 2.24 H new ATOM 0 HD2 LYS A 45 3.511 13.877 9.874 1.00 55.42 H new ATOM 0 HD3 LYS A 45 5.248 13.659 9.967 1.00 55.42 H new ATOM 0 HE2 LYS A 45 5.416 14.779 7.681 1.00 65.12 H new ATOM 0 HE3 LYS A 45 3.708 15.150 7.808 1.00 65.12 H new ATOM 0 HZ1 LYS A 45 5.064 16.995 8.547 1.00 12.31 H new ATOM 0 HZ2 LYS A 45 4.156 16.385 9.846 1.00 12.31 H new ATOM 0 HZ3 LYS A 45 5.811 16.025 9.723 1.00 12.31 H new ATOM 798 N ASP A 46 5.460 11.187 5.331 1.00 62.13 N ATOM 799 CA ASP A 46 6.693 11.588 4.666 1.00 22.33 C ATOM 800 C ASP A 46 6.757 11.035 3.247 1.00 14.24 C ATOM 801 O ASP A 46 7.659 11.375 2.485 1.00 65.03 O ATOM 802 CB ASP A 46 7.912 11.129 5.473 1.00 5.21 C ATOM 803 CG ASP A 46 9.179 11.872 5.094 1.00 2.33 C ATOM 804 OD1 ASP A 46 9.284 13.076 5.417 1.00 21.21 O ATOM 805 OD2 ASP A 46 10.078 11.260 4.485 1.00 52.42 O ATOM 0 H ASP A 46 5.463 10.234 5.694 1.00 62.13 H new ATOM 0 HA ASP A 46 6.703 12.676 4.606 1.00 22.33 H new ATOM 0 HB2 ASP A 46 7.715 11.274 6.535 1.00 5.21 H new ATOM 0 HB3 ASP A 46 8.063 10.060 5.320 1.00 5.21 H new ATOM 810 N ILE A 47 5.803 10.177 2.898 1.00 12.22 N ATOM 811 CA ILE A 47 5.724 9.645 1.541 1.00 74.22 C ATOM 812 C ILE A 47 5.412 10.775 0.568 1.00 60.22 C ATOM 813 O ILE A 47 4.326 11.359 0.591 1.00 20.35 O ATOM 814 CB ILE A 47 4.667 8.504 1.402 1.00 62.44 C ATOM 815 CG1 ILE A 47 5.267 7.148 1.795 1.00 60.53 C ATOM 816 CG2 ILE A 47 4.125 8.420 -0.022 1.00 62.10 C ATOM 817 CD1 ILE A 47 5.803 7.083 3.202 1.00 12.45 C ATOM 0 H ILE A 47 5.079 9.837 3.531 1.00 12.22 H new ATOM 0 HA ILE A 47 6.693 9.205 1.305 1.00 74.22 H new ATOM 0 HB ILE A 47 3.847 8.744 2.079 1.00 62.44 H new ATOM 0 HG12 ILE A 47 4.504 6.379 1.675 1.00 60.53 H new ATOM 0 HG13 ILE A 47 6.073 6.908 1.102 1.00 60.53 H new ATOM 0 HG21 ILE A 47 3.392 7.616 -0.085 1.00 62.10 H new ATOM 0 HG22 ILE A 47 3.651 9.365 -0.287 1.00 62.10 H new ATOM 0 HG23 ILE A 47 4.944 8.219 -0.712 1.00 62.10 H new ATOM 0 HD11 ILE A 47 6.207 6.089 3.392 1.00 12.45 H new ATOM 0 HD12 ILE A 47 6.592 7.825 3.325 1.00 12.45 H new ATOM 0 HD13 ILE A 47 4.998 7.288 3.908 1.00 12.45 H new ATOM 829 N LYS A 48 6.389 11.110 -0.255 1.00 41.52 N ATOM 830 CA LYS A 48 6.219 12.161 -1.231 1.00 54.24 C ATOM 831 C LYS A 48 5.526 11.612 -2.470 1.00 23.30 C ATOM 832 O LYS A 48 5.726 10.456 -2.848 1.00 61.24 O ATOM 833 CB LYS A 48 7.577 12.780 -1.570 1.00 23.11 C ATOM 834 CG LYS A 48 8.281 13.350 -0.345 1.00 65.44 C ATOM 835 CD LYS A 48 9.720 13.751 -0.625 1.00 65.13 C ATOM 836 CE LYS A 48 9.810 14.907 -1.601 1.00 31.34 C ATOM 837 NZ LYS A 48 11.186 15.462 -1.658 1.00 35.20 N ATOM 0 H LYS A 48 7.308 10.667 -0.264 1.00 41.52 H new ATOM 0 HA LYS A 48 5.587 12.947 -0.817 1.00 54.24 H new ATOM 0 HB2 LYS A 48 8.212 12.024 -2.031 1.00 23.11 H new ATOM 0 HB3 LYS A 48 7.438 13.572 -2.306 1.00 23.11 H new ATOM 0 HG2 LYS A 48 7.730 14.219 0.013 1.00 65.44 H new ATOM 0 HG3 LYS A 48 8.264 12.610 0.455 1.00 65.44 H new ATOM 0 HD2 LYS A 48 10.207 14.028 0.310 1.00 65.13 H new ATOM 0 HD3 LYS A 48 10.263 12.895 -1.026 1.00 65.13 H new ATOM 0 HE2 LYS A 48 9.510 14.571 -2.594 1.00 31.34 H new ATOM 0 HE3 LYS A 48 9.112 15.690 -1.305 1.00 31.34 H new ATOM 0 HZ1 LYS A 48 11.214 16.251 -2.335 1.00 35.20 H new ATOM 0 HZ2 LYS A 48 11.462 15.804 -0.715 1.00 35.20 H new ATOM 0 HZ3 LYS A 48 11.847 14.720 -1.964 1.00 35.20 H new ATOM 851 N ARG A 49 4.705 12.444 -3.087 1.00 70.11 N ATOM 852 CA ARG A 49 3.903 12.036 -4.235 1.00 15.33 C ATOM 853 C ARG A 49 4.797 11.613 -5.393 1.00 42.34 C ATOM 854 O ARG A 49 4.442 10.739 -6.185 1.00 21.34 O ATOM 855 CB ARG A 49 2.985 13.186 -4.647 1.00 41.23 C ATOM 856 CG ARG A 49 2.246 13.783 -3.464 1.00 41.52 C ATOM 857 CD ARG A 49 1.446 15.019 -3.841 1.00 51.43 C ATOM 858 NE ARG A 49 1.242 15.902 -2.689 1.00 14.42 N ATOM 859 CZ ARG A 49 0.120 16.581 -2.440 1.00 4.42 C ATOM 860 NH1 ARG A 49 -0.953 16.424 -3.201 1.00 55.21 N ATOM 861 NH2 ARG A 49 0.059 17.406 -1.402 1.00 44.53 N ATOM 0 H ARG A 49 4.573 13.417 -2.811 1.00 70.11 H new ATOM 0 HA ARG A 49 3.292 11.177 -3.958 1.00 15.33 H new ATOM 0 HB2 ARG A 49 3.575 13.963 -5.134 1.00 41.23 H new ATOM 0 HB3 ARG A 49 2.263 12.827 -5.380 1.00 41.23 H new ATOM 0 HG2 ARG A 49 1.575 13.034 -3.043 1.00 41.52 H new ATOM 0 HG3 ARG A 49 2.963 14.042 -2.685 1.00 41.52 H new ATOM 0 HD2 ARG A 49 1.966 15.563 -4.630 1.00 51.43 H new ATOM 0 HD3 ARG A 49 0.479 14.718 -4.245 1.00 51.43 H new ATOM 0 HE ARG A 49 2.013 16.005 -2.030 1.00 14.42 H new ATOM 0 HH11 ARG A 49 -0.929 15.777 -3.989 1.00 55.21 H new ATOM 0 HH12 ARG A 49 -1.803 16.950 -2.998 1.00 55.21 H new ATOM 0 HH21 ARG A 49 0.870 17.521 -0.794 1.00 44.53 H new ATOM 0 HH22 ARG A 49 -0.799 17.925 -1.212 1.00 44.53 H new ATOM 875 N THR A 50 5.968 12.227 -5.468 1.00 1.42 N ATOM 876 CA THR A 50 6.948 11.895 -6.484 1.00 41.15 C ATOM 877 C THR A 50 7.558 10.513 -6.221 1.00 41.13 C ATOM 878 O THR A 50 7.979 9.818 -7.147 1.00 62.13 O ATOM 879 CB THR A 50 8.060 12.954 -6.521 1.00 1.25 C ATOM 880 OG1 THR A 50 7.532 14.216 -6.079 1.00 13.43 O ATOM 881 CG2 THR A 50 8.612 13.102 -7.931 1.00 15.33 C ATOM 0 H THR A 50 6.262 12.965 -4.829 1.00 1.42 H new ATOM 0 HA THR A 50 6.441 11.876 -7.449 1.00 41.15 H new ATOM 0 HB THR A 50 8.868 12.637 -5.861 1.00 1.25 H new ATOM 0 HG1 THR A 50 8.241 14.893 -6.100 1.00 13.43 H new ATOM 0 HG21 THR A 50 9.398 13.857 -7.936 1.00 15.33 H new ATOM 0 HG22 THR A 50 9.022 12.148 -8.263 1.00 15.33 H new ATOM 0 HG23 THR A 50 7.812 13.407 -8.605 1.00 15.33 H new ATOM 889 N GLU A 51 7.601 10.120 -4.949 1.00 35.24 N ATOM 890 CA GLU A 51 8.105 8.806 -4.564 1.00 64.41 C ATOM 891 C GLU A 51 7.068 7.743 -4.877 1.00 72.34 C ATOM 892 O GLU A 51 7.383 6.696 -5.443 1.00 33.24 O ATOM 893 CB GLU A 51 8.432 8.760 -3.072 1.00 0.34 C ATOM 894 CG GLU A 51 9.442 9.798 -2.627 1.00 23.45 C ATOM 895 CD GLU A 51 9.798 9.651 -1.164 1.00 64.52 C ATOM 896 OE1 GLU A 51 9.078 10.205 -0.312 1.00 2.34 O ATOM 897 OE2 GLU A 51 10.802 8.974 -0.864 1.00 14.42 O ATOM 0 H GLU A 51 7.291 10.696 -4.166 1.00 35.24 H new ATOM 0 HA GLU A 51 9.017 8.616 -5.130 1.00 64.41 H new ATOM 0 HB2 GLU A 51 7.511 8.898 -2.505 1.00 0.34 H new ATOM 0 HB3 GLU A 51 8.813 7.769 -2.825 1.00 0.34 H new ATOM 0 HG2 GLU A 51 10.345 9.708 -3.231 1.00 23.45 H new ATOM 0 HG3 GLU A 51 9.039 10.795 -2.804 1.00 23.45 H new ATOM 904 N TYR A 52 5.825 8.030 -4.503 1.00 64.03 N ATOM 905 CA TYR A 52 4.721 7.114 -4.741 1.00 61.42 C ATOM 906 C TYR A 52 4.537 6.865 -6.236 1.00 3.21 C ATOM 907 O TYR A 52 4.186 5.758 -6.650 1.00 41.40 O ATOM 908 CB TYR A 52 3.431 7.656 -4.120 1.00 20.25 C ATOM 909 CG TYR A 52 2.242 6.747 -4.326 1.00 32.25 C ATOM 910 CD1 TYR A 52 2.309 5.400 -3.988 1.00 4.21 C ATOM 911 CD2 TYR A 52 1.059 7.230 -4.866 1.00 63.04 C ATOM 912 CE1 TYR A 52 1.232 4.562 -4.189 1.00 42.13 C ATOM 913 CE2 TYR A 52 -0.024 6.397 -5.065 1.00 24.01 C ATOM 914 CZ TYR A 52 0.067 5.066 -4.727 1.00 72.51 C ATOM 915 OH TYR A 52 -1.008 4.234 -4.934 1.00 34.43 O ATOM 0 H TYR A 52 5.559 8.895 -4.032 1.00 64.03 H new ATOM 0 HA TYR A 52 4.958 6.162 -4.266 1.00 61.42 H new ATOM 0 HB2 TYR A 52 3.585 7.805 -3.051 1.00 20.25 H new ATOM 0 HB3 TYR A 52 3.211 8.633 -4.550 1.00 20.25 H new ATOM 0 HD1 TYR A 52 3.219 5.004 -3.561 1.00 4.21 H new ATOM 0 HD2 TYR A 52 0.984 8.273 -5.135 1.00 63.04 H new ATOM 0 HE1 TYR A 52 1.301 3.517 -3.926 1.00 42.13 H new ATOM 0 HE2 TYR A 52 -0.939 6.788 -5.484 1.00 24.01 H new ATOM 0 HH TYR A 52 -1.749 4.747 -5.318 1.00 34.43 H new ATOM 925 N GLN A 53 4.774 7.901 -7.037 1.00 5.10 N ATOM 926 CA GLN A 53 4.762 7.764 -8.491 1.00 33.50 C ATOM 927 C GLN A 53 5.721 6.645 -8.909 1.00 33.45 C ATOM 928 O GLN A 53 5.331 5.700 -9.596 1.00 64.34 O ATOM 929 CB GLN A 53 5.174 9.094 -9.140 1.00 60.23 C ATOM 930 CG GLN A 53 4.618 9.330 -10.545 1.00 63.21 C ATOM 931 CD GLN A 53 5.099 8.332 -11.574 1.00 3.33 C ATOM 932 OE1 GLN A 53 6.149 8.514 -12.193 1.00 21.44 O ATOM 933 NE2 GLN A 53 4.319 7.285 -11.787 1.00 13.01 N ATOM 0 H GLN A 53 4.976 8.844 -6.704 1.00 5.10 H new ATOM 0 HA GLN A 53 3.756 7.509 -8.825 1.00 33.50 H new ATOM 0 HB2 GLN A 53 4.849 9.911 -8.496 1.00 60.23 H new ATOM 0 HB3 GLN A 53 6.262 9.137 -9.185 1.00 60.23 H new ATOM 0 HG2 GLN A 53 3.529 9.297 -10.504 1.00 63.21 H new ATOM 0 HG3 GLN A 53 4.895 10.333 -10.870 1.00 63.21 H new ATOM 0 HE21 GLN A 53 3.458 7.173 -11.252 1.00 13.01 H new ATOM 0 HE22 GLN A 53 4.579 6.589 -12.486 1.00 13.01 H new ATOM 942 N LYS A 54 6.967 6.743 -8.447 1.00 60.24 N ATOM 943 CA LYS A 54 7.991 5.745 -8.755 1.00 34.43 C ATOM 944 C LYS A 54 7.586 4.362 -8.257 1.00 53.45 C ATOM 945 O LYS A 54 7.790 3.360 -8.944 1.00 51.03 O ATOM 946 CB LYS A 54 9.331 6.138 -8.128 1.00 12.24 C ATOM 947 CG LYS A 54 10.037 7.285 -8.830 1.00 41.15 C ATOM 948 CD LYS A 54 11.391 7.561 -8.192 1.00 41.34 C ATOM 949 CE LYS A 54 11.250 8.257 -6.849 1.00 71.24 C ATOM 950 NZ LYS A 54 10.967 9.706 -7.011 1.00 2.03 N ATOM 0 H LYS A 54 7.293 7.507 -7.855 1.00 60.24 H new ATOM 0 HA LYS A 54 8.094 5.708 -9.839 1.00 34.43 H new ATOM 0 HB2 LYS A 54 9.165 6.412 -7.086 1.00 12.24 H new ATOM 0 HB3 LYS A 54 9.988 5.268 -8.128 1.00 12.24 H new ATOM 0 HG2 LYS A 54 10.170 7.045 -9.885 1.00 41.15 H new ATOM 0 HG3 LYS A 54 9.419 8.181 -8.783 1.00 41.15 H new ATOM 0 HD2 LYS A 54 11.929 6.622 -8.060 1.00 41.34 H new ATOM 0 HD3 LYS A 54 11.989 8.180 -8.861 1.00 41.34 H new ATOM 0 HE2 LYS A 54 10.446 7.790 -6.279 1.00 71.24 H new ATOM 0 HE3 LYS A 54 12.166 8.127 -6.273 1.00 71.24 H new ATOM 0 HZ1 LYS A 54 11.332 10.225 -6.187 1.00 2.03 H new ATOM 0 HZ2 LYS A 54 11.431 10.056 -7.874 1.00 2.03 H new ATOM 0 HZ3 LYS A 54 9.940 9.853 -7.086 1.00 2.03 H new ATOM 964 N PHE A 55 7.006 4.319 -7.064 1.00 24.22 N ATOM 965 CA PHE A 55 6.589 3.065 -6.447 1.00 44.45 C ATOM 966 C PHE A 55 5.656 2.275 -7.362 1.00 21.23 C ATOM 967 O PHE A 55 5.821 1.061 -7.537 1.00 10.45 O ATOM 968 CB PHE A 55 5.902 3.343 -5.107 1.00 35.33 C ATOM 969 CG PHE A 55 5.294 2.121 -4.474 1.00 53.53 C ATOM 970 CD1 PHE A 55 6.097 1.135 -3.921 1.00 34.23 C ATOM 971 CD2 PHE A 55 3.918 1.956 -4.437 1.00 14.12 C ATOM 972 CE1 PHE A 55 5.538 0.009 -3.346 1.00 62.43 C ATOM 973 CE2 PHE A 55 3.356 0.833 -3.862 1.00 53.50 C ATOM 974 CZ PHE A 55 4.166 -0.142 -3.317 1.00 54.25 C ATOM 0 H PHE A 55 6.812 5.146 -6.500 1.00 24.22 H new ATOM 0 HA PHE A 55 7.481 2.461 -6.277 1.00 44.45 H new ATOM 0 HB2 PHE A 55 6.629 3.774 -4.419 1.00 35.33 H new ATOM 0 HB3 PHE A 55 5.122 4.090 -5.257 1.00 35.33 H new ATOM 0 HD1 PHE A 55 7.171 1.248 -3.940 1.00 34.23 H new ATOM 0 HD2 PHE A 55 3.278 2.715 -4.863 1.00 14.12 H new ATOM 0 HE1 PHE A 55 6.174 -0.752 -2.920 1.00 62.43 H new ATOM 0 HE2 PHE A 55 2.282 0.718 -3.839 1.00 53.50 H new ATOM 0 HZ PHE A 55 3.728 -1.021 -2.869 1.00 54.25 H new ATOM 984 N LEU A 56 4.685 2.964 -7.947 1.00 42.41 N ATOM 985 CA LEU A 56 3.719 2.319 -8.823 1.00 44.13 C ATOM 986 C LEU A 56 4.351 1.931 -10.154 1.00 33.10 C ATOM 987 O LEU A 56 3.992 0.911 -10.738 1.00 62.02 O ATOM 988 CB LEU A 56 2.506 3.223 -9.051 1.00 64.13 C ATOM 989 CG LEU A 56 1.605 3.409 -7.828 1.00 53.41 C ATOM 990 CD1 LEU A 56 0.438 4.322 -8.158 1.00 64.04 C ATOM 991 CD2 LEU A 56 1.092 2.067 -7.331 1.00 61.35 C ATOM 0 H LEU A 56 4.546 3.968 -7.830 1.00 42.41 H new ATOM 0 HA LEU A 56 3.384 1.406 -8.331 1.00 44.13 H new ATOM 0 HB2 LEU A 56 2.856 4.202 -9.379 1.00 64.13 H new ATOM 0 HB3 LEU A 56 1.910 2.809 -9.864 1.00 64.13 H new ATOM 0 HG LEU A 56 2.198 3.870 -7.038 1.00 53.41 H new ATOM 0 HD11 LEU A 56 -0.191 4.442 -7.276 1.00 64.04 H new ATOM 0 HD12 LEU A 56 0.815 5.296 -8.470 1.00 64.04 H new ATOM 0 HD13 LEU A 56 -0.149 3.885 -8.965 1.00 64.04 H new ATOM 0 HD21 LEU A 56 0.453 2.221 -6.461 1.00 61.35 H new ATOM 0 HD22 LEU A 56 0.519 1.582 -8.121 1.00 61.35 H new ATOM 0 HD23 LEU A 56 1.936 1.435 -7.054 1.00 61.35 H new ATOM 1003 N ASN A 57 5.303 2.731 -10.622 1.00 62.23 N ATOM 1004 CA ASN A 57 6.000 2.433 -11.873 1.00 63.55 C ATOM 1005 C ASN A 57 6.697 1.082 -11.788 1.00 73.22 C ATOM 1006 O ASN A 57 6.517 0.224 -12.647 1.00 61.12 O ATOM 1007 CB ASN A 57 7.037 3.509 -12.209 1.00 4.20 C ATOM 1008 CG ASN A 57 6.423 4.845 -12.573 1.00 45.23 C ATOM 1009 OD1 ASN A 57 5.305 4.916 -13.085 1.00 30.15 O ATOM 1010 ND2 ASN A 57 7.164 5.915 -12.330 1.00 34.51 N ATOM 0 H ASN A 57 5.610 3.586 -10.159 1.00 62.23 H new ATOM 0 HA ASN A 57 5.249 2.411 -12.662 1.00 63.55 H new ATOM 0 HB2 ASN A 57 7.700 3.643 -11.354 1.00 4.20 H new ATOM 0 HB3 ASN A 57 7.653 3.163 -13.039 1.00 4.20 H new ATOM 0 HD21 ASN A 57 6.814 6.843 -12.568 1.00 34.51 H new ATOM 0 HD22 ASN A 57 8.085 5.811 -11.904 1.00 34.51 H new ATOM 1017 N GLU A 58 7.478 0.897 -10.731 1.00 51.42 N ATOM 1018 CA GLU A 58 8.251 -0.327 -10.555 1.00 62.43 C ATOM 1019 C GLU A 58 7.331 -1.518 -10.292 1.00 43.25 C ATOM 1020 O GLU A 58 7.628 -2.650 -10.678 1.00 42.14 O ATOM 1021 CB GLU A 58 9.239 -0.162 -9.400 1.00 54.35 C ATOM 1022 CG GLU A 58 10.098 1.089 -9.505 1.00 22.51 C ATOM 1023 CD GLU A 58 10.916 1.139 -10.779 1.00 2.10 C ATOM 1024 OE1 GLU A 58 12.033 0.576 -10.792 1.00 73.41 O ATOM 1025 OE2 GLU A 58 10.459 1.753 -11.767 1.00 4.21 O ATOM 0 H GLU A 58 7.593 1.579 -9.982 1.00 51.42 H new ATOM 0 HA GLU A 58 8.805 -0.518 -11.474 1.00 62.43 H new ATOM 0 HB2 GLU A 58 8.686 -0.135 -8.461 1.00 54.35 H new ATOM 0 HB3 GLU A 58 9.889 -1.036 -9.362 1.00 54.35 H new ATOM 0 HG2 GLU A 58 9.456 1.969 -9.457 1.00 22.51 H new ATOM 0 HG3 GLU A 58 10.769 1.136 -8.647 1.00 22.51 H new ATOM 1032 N TYR A 59 6.205 -1.256 -9.643 1.00 61.03 N ATOM 1033 CA TYR A 59 5.243 -2.306 -9.345 1.00 35.21 C ATOM 1034 C TYR A 59 4.503 -2.710 -10.618 1.00 75.01 C ATOM 1035 O TYR A 59 4.193 -3.885 -10.824 1.00 31.05 O ATOM 1036 CB TYR A 59 4.258 -1.835 -8.270 1.00 13.22 C ATOM 1037 CG TYR A 59 3.461 -2.950 -7.629 1.00 3.30 C ATOM 1038 CD1 TYR A 59 3.964 -3.652 -6.538 1.00 1.24 C ATOM 1039 CD2 TYR A 59 2.203 -3.298 -8.108 1.00 15.24 C ATOM 1040 CE1 TYR A 59 3.239 -4.666 -5.947 1.00 64.14 C ATOM 1041 CE2 TYR A 59 1.472 -4.313 -7.521 1.00 22.10 C ATOM 1042 CZ TYR A 59 1.994 -4.993 -6.442 1.00 43.04 C ATOM 1043 OH TYR A 59 1.274 -6.008 -5.858 1.00 2.54 O ATOM 0 H TYR A 59 5.936 -0.329 -9.314 1.00 61.03 H new ATOM 0 HA TYR A 59 5.774 -3.177 -8.961 1.00 35.21 H new ATOM 0 HB2 TYR A 59 4.810 -1.305 -7.494 1.00 13.22 H new ATOM 0 HB3 TYR A 59 3.567 -1.119 -8.715 1.00 13.22 H new ATOM 0 HD1 TYR A 59 4.938 -3.399 -6.147 1.00 1.24 H new ATOM 0 HD2 TYR A 59 1.790 -2.766 -8.953 1.00 15.24 H new ATOM 0 HE1 TYR A 59 3.644 -5.201 -5.101 1.00 64.14 H new ATOM 0 HE2 TYR A 59 0.497 -4.572 -7.906 1.00 22.10 H new ATOM 0 HH TYR A 59 0.370 -5.691 -5.651 1.00 2.54 H new ATOM 1053 N GLY A 60 4.254 -1.729 -11.480 1.00 73.23 N ATOM 1054 CA GLY A 60 3.566 -1.979 -12.734 1.00 75.41 C ATOM 1055 C GLY A 60 4.487 -2.536 -13.805 1.00 33.52 C ATOM 1056 O GLY A 60 4.053 -2.823 -14.919 1.00 32.01 O ATOM 0 H GLY A 60 4.520 -0.756 -11.330 1.00 73.23 H new ATOM 0 HA2 GLY A 60 2.749 -2.680 -12.562 1.00 75.41 H new ATOM 0 HA3 GLY A 60 3.120 -1.051 -13.091 1.00 75.41 H new ATOM 1060 N LEU A 61 5.766 -2.659 -13.479 1.00 23.24 N ATOM 1061 CA LEU A 61 6.726 -3.288 -14.377 1.00 55.22 C ATOM 1062 C LEU A 61 6.812 -4.781 -14.100 1.00 63.43 C ATOM 1063 O LEU A 61 7.305 -5.550 -14.925 1.00 73.23 O ATOM 1064 CB LEU A 61 8.117 -2.668 -14.213 1.00 43.12 C ATOM 1065 CG LEU A 61 8.259 -1.216 -14.667 1.00 13.23 C ATOM 1066 CD1 LEU A 61 9.660 -0.709 -14.371 1.00 14.32 C ATOM 1067 CD2 LEU A 61 7.950 -1.087 -16.150 1.00 71.33 C ATOM 0 H LEU A 61 6.164 -2.331 -12.599 1.00 23.24 H new ATOM 0 HA LEU A 61 6.381 -3.124 -15.398 1.00 55.22 H new ATOM 0 HB2 LEU A 61 8.399 -2.729 -13.162 1.00 43.12 H new ATOM 0 HB3 LEU A 61 8.831 -3.274 -14.770 1.00 43.12 H new ATOM 0 HG LEU A 61 7.543 -0.608 -14.114 1.00 13.23 H new ATOM 0 HD11 LEU A 61 9.749 0.327 -14.699 1.00 14.32 H new ATOM 0 HD12 LEU A 61 9.849 -0.768 -13.299 1.00 14.32 H new ATOM 0 HD13 LEU A 61 10.388 -1.322 -14.902 1.00 14.32 H new ATOM 0 HD21 LEU A 61 8.056 -0.046 -16.455 1.00 71.33 H new ATOM 0 HD22 LEU A 61 8.643 -1.705 -16.721 1.00 71.33 H new ATOM 0 HD23 LEU A 61 6.929 -1.418 -16.339 1.00 71.33 H new ATOM 1079 N THR A 62 6.326 -5.181 -12.933 1.00 51.52 N ATOM 1080 CA THR A 62 6.474 -6.553 -12.479 1.00 0.30 C ATOM 1081 C THR A 62 5.128 -7.249 -12.285 1.00 15.43 C ATOM 1082 O THR A 62 5.009 -8.456 -12.497 1.00 42.14 O ATOM 1083 CB THR A 62 7.260 -6.596 -11.156 1.00 20.02 C ATOM 1084 OG1 THR A 62 6.765 -5.581 -10.265 1.00 23.54 O ATOM 1085 CG2 THR A 62 8.747 -6.381 -11.396 1.00 34.12 C ATOM 0 H THR A 62 5.826 -4.573 -12.285 1.00 51.52 H new ATOM 0 HA THR A 62 7.020 -7.086 -13.258 1.00 0.30 H new ATOM 0 HB THR A 62 7.122 -7.580 -10.709 1.00 20.02 H new ATOM 0 HG1 THR A 62 5.986 -5.924 -9.779 1.00 23.54 H new ATOM 0 HG21 THR A 62 9.278 -6.416 -10.445 1.00 34.12 H new ATOM 0 HG22 THR A 62 9.127 -7.164 -12.053 1.00 34.12 H new ATOM 0 HG23 THR A 62 8.903 -5.409 -11.863 1.00 34.12 H new ATOM 1093 N HIS A 63 4.117 -6.490 -11.885 1.00 22.32 N ATOM 1094 CA HIS A 63 2.827 -7.066 -11.538 1.00 3.22 C ATOM 1095 C HIS A 63 1.758 -6.685 -12.549 1.00 63.31 C ATOM 1096 O HIS A 63 1.858 -5.658 -13.218 1.00 11.35 O ATOM 1097 CB HIS A 63 2.409 -6.615 -10.138 1.00 34.31 C ATOM 1098 CG HIS A 63 3.248 -7.197 -9.043 1.00 65.42 C ATOM 1099 ND1 HIS A 63 4.564 -6.842 -8.822 1.00 41.03 N ATOM 1100 CD2 HIS A 63 2.949 -8.124 -8.105 1.00 3.10 C ATOM 1101 CE1 HIS A 63 5.032 -7.528 -7.795 1.00 12.03 C ATOM 1102 NE2 HIS A 63 4.073 -8.310 -7.343 1.00 34.34 N ATOM 0 H HIS A 63 4.166 -5.475 -11.793 1.00 22.32 H new ATOM 0 HA HIS A 63 2.931 -8.151 -11.552 1.00 3.22 H new ATOM 0 HB2 HIS A 63 2.462 -5.528 -10.085 1.00 34.31 H new ATOM 0 HB3 HIS A 63 1.368 -6.892 -9.972 1.00 34.31 H new ATOM 0 HD2 HIS A 63 2.000 -8.625 -7.980 1.00 3.10 H new ATOM 0 HE1 HIS A 63 6.032 -7.459 -7.393 1.00 12.03 H new ATOM 0 HE2 HIS A 63 4.154 -8.951 -6.553 1.00 34.34 H new ATOM 1111 N SER A 64 0.735 -7.524 -12.649 1.00 50.12 N ATOM 1112 CA SER A 64 -0.355 -7.313 -13.588 1.00 64.34 C ATOM 1113 C SER A 64 -1.145 -6.047 -13.244 1.00 65.02 C ATOM 1114 O SER A 64 -1.047 -5.524 -12.130 1.00 22.23 O ATOM 1115 CB SER A 64 -1.273 -8.531 -13.569 1.00 12.34 C ATOM 1116 OG SER A 64 -0.520 -9.727 -13.716 1.00 71.25 O ATOM 0 H SER A 64 0.639 -8.367 -12.083 1.00 50.12 H new ATOM 0 HA SER A 64 0.061 -7.181 -14.587 1.00 64.34 H new ATOM 0 HB2 SER A 64 -1.830 -8.559 -12.633 1.00 12.34 H new ATOM 0 HB3 SER A 64 -2.005 -8.454 -14.373 1.00 12.34 H new ATOM 0 HG SER A 64 -1.124 -10.498 -13.700 1.00 71.25 H new ATOM 1122 N TYR A 65 -1.939 -5.566 -14.199 1.00 21.33 N ATOM 1123 CA TYR A 65 -2.683 -4.326 -14.019 1.00 52.22 C ATOM 1124 C TYR A 65 -3.646 -4.417 -12.841 1.00 44.53 C ATOM 1125 O TYR A 65 -3.738 -3.494 -12.040 1.00 35.43 O ATOM 1126 CB TYR A 65 -3.456 -3.955 -15.287 1.00 42.22 C ATOM 1127 CG TYR A 65 -4.373 -2.768 -15.088 1.00 51.11 C ATOM 1128 CD1 TYR A 65 -3.867 -1.476 -15.006 1.00 34.44 C ATOM 1129 CD2 TYR A 65 -5.746 -2.944 -14.956 1.00 33.23 C ATOM 1130 CE1 TYR A 65 -4.702 -0.396 -14.802 1.00 44.21 C ATOM 1131 CE2 TYR A 65 -6.584 -1.869 -14.750 1.00 3.03 C ATOM 1132 CZ TYR A 65 -6.059 -0.597 -14.673 1.00 54.31 C ATOM 1133 OH TYR A 65 -6.893 0.477 -14.457 1.00 34.31 O ATOM 0 H TYR A 65 -2.082 -6.017 -15.103 1.00 21.33 H new ATOM 0 HA TYR A 65 -1.952 -3.545 -13.810 1.00 52.22 H new ATOM 0 HB2 TYR A 65 -2.749 -3.732 -16.086 1.00 42.22 H new ATOM 0 HB3 TYR A 65 -4.045 -4.813 -15.612 1.00 42.22 H new ATOM 0 HD1 TYR A 65 -2.804 -1.315 -15.103 1.00 34.44 H new ATOM 0 HD2 TYR A 65 -6.162 -3.939 -15.016 1.00 33.23 H new ATOM 0 HE1 TYR A 65 -4.294 0.602 -14.744 1.00 44.21 H new ATOM 0 HE2 TYR A 65 -7.648 -2.023 -14.649 1.00 3.03 H new ATOM 0 HH TYR A 65 -7.819 0.164 -14.390 1.00 34.31 H new ATOM 1143 N GLU A 66 -4.362 -5.526 -12.736 1.00 11.13 N ATOM 1144 CA GLU A 66 -5.324 -5.697 -11.657 1.00 34.35 C ATOM 1145 C GLU A 66 -4.612 -5.697 -10.307 1.00 12.54 C ATOM 1146 O GLU A 66 -5.168 -5.260 -9.299 1.00 15.30 O ATOM 1147 CB GLU A 66 -6.107 -6.995 -11.838 1.00 23.15 C ATOM 1148 CG GLU A 66 -7.402 -7.035 -11.044 1.00 40.12 C ATOM 1149 CD GLU A 66 -8.136 -8.348 -11.197 1.00 13.44 C ATOM 1150 OE1 GLU A 66 -8.393 -8.761 -12.348 1.00 32.51 O ATOM 1151 OE2 GLU A 66 -8.474 -8.966 -10.167 1.00 53.22 O ATOM 0 H GLU A 66 -4.297 -6.315 -13.379 1.00 11.13 H new ATOM 0 HA GLU A 66 -6.024 -4.862 -11.685 1.00 34.35 H new ATOM 0 HB2 GLU A 66 -6.334 -7.129 -12.896 1.00 23.15 H new ATOM 0 HB3 GLU A 66 -5.479 -7.834 -11.538 1.00 23.15 H new ATOM 0 HG2 GLU A 66 -7.183 -6.866 -9.990 1.00 40.12 H new ATOM 0 HG3 GLU A 66 -8.049 -6.221 -11.370 1.00 40.12 H new ATOM 1158 N THR A 67 -3.372 -6.165 -10.305 1.00 11.10 N ATOM 1159 CA THR A 67 -2.581 -6.234 -9.091 1.00 43.33 C ATOM 1160 C THR A 67 -2.181 -4.833 -8.627 1.00 32.13 C ATOM 1161 O THR A 67 -2.325 -4.494 -7.454 1.00 11.41 O ATOM 1162 CB THR A 67 -1.319 -7.086 -9.313 1.00 53.44 C ATOM 1163 OG1 THR A 67 -1.653 -8.243 -10.091 1.00 11.41 O ATOM 1164 CG2 THR A 67 -0.720 -7.526 -7.988 1.00 53.21 C ATOM 0 H THR A 67 -2.892 -6.504 -11.139 1.00 11.10 H new ATOM 0 HA THR A 67 -3.192 -6.701 -8.319 1.00 43.33 H new ATOM 0 HB THR A 67 -0.584 -6.480 -9.842 1.00 53.44 H new ATOM 0 HG1 THR A 67 -0.849 -8.785 -10.234 1.00 11.41 H new ATOM 0 HG21 THR A 67 0.171 -8.127 -8.173 1.00 53.21 H new ATOM 0 HG22 THR A 67 -0.450 -6.648 -7.401 1.00 53.21 H new ATOM 0 HG23 THR A 67 -1.450 -8.120 -7.438 1.00 53.21 H new ATOM 1172 N ILE A 68 -1.698 -4.014 -9.552 1.00 11.22 N ATOM 1173 CA ILE A 68 -1.324 -2.644 -9.220 1.00 11.52 C ATOM 1174 C ILE A 68 -2.574 -1.794 -8.971 1.00 11.11 C ATOM 1175 O ILE A 68 -2.569 -0.897 -8.128 1.00 55.32 O ATOM 1176 CB ILE A 68 -0.428 -1.997 -10.311 1.00 33.41 C ATOM 1177 CG1 ILE A 68 0.015 -0.595 -9.881 1.00 21.33 C ATOM 1178 CG2 ILE A 68 -1.141 -1.943 -11.655 1.00 54.14 C ATOM 1179 CD1 ILE A 68 0.900 0.102 -10.894 1.00 72.23 C ATOM 0 H ILE A 68 -1.557 -4.270 -10.529 1.00 11.22 H new ATOM 0 HA ILE A 68 -0.733 -2.682 -8.305 1.00 11.52 H new ATOM 0 HB ILE A 68 0.457 -2.622 -10.429 1.00 33.41 H new ATOM 0 HG12 ILE A 68 -0.869 0.017 -9.702 1.00 21.33 H new ATOM 0 HG13 ILE A 68 0.549 -0.667 -8.934 1.00 21.33 H new ATOM 0 HG21 ILE A 68 -0.486 -1.485 -12.396 1.00 54.14 H new ATOM 0 HG22 ILE A 68 -1.396 -2.954 -11.972 1.00 54.14 H new ATOM 0 HG23 ILE A 68 -2.052 -1.352 -11.560 1.00 54.14 H new ATOM 0 HD11 ILE A 68 1.173 1.089 -10.520 1.00 72.23 H new ATOM 0 HD12 ILE A 68 1.802 -0.488 -11.055 1.00 72.23 H new ATOM 0 HD13 ILE A 68 0.362 0.207 -11.836 1.00 72.23 H new ATOM 1191 N ARG A 69 -3.643 -2.095 -9.702 1.00 12.00 N ATOM 1192 CA ARG A 69 -4.918 -1.407 -9.533 1.00 22.01 C ATOM 1193 C ARG A 69 -5.440 -1.557 -8.107 1.00 22.22 C ATOM 1194 O ARG A 69 -5.801 -0.568 -7.463 1.00 2.31 O ATOM 1195 CB ARG A 69 -5.946 -1.958 -10.527 1.00 62.12 C ATOM 1196 CG ARG A 69 -7.381 -1.602 -10.183 1.00 60.44 C ATOM 1197 CD ARG A 69 -8.359 -2.281 -11.121 1.00 23.41 C ATOM 1198 NE ARG A 69 -9.658 -2.484 -10.488 1.00 15.21 N ATOM 1199 CZ ARG A 69 -10.669 -3.137 -11.058 1.00 2.13 C ATOM 1200 NH1 ARG A 69 -10.584 -3.533 -12.321 1.00 51.40 N ATOM 1201 NH2 ARG A 69 -11.775 -3.381 -10.368 1.00 60.54 N ATOM 0 H ARG A 69 -3.650 -2.817 -10.423 1.00 12.00 H new ATOM 0 HA ARG A 69 -4.760 -0.346 -9.727 1.00 22.01 H new ATOM 0 HB2 ARG A 69 -5.716 -1.578 -11.522 1.00 62.12 H new ATOM 0 HB3 ARG A 69 -5.851 -3.043 -10.570 1.00 62.12 H new ATOM 0 HG2 ARG A 69 -7.595 -1.898 -9.156 1.00 60.44 H new ATOM 0 HG3 ARG A 69 -7.513 -0.521 -10.238 1.00 60.44 H new ATOM 0 HD2 ARG A 69 -8.482 -1.676 -12.019 1.00 23.41 H new ATOM 0 HD3 ARG A 69 -7.953 -3.242 -11.437 1.00 23.41 H new ATOM 0 HE ARG A 69 -9.800 -2.103 -9.553 1.00 15.21 H new ATOM 0 HH11 ARG A 69 -9.741 -3.338 -12.861 1.00 51.40 H new ATOM 0 HH12 ARG A 69 -11.362 -4.033 -12.752 1.00 51.40 H new ATOM 0 HH21 ARG A 69 -11.852 -3.068 -9.400 1.00 60.54 H new ATOM 0 HH22 ARG A 69 -12.549 -3.881 -10.805 1.00 60.54 H new ATOM 1215 N LYS A 70 -5.472 -2.790 -7.610 1.00 33.20 N ATOM 1216 CA LYS A 70 -5.967 -3.035 -6.264 1.00 1.10 C ATOM 1217 C LYS A 70 -5.013 -2.431 -5.236 1.00 30.43 C ATOM 1218 O LYS A 70 -5.450 -1.909 -4.214 1.00 62.32 O ATOM 1219 CB LYS A 70 -6.187 -4.532 -5.999 1.00 53.30 C ATOM 1220 CG LYS A 70 -4.931 -5.384 -6.073 1.00 62.02 C ATOM 1221 CD LYS A 70 -5.215 -6.823 -5.670 1.00 61.31 C ATOM 1222 CE LYS A 70 -6.155 -7.513 -6.648 1.00 55.22 C ATOM 1223 NZ LYS A 70 -6.601 -8.841 -6.144 1.00 43.44 N ATOM 0 H LYS A 70 -5.165 -3.623 -8.113 1.00 33.20 H new ATOM 0 HA LYS A 70 -6.938 -2.550 -6.170 1.00 1.10 H new ATOM 0 HB2 LYS A 70 -6.631 -4.650 -5.011 1.00 53.30 H new ATOM 0 HB3 LYS A 70 -6.910 -4.912 -6.721 1.00 53.30 H new ATOM 0 HG2 LYS A 70 -4.532 -5.360 -7.087 1.00 62.02 H new ATOM 0 HG3 LYS A 70 -4.166 -4.965 -5.419 1.00 62.02 H new ATOM 0 HD2 LYS A 70 -4.277 -7.376 -5.616 1.00 61.31 H new ATOM 0 HD3 LYS A 70 -5.653 -6.840 -4.672 1.00 61.31 H new ATOM 0 HE2 LYS A 70 -7.025 -6.880 -6.824 1.00 55.22 H new ATOM 0 HE3 LYS A 70 -5.653 -7.638 -7.607 1.00 55.22 H new ATOM 0 HZ1 LYS A 70 -6.556 -9.538 -6.915 1.00 43.44 H new ATOM 0 HZ2 LYS A 70 -5.980 -9.144 -5.367 1.00 43.44 H new ATOM 0 HZ3 LYS A 70 -7.579 -8.770 -5.798 1.00 43.44 H new ATOM 1237 N LEU A 71 -3.714 -2.477 -5.529 1.00 43.00 N ATOM 1238 CA LEU A 71 -2.715 -1.858 -4.665 1.00 73.15 C ATOM 1239 C LEU A 71 -2.986 -0.364 -4.527 1.00 41.23 C ATOM 1240 O LEU A 71 -3.014 0.165 -3.418 1.00 21.54 O ATOM 1241 CB LEU A 71 -1.307 -2.082 -5.220 1.00 24.54 C ATOM 1242 CG LEU A 71 -0.201 -1.293 -4.514 1.00 34.21 C ATOM 1243 CD1 LEU A 71 -0.098 -1.695 -3.052 1.00 11.10 C ATOM 1244 CD2 LEU A 71 1.128 -1.497 -5.219 1.00 23.31 C ATOM 0 H LEU A 71 -3.332 -2.936 -6.356 1.00 43.00 H new ATOM 0 HA LEU A 71 -2.781 -2.323 -3.682 1.00 73.15 H new ATOM 0 HB2 LEU A 71 -1.072 -3.144 -5.156 1.00 24.54 H new ATOM 0 HB3 LEU A 71 -1.303 -1.818 -6.277 1.00 24.54 H new ATOM 0 HG LEU A 71 -0.457 -0.234 -4.556 1.00 34.21 H new ATOM 0 HD11 LEU A 71 0.694 -1.121 -2.572 1.00 11.10 H new ATOM 0 HD12 LEU A 71 -1.045 -1.494 -2.552 1.00 11.10 H new ATOM 0 HD13 LEU A 71 0.131 -2.758 -2.982 1.00 11.10 H new ATOM 0 HD21 LEU A 71 1.904 -0.929 -4.705 1.00 23.31 H new ATOM 0 HD22 LEU A 71 1.386 -2.556 -5.209 1.00 23.31 H new ATOM 0 HD23 LEU A 71 1.050 -1.152 -6.250 1.00 23.31 H new ATOM 1256 N ASN A 72 -3.183 0.299 -5.661 1.00 71.42 N ATOM 1257 CA ASN A 72 -3.541 1.718 -5.686 1.00 34.35 C ATOM 1258 C ASN A 72 -4.740 1.978 -4.781 1.00 64.41 C ATOM 1259 O ASN A 72 -4.748 2.926 -3.996 1.00 24.23 O ATOM 1260 CB ASN A 72 -3.860 2.153 -7.124 1.00 20.25 C ATOM 1261 CG ASN A 72 -4.392 3.575 -7.229 1.00 22.13 C ATOM 1262 OD1 ASN A 72 -4.043 4.454 -6.444 1.00 54.32 O ATOM 1263 ND2 ASN A 72 -5.256 3.804 -8.209 1.00 32.33 N ATOM 0 H ASN A 72 -3.101 -0.126 -6.585 1.00 71.42 H new ATOM 0 HA ASN A 72 -2.696 2.300 -5.319 1.00 34.35 H new ATOM 0 HB2 ASN A 72 -2.957 2.067 -7.729 1.00 20.25 H new ATOM 0 HB3 ASN A 72 -4.594 1.468 -7.547 1.00 20.25 H new ATOM 0 HD21 ASN A 72 -5.654 4.735 -8.330 1.00 32.33 H new ATOM 0 HD22 ASN A 72 -5.522 3.049 -8.841 1.00 32.33 H new ATOM 1270 N SER A 73 -5.741 1.111 -4.877 1.00 61.12 N ATOM 1271 CA SER A 73 -6.931 1.224 -4.048 1.00 14.41 C ATOM 1272 C SER A 73 -6.569 1.115 -2.566 1.00 34.30 C ATOM 1273 O SER A 73 -7.048 1.899 -1.748 1.00 14.30 O ATOM 1274 CB SER A 73 -7.945 0.141 -4.427 1.00 42.21 C ATOM 1275 OG SER A 73 -9.176 0.323 -3.745 1.00 2.15 O ATOM 0 H SER A 73 -5.750 0.321 -5.522 1.00 61.12 H new ATOM 0 HA SER A 73 -7.379 2.202 -4.221 1.00 14.41 H new ATOM 0 HB2 SER A 73 -8.117 0.162 -5.503 1.00 42.21 H new ATOM 0 HB3 SER A 73 -7.537 -0.841 -4.189 1.00 42.21 H new ATOM 0 HG SER A 73 -9.803 -0.382 -4.008 1.00 2.15 H new ATOM 1281 N TYR A 74 -5.712 0.154 -2.230 1.00 4.22 N ATOM 1282 CA TYR A 74 -5.289 -0.045 -0.846 1.00 25.41 C ATOM 1283 C TYR A 74 -4.560 1.190 -0.334 1.00 2.10 C ATOM 1284 O TYR A 74 -4.809 1.648 0.778 1.00 13.43 O ATOM 1285 CB TYR A 74 -4.378 -1.270 -0.713 1.00 53.25 C ATOM 1286 CG TYR A 74 -4.970 -2.553 -1.251 1.00 41.30 C ATOM 1287 CD1 TYR A 74 -6.335 -2.802 -1.180 1.00 43.42 C ATOM 1288 CD2 TYR A 74 -4.157 -3.518 -1.833 1.00 70.30 C ATOM 1289 CE1 TYR A 74 -6.872 -3.975 -1.674 1.00 74.10 C ATOM 1290 CE2 TYR A 74 -4.685 -4.692 -2.328 1.00 71.14 C ATOM 1291 CZ TYR A 74 -6.043 -4.918 -2.248 1.00 33.42 C ATOM 1292 OH TYR A 74 -6.574 -6.089 -2.740 1.00 12.35 O ATOM 0 H TYR A 74 -5.297 -0.498 -2.896 1.00 4.22 H new ATOM 0 HA TYR A 74 -6.184 -0.214 -0.247 1.00 25.41 H new ATOM 0 HB2 TYR A 74 -3.442 -1.070 -1.235 1.00 53.25 H new ATOM 0 HB3 TYR A 74 -4.132 -1.412 0.339 1.00 53.25 H new ATOM 0 HD1 TYR A 74 -6.987 -2.067 -0.731 1.00 43.42 H new ATOM 0 HD2 TYR A 74 -3.093 -3.346 -1.899 1.00 70.30 H new ATOM 0 HE1 TYR A 74 -7.935 -4.154 -1.611 1.00 74.10 H new ATOM 0 HE2 TYR A 74 -4.038 -5.431 -2.776 1.00 71.14 H new ATOM 0 HH TYR A 74 -7.490 -5.928 -3.049 1.00 12.35 H new ATOM 1302 N ILE A 75 -3.663 1.726 -1.158 1.00 25.31 N ATOM 1303 CA ILE A 75 -2.924 2.935 -0.808 1.00 74.31 C ATOM 1304 C ILE A 75 -3.888 4.088 -0.541 1.00 2.45 C ATOM 1305 O ILE A 75 -3.788 4.778 0.477 1.00 70.32 O ATOM 1306 CB ILE A 75 -1.954 3.358 -1.934 1.00 24.14 C ATOM 1307 CG1 ILE A 75 -1.032 2.198 -2.336 1.00 73.41 C ATOM 1308 CG2 ILE A 75 -1.131 4.562 -1.496 1.00 33.04 C ATOM 1309 CD1 ILE A 75 -0.108 1.732 -1.235 1.00 51.45 C ATOM 0 H ILE A 75 -3.431 1.341 -2.074 1.00 25.31 H new ATOM 0 HA ILE A 75 -2.348 2.708 0.089 1.00 74.31 H new ATOM 0 HB ILE A 75 -2.547 3.634 -2.806 1.00 24.14 H new ATOM 0 HG12 ILE A 75 -1.645 1.357 -2.661 1.00 73.41 H new ATOM 0 HG13 ILE A 75 -0.432 2.505 -3.193 1.00 73.41 H new ATOM 0 HG21 ILE A 75 -0.452 4.850 -2.298 1.00 33.04 H new ATOM 0 HG22 ILE A 75 -1.797 5.394 -1.268 1.00 33.04 H new ATOM 0 HG23 ILE A 75 -0.555 4.305 -0.607 1.00 33.04 H new ATOM 0 HD11 ILE A 75 0.509 0.911 -1.601 1.00 51.45 H new ATOM 0 HD12 ILE A 75 0.533 2.557 -0.924 1.00 51.45 H new ATOM 0 HD13 ILE A 75 -0.698 1.391 -0.384 1.00 51.45 H new ATOM 1321 N ARG A 76 -4.831 4.273 -1.458 1.00 24.54 N ATOM 1322 CA ARG A 76 -5.832 5.321 -1.334 1.00 62.21 C ATOM 1323 C ARG A 76 -6.642 5.148 -0.054 1.00 2.34 C ATOM 1324 O ARG A 76 -6.791 6.089 0.722 1.00 62.02 O ATOM 1325 CB ARG A 76 -6.754 5.323 -2.556 1.00 33.22 C ATOM 1326 CG ARG A 76 -6.059 5.765 -3.835 1.00 41.03 C ATOM 1327 CD ARG A 76 -6.953 5.599 -5.054 1.00 32.13 C ATOM 1328 NE ARG A 76 -8.196 6.361 -4.945 1.00 3.34 N ATOM 1329 CZ ARG A 76 -9.144 6.369 -5.882 1.00 34.54 C ATOM 1330 NH1 ARG A 76 -8.952 5.738 -7.036 1.00 20.33 N ATOM 1331 NH2 ARG A 76 -10.274 7.024 -5.679 1.00 42.14 N ATOM 0 H ARG A 76 -4.921 3.705 -2.301 1.00 24.54 H new ATOM 0 HA ARG A 76 -5.318 6.281 -1.283 1.00 62.21 H new ATOM 0 HB2 ARG A 76 -7.159 4.321 -2.699 1.00 33.22 H new ATOM 0 HB3 ARG A 76 -7.599 5.984 -2.363 1.00 33.22 H new ATOM 0 HG2 ARG A 76 -5.761 6.809 -3.743 1.00 41.03 H new ATOM 0 HG3 ARG A 76 -5.147 5.184 -3.972 1.00 41.03 H new ATOM 0 HD2 ARG A 76 -6.411 5.919 -5.944 1.00 32.13 H new ATOM 0 HD3 ARG A 76 -7.188 4.543 -5.187 1.00 32.13 H new ATOM 0 HE ARG A 76 -8.346 6.918 -4.104 1.00 3.34 H new ATOM 0 HH11 ARG A 76 -8.076 5.245 -7.208 1.00 20.33 H new ATOM 0 HH12 ARG A 76 -9.681 5.747 -7.750 1.00 20.33 H new ATOM 0 HH21 ARG A 76 -10.423 7.525 -4.803 1.00 42.14 H new ATOM 0 HH22 ARG A 76 -10.997 7.028 -6.398 1.00 42.14 H new ATOM 1345 N ASN A 77 -7.135 3.935 0.179 1.00 1.25 N ATOM 1346 CA ASN A 77 -7.936 3.648 1.366 1.00 35.03 C ATOM 1347 C ASN A 77 -7.124 3.818 2.645 1.00 2.43 C ATOM 1348 O ASN A 77 -7.630 4.342 3.635 1.00 33.11 O ATOM 1349 CB ASN A 77 -8.523 2.235 1.311 1.00 4.52 C ATOM 1350 CG ASN A 77 -9.791 2.164 0.484 1.00 40.12 C ATOM 1351 OD1 ASN A 77 -10.925 2.384 1.130 1.00 25.12 O flip ATOM 1352 ND2 ASN A 77 -9.756 1.912 -0.721 1.00 21.31 N flip ATOM 0 H ASN A 77 -6.994 3.135 -0.438 1.00 1.25 H new ATOM 0 HA ASN A 77 -8.754 4.369 1.377 1.00 35.03 H new ATOM 0 HB2 ASN A 77 -7.782 1.553 0.893 1.00 4.52 H new ATOM 0 HB3 ASN A 77 -8.735 1.893 2.324 1.00 4.52 H new ATOM 0 HD21 ASN A 77 -8.861 1.748 -1.182 1.00 21.31 H new ATOM 0 HD22 ASN A 77 -10.622 1.867 -1.258 1.00 21.31 H new ATOM 1359 N ALA A 78 -5.871 3.377 2.623 1.00 11.03 N ATOM 1360 CA ALA A 78 -5.000 3.482 3.790 1.00 60.52 C ATOM 1361 C ALA A 78 -4.758 4.941 4.164 1.00 70.43 C ATOM 1362 O ALA A 78 -4.865 5.318 5.332 1.00 22.05 O ATOM 1363 CB ALA A 78 -3.678 2.773 3.534 1.00 21.20 C ATOM 0 H ALA A 78 -5.435 2.943 1.810 1.00 11.03 H new ATOM 0 HA ALA A 78 -5.500 2.996 4.628 1.00 60.52 H new ATOM 0 HB1 ALA A 78 -3.041 2.861 4.414 1.00 21.20 H new ATOM 0 HB2 ALA A 78 -3.865 1.720 3.325 1.00 21.20 H new ATOM 0 HB3 ALA A 78 -3.180 3.230 2.679 1.00 21.20 H new ATOM 1369 N PHE A 79 -4.443 5.763 3.171 1.00 25.22 N ATOM 1370 CA PHE A 79 -4.215 7.182 3.410 1.00 30.33 C ATOM 1371 C PHE A 79 -5.516 7.901 3.735 1.00 22.32 C ATOM 1372 O PHE A 79 -5.539 8.783 4.586 1.00 54.53 O ATOM 1373 CB PHE A 79 -3.530 7.844 2.213 1.00 74.33 C ATOM 1374 CG PHE A 79 -2.043 7.645 2.193 1.00 35.40 C ATOM 1375 CD1 PHE A 79 -1.219 8.437 2.978 1.00 4.50 C ATOM 1376 CD2 PHE A 79 -1.467 6.668 1.400 1.00 74.21 C ATOM 1377 CE1 PHE A 79 0.150 8.257 2.972 1.00 74.30 C ATOM 1378 CE2 PHE A 79 -0.099 6.482 1.390 1.00 12.01 C ATOM 1379 CZ PHE A 79 0.712 7.277 2.177 1.00 14.22 C ATOM 0 H PHE A 79 -4.340 5.474 2.198 1.00 25.22 H new ATOM 0 HA PHE A 79 -3.552 7.263 4.272 1.00 30.33 H new ATOM 0 HB2 PHE A 79 -3.955 7.443 1.293 1.00 74.33 H new ATOM 0 HB3 PHE A 79 -3.746 8.912 2.225 1.00 74.33 H new ATOM 0 HD1 PHE A 79 -1.653 9.204 3.602 1.00 4.50 H new ATOM 0 HD2 PHE A 79 -2.095 6.044 0.782 1.00 74.21 H new ATOM 0 HE1 PHE A 79 0.780 8.881 3.588 1.00 74.30 H new ATOM 0 HE2 PHE A 79 0.337 5.715 0.767 1.00 12.01 H new ATOM 0 HZ PHE A 79 1.782 7.133 2.171 1.00 14.22 H new ATOM 1389 N ASP A 80 -6.597 7.515 3.067 1.00 23.53 N ATOM 1390 CA ASP A 80 -7.906 8.117 3.317 1.00 11.54 C ATOM 1391 C ASP A 80 -8.362 7.822 4.738 1.00 55.30 C ATOM 1392 O ASP A 80 -8.994 8.655 5.390 1.00 34.13 O ATOM 1393 CB ASP A 80 -8.940 7.586 2.325 1.00 72.33 C ATOM 1394 CG ASP A 80 -10.285 8.274 2.463 1.00 20.11 C ATOM 1395 OD1 ASP A 80 -10.448 9.377 1.893 1.00 44.45 O ATOM 1396 OD2 ASP A 80 -11.186 7.707 3.120 1.00 1.22 O ATOM 0 H ASP A 80 -6.596 6.790 2.350 1.00 23.53 H new ATOM 0 HA ASP A 80 -7.814 9.195 3.188 1.00 11.54 H new ATOM 0 HB2 ASP A 80 -8.568 7.723 1.310 1.00 72.33 H new ATOM 0 HB3 ASP A 80 -9.067 6.514 2.476 1.00 72.33 H new ATOM 1401 N ASP A 81 -8.021 6.633 5.214 1.00 73.23 N ATOM 1402 CA ASP A 81 -8.322 6.230 6.580 1.00 10.20 C ATOM 1403 C ASP A 81 -7.614 7.171 7.552 1.00 31.01 C ATOM 1404 O ASP A 81 -8.224 7.720 8.470 1.00 14.02 O ATOM 1405 CB ASP A 81 -7.867 4.785 6.808 1.00 52.03 C ATOM 1406 CG ASP A 81 -8.573 4.113 7.966 1.00 44.23 C ATOM 1407 OD1 ASP A 81 -8.178 4.337 9.123 1.00 31.44 O ATOM 1408 OD2 ASP A 81 -9.523 3.339 7.713 1.00 45.00 O ATOM 0 H ASP A 81 -7.531 5.924 4.668 1.00 73.23 H new ATOM 0 HA ASP A 81 -9.397 6.286 6.750 1.00 10.20 H new ATOM 0 HB2 ASP A 81 -8.042 4.208 5.900 1.00 52.03 H new ATOM 0 HB3 ASP A 81 -6.792 4.774 6.990 1.00 52.03 H new ATOM 1413 N ALA A 82 -6.323 7.381 7.304 1.00 74.10 N ATOM 1414 CA ALA A 82 -5.521 8.305 8.097 1.00 55.42 C ATOM 1415 C ALA A 82 -6.027 9.741 7.944 1.00 61.34 C ATOM 1416 O ALA A 82 -5.999 10.520 8.895 1.00 40.01 O ATOM 1417 CB ALA A 82 -4.057 8.211 7.692 1.00 53.22 C ATOM 0 H ALA A 82 -5.809 6.919 6.554 1.00 74.10 H new ATOM 0 HA ALA A 82 -5.615 8.025 9.146 1.00 55.42 H new ATOM 0 HB1 ALA A 82 -3.468 8.906 8.291 1.00 53.22 H new ATOM 0 HB2 ALA A 82 -3.698 7.195 7.857 1.00 53.22 H new ATOM 0 HB3 ALA A 82 -3.954 8.465 6.637 1.00 53.22 H new ATOM 1423 N ILE A 83 -6.482 10.086 6.742 1.00 31.11 N ATOM 1424 CA ILE A 83 -7.081 11.395 6.482 1.00 14.41 C ATOM 1425 C ILE A 83 -8.300 11.612 7.365 1.00 63.33 C ATOM 1426 O ILE A 83 -8.446 12.659 8.001 1.00 40.12 O ATOM 1427 CB ILE A 83 -7.507 11.539 4.999 1.00 71.14 C ATOM 1428 CG1 ILE A 83 -6.284 11.718 4.100 1.00 5.23 C ATOM 1429 CG2 ILE A 83 -8.486 12.695 4.813 1.00 2.15 C ATOM 1430 CD1 ILE A 83 -5.509 12.988 4.366 1.00 34.22 C ATOM 0 H ILE A 83 -6.447 9.474 5.927 1.00 31.11 H new ATOM 0 HA ILE A 83 -6.323 12.145 6.708 1.00 14.41 H new ATOM 0 HB ILE A 83 -8.017 10.620 4.709 1.00 71.14 H new ATOM 0 HG12 ILE A 83 -5.620 10.864 4.233 1.00 5.23 H new ATOM 0 HG13 ILE A 83 -6.607 11.712 3.059 1.00 5.23 H new ATOM 0 HG21 ILE A 83 -8.766 12.770 3.762 1.00 2.15 H new ATOM 0 HG22 ILE A 83 -9.378 12.517 5.414 1.00 2.15 H new ATOM 0 HG23 ILE A 83 -8.015 13.625 5.130 1.00 2.15 H new ATOM 0 HD11 ILE A 83 -4.657 13.043 3.689 1.00 34.22 H new ATOM 0 HD12 ILE A 83 -6.156 13.850 4.205 1.00 34.22 H new ATOM 0 HD13 ILE A 83 -5.154 12.989 5.397 1.00 34.22 H new ATOM 1442 N HIS A 84 -9.162 10.607 7.410 1.00 12.52 N ATOM 1443 CA HIS A 84 -10.408 10.689 8.157 1.00 70.14 C ATOM 1444 C HIS A 84 -10.140 10.871 9.648 1.00 15.15 C ATOM 1445 O HIS A 84 -10.841 11.622 10.324 1.00 71.42 O ATOM 1446 CB HIS A 84 -11.243 9.432 7.915 1.00 53.45 C ATOM 1447 CG HIS A 84 -12.628 9.525 8.466 1.00 43.54 C ATOM 1448 ND1 HIS A 84 -13.179 8.573 9.292 1.00 74.52 N ATOM 1449 CD2 HIS A 84 -13.579 10.469 8.296 1.00 0.33 C ATOM 1450 CE1 HIS A 84 -14.409 8.928 9.606 1.00 3.02 C ATOM 1451 NE2 HIS A 84 -14.679 10.076 9.015 1.00 20.41 N ATOM 0 H HIS A 84 -9.019 9.717 6.933 1.00 12.52 H new ATOM 0 HA HIS A 84 -10.964 11.559 7.807 1.00 70.14 H new ATOM 0 HB2 HIS A 84 -11.298 9.242 6.843 1.00 53.45 H new ATOM 0 HB3 HIS A 84 -10.738 8.577 8.364 1.00 53.45 H new ATOM 0 HD2 HIS A 84 -13.490 11.367 7.703 1.00 0.33 H new ATOM 0 HE1 HIS A 84 -15.083 8.372 10.241 1.00 3.02 H new ATOM 0 HE2 HIS A 84 -15.559 10.587 9.082 1.00 20.41 H new ATOM 1460 N GLU A 85 -9.118 10.190 10.147 1.00 63.32 N ATOM 1461 CA GLU A 85 -8.740 10.296 11.548 1.00 61.01 C ATOM 1462 C GLU A 85 -7.943 11.577 11.801 1.00 73.22 C ATOM 1463 O GLU A 85 -7.773 12.001 12.947 1.00 60.15 O ATOM 1464 CB GLU A 85 -7.921 9.074 11.968 1.00 41.13 C ATOM 1465 CG GLU A 85 -8.654 7.754 11.779 1.00 51.31 C ATOM 1466 CD GLU A 85 -9.969 7.704 12.528 1.00 3.41 C ATOM 1467 OE1 GLU A 85 -9.947 7.664 13.776 1.00 22.11 O ATOM 1468 OE2 GLU A 85 -11.034 7.718 11.877 1.00 2.02 O ATOM 0 H GLU A 85 -8.535 9.557 9.600 1.00 63.32 H new ATOM 0 HA GLU A 85 -9.651 10.335 12.146 1.00 61.01 H new ATOM 0 HB2 GLU A 85 -6.996 9.052 11.392 1.00 41.13 H new ATOM 0 HB3 GLU A 85 -7.641 9.178 13.016 1.00 41.13 H new ATOM 0 HG2 GLU A 85 -8.839 7.595 10.717 1.00 51.31 H new ATOM 0 HG3 GLU A 85 -8.016 6.937 12.117 1.00 51.31 H new ATOM 1475 N GLY A 86 -7.458 12.189 10.726 1.00 12.52 N ATOM 1476 CA GLY A 86 -6.692 13.416 10.843 1.00 22.11 C ATOM 1477 C GLY A 86 -5.243 13.143 11.179 1.00 31.53 C ATOM 1478 O GLY A 86 -4.564 13.976 11.777 1.00 1.23 O ATOM 0 H GLY A 86 -7.583 11.855 9.770 1.00 12.52 H new ATOM 0 HA2 GLY A 86 -6.750 13.971 9.907 1.00 22.11 H new ATOM 0 HA3 GLY A 86 -7.132 14.047 11.615 1.00 22.11 H new ATOM 1482 N TYR A 87 -4.775 11.971 10.786 1.00 20.44 N ATOM 1483 CA TYR A 87 -3.437 11.522 11.132 1.00 44.12 C ATOM 1484 C TYR A 87 -2.425 11.902 10.052 1.00 31.14 C ATOM 1485 O TYR A 87 -1.245 12.097 10.336 1.00 43.40 O ATOM 1486 CB TYR A 87 -3.451 10.008 11.351 1.00 51.21 C ATOM 1487 CG TYR A 87 -2.142 9.450 11.849 1.00 62.34 C ATOM 1488 CD1 TYR A 87 -1.531 9.973 12.979 1.00 14.32 C ATOM 1489 CD2 TYR A 87 -1.522 8.402 11.187 1.00 4.44 C ATOM 1490 CE1 TYR A 87 -0.331 9.467 13.439 1.00 55.54 C ATOM 1491 CE2 TYR A 87 -0.324 7.889 11.639 1.00 15.33 C ATOM 1492 CZ TYR A 87 0.269 8.424 12.765 1.00 10.42 C ATOM 1493 OH TYR A 87 1.463 7.914 13.222 1.00 72.32 O ATOM 0 H TYR A 87 -5.307 11.308 10.222 1.00 20.44 H new ATOM 0 HA TYR A 87 -3.130 12.018 12.053 1.00 44.12 H new ATOM 0 HB2 TYR A 87 -4.235 9.762 12.067 1.00 51.21 H new ATOM 0 HB3 TYR A 87 -3.710 9.518 10.413 1.00 51.21 H new ATOM 0 HD1 TYR A 87 -2.001 10.789 13.508 1.00 14.32 H new ATOM 0 HD2 TYR A 87 -1.983 7.981 10.306 1.00 4.44 H new ATOM 0 HE1 TYR A 87 0.134 9.885 14.320 1.00 55.54 H new ATOM 0 HE2 TYR A 87 0.148 7.072 11.114 1.00 15.33 H new ATOM 0 HH TYR A 87 2.163 8.071 12.554 1.00 72.32 H new ATOM 1503 N VAL A 88 -2.883 12.012 8.815 1.00 62.05 N ATOM 1504 CA VAL A 88 -2.010 12.413 7.724 1.00 45.53 C ATOM 1505 C VAL A 88 -2.579 13.652 7.037 1.00 5.11 C ATOM 1506 O VAL A 88 -3.792 13.872 7.047 1.00 61.34 O ATOM 1507 CB VAL A 88 -1.792 11.266 6.704 1.00 32.33 C ATOM 1508 CG1 VAL A 88 -3.037 11.016 5.869 1.00 2.20 C ATOM 1509 CG2 VAL A 88 -0.585 11.543 5.816 1.00 51.11 C ATOM 0 H VAL A 88 -3.849 11.830 8.543 1.00 62.05 H new ATOM 0 HA VAL A 88 -1.033 12.653 8.143 1.00 45.53 H new ATOM 0 HB VAL A 88 -1.591 10.358 7.273 1.00 32.33 H new ATOM 0 HG11 VAL A 88 -2.847 10.206 5.165 1.00 2.20 H new ATOM 0 HG12 VAL A 88 -3.865 10.742 6.523 1.00 2.20 H new ATOM 0 HG13 VAL A 88 -3.294 11.921 5.319 1.00 2.20 H new ATOM 0 HG21 VAL A 88 -0.456 10.722 5.111 1.00 51.11 H new ATOM 0 HG22 VAL A 88 -0.742 12.472 5.267 1.00 51.11 H new ATOM 0 HG23 VAL A 88 0.308 11.634 6.434 1.00 51.11 H new ATOM 1519 N ILE A 89 -1.701 14.467 6.467 1.00 33.22 N ATOM 1520 CA ILE A 89 -2.100 15.741 5.890 1.00 33.11 C ATOM 1521 C ILE A 89 -2.843 15.576 4.558 1.00 62.32 C ATOM 1522 O ILE A 89 -3.921 16.142 4.375 1.00 51.13 O ATOM 1523 CB ILE A 89 -0.880 16.682 5.714 1.00 32.24 C ATOM 1524 CG1 ILE A 89 -1.301 17.988 5.028 1.00 4.05 C ATOM 1525 CG2 ILE A 89 0.239 15.996 4.935 1.00 63.12 C ATOM 1526 CD1 ILE A 89 -0.184 19.004 4.905 1.00 14.13 C ATOM 0 H ILE A 89 -0.704 14.266 6.393 1.00 33.22 H new ATOM 0 HA ILE A 89 -2.796 16.195 6.596 1.00 33.11 H new ATOM 0 HB ILE A 89 -0.495 16.923 6.705 1.00 32.24 H new ATOM 0 HG12 ILE A 89 -1.681 17.758 4.033 1.00 4.05 H new ATOM 0 HG13 ILE A 89 -2.123 18.433 5.588 1.00 4.05 H new ATOM 0 HG21 ILE A 89 1.080 16.681 4.828 1.00 63.12 H new ATOM 0 HG22 ILE A 89 0.563 15.105 5.472 1.00 63.12 H new ATOM 0 HG23 ILE A 89 -0.126 15.712 3.948 1.00 63.12 H new ATOM 0 HD11 ILE A 89 -0.560 19.899 4.410 1.00 14.13 H new ATOM 0 HD12 ILE A 89 0.182 19.265 5.898 1.00 14.13 H new ATOM 0 HD13 ILE A 89 0.631 18.580 4.318 1.00 14.13 H new ATOM 1538 N LYS A 90 -2.280 14.792 3.636 1.00 63.44 N ATOM 1539 CA LYS A 90 -2.850 14.645 2.295 1.00 53.31 C ATOM 1540 C LYS A 90 -2.485 13.300 1.683 1.00 1.10 C ATOM 1541 O LYS A 90 -1.479 12.694 2.052 1.00 24.14 O ATOM 1542 CB LYS A 90 -2.357 15.773 1.378 1.00 44.13 C ATOM 1543 CG LYS A 90 -3.130 17.071 1.539 1.00 21.04 C ATOM 1544 CD LYS A 90 -4.515 16.968 0.921 1.00 1.31 C ATOM 1545 CE LYS A 90 -5.403 18.130 1.332 1.00 2.10 C ATOM 1546 NZ LYS A 90 -5.797 18.046 2.764 1.00 51.44 N ATOM 0 H LYS A 90 -1.431 14.250 3.793 1.00 63.44 H new ATOM 0 HA LYS A 90 -3.934 14.700 2.391 1.00 53.31 H new ATOM 0 HB2 LYS A 90 -1.303 15.960 1.581 1.00 44.13 H new ATOM 0 HB3 LYS A 90 -2.428 15.444 0.341 1.00 44.13 H new ATOM 0 HG2 LYS A 90 -3.219 17.315 2.598 1.00 21.04 H new ATOM 0 HG3 LYS A 90 -2.579 17.886 1.069 1.00 21.04 H new ATOM 0 HD2 LYS A 90 -4.428 16.944 -0.165 1.00 1.31 H new ATOM 0 HD3 LYS A 90 -4.980 16.030 1.225 1.00 1.31 H new ATOM 0 HE2 LYS A 90 -4.878 19.069 1.154 1.00 2.10 H new ATOM 0 HE3 LYS A 90 -6.297 18.142 0.709 1.00 2.10 H new ATOM 0 HZ1 LYS A 90 -6.810 17.823 2.833 1.00 51.44 H new ATOM 0 HZ2 LYS A 90 -5.245 17.299 3.233 1.00 51.44 H new ATOM 0 HZ3 LYS A 90 -5.611 18.957 3.229 1.00 51.44 H new ATOM 1560 N ASN A 91 -3.317 12.837 0.754 1.00 70.20 N ATOM 1561 CA ASN A 91 -3.022 11.629 -0.008 1.00 42.44 C ATOM 1562 C ASN A 91 -1.936 11.912 -1.039 1.00 61.41 C ATOM 1563 O ASN A 91 -1.978 12.933 -1.725 1.00 54.14 O ATOM 1564 CB ASN A 91 -4.276 11.110 -0.733 1.00 73.21 C ATOM 1565 CG ASN A 91 -5.250 10.374 0.169 1.00 51.13 C ATOM 1566 OD1 ASN A 91 -5.364 10.660 1.358 1.00 12.22 O ATOM 1567 ND2 ASN A 91 -5.972 9.421 -0.404 1.00 55.20 N ATOM 0 H ASN A 91 -4.202 13.282 0.511 1.00 70.20 H new ATOM 0 HA ASN A 91 -2.680 10.869 0.694 1.00 42.44 H new ATOM 0 HB2 ASN A 91 -4.790 11.952 -1.196 1.00 73.21 H new ATOM 0 HB3 ASN A 91 -3.968 10.443 -1.538 1.00 73.21 H new ATOM 0 HD21 ASN A 91 -6.652 8.896 0.146 1.00 55.20 H new ATOM 0 HD22 ASN A 91 -5.848 9.213 -1.395 1.00 55.20 H new ATOM 1574 N PRO A 92 -0.946 11.016 -1.166 1.00 23.34 N ATOM 1575 CA PRO A 92 0.125 11.158 -2.153 1.00 0.15 C ATOM 1576 C PRO A 92 -0.344 10.791 -3.556 1.00 1.34 C ATOM 1577 O PRO A 92 0.426 10.839 -4.517 1.00 11.21 O ATOM 1578 CB PRO A 92 1.182 10.172 -1.663 1.00 25.30 C ATOM 1579 CG PRO A 92 0.402 9.109 -0.975 1.00 2.42 C ATOM 1580 CD PRO A 92 -0.779 9.802 -0.346 1.00 23.41 C ATOM 0 HA PRO A 92 0.487 12.183 -2.231 1.00 0.15 H new ATOM 0 HB2 PRO A 92 1.762 9.766 -2.492 1.00 25.30 H new ATOM 0 HB3 PRO A 92 1.888 10.650 -0.984 1.00 25.30 H new ATOM 0 HG2 PRO A 92 0.076 8.345 -1.681 1.00 2.42 H new ATOM 0 HG3 PRO A 92 1.008 8.607 -0.220 1.00 2.42 H new ATOM 0 HD2 PRO A 92 -1.671 9.176 -0.370 1.00 23.41 H new ATOM 0 HD3 PRO A 92 -0.590 10.047 0.699 1.00 23.41 H new ATOM 1588 N THR A 93 -1.613 10.420 -3.665 1.00 60.40 N ATOM 1589 CA THR A 93 -2.210 10.093 -4.943 1.00 53.22 C ATOM 1590 C THR A 93 -2.442 11.362 -5.760 1.00 62.22 C ATOM 1591 O THR A 93 -3.502 11.989 -5.688 1.00 11.54 O ATOM 1592 CB THR A 93 -3.529 9.325 -4.745 1.00 13.21 C ATOM 1593 OG1 THR A 93 -4.317 9.970 -3.734 1.00 72.43 O ATOM 1594 CG2 THR A 93 -3.258 7.885 -4.332 1.00 31.43 C ATOM 0 H THR A 93 -2.250 10.339 -2.872 1.00 60.40 H new ATOM 0 HA THR A 93 -1.522 9.450 -5.492 1.00 53.22 H new ATOM 0 HB THR A 93 -4.071 9.322 -5.691 1.00 13.21 H new ATOM 0 HG1 THR A 93 -4.392 10.926 -3.938 1.00 72.43 H new ATOM 0 HG21 THR A 93 -4.204 7.361 -4.198 1.00 31.43 H new ATOM 0 HG22 THR A 93 -2.675 7.388 -5.107 1.00 31.43 H new ATOM 0 HG23 THR A 93 -2.701 7.874 -3.395 1.00 31.43 H new ATOM 1602 N TYR A 94 -1.413 11.755 -6.491 1.00 31.02 N ATOM 1603 CA TYR A 94 -1.437 12.975 -7.284 1.00 65.31 C ATOM 1604 C TYR A 94 -1.274 12.625 -8.754 1.00 34.12 C ATOM 1605 O TYR A 94 -2.184 12.807 -9.564 1.00 44.14 O ATOM 1606 CB TYR A 94 -0.301 13.892 -6.818 1.00 74.55 C ATOM 1607 CG TYR A 94 -0.261 15.252 -7.476 1.00 54.25 C ATOM 1608 CD1 TYR A 94 -1.127 16.261 -7.078 1.00 53.32 C ATOM 1609 CD2 TYR A 94 0.664 15.534 -8.473 1.00 41.35 C ATOM 1610 CE1 TYR A 94 -1.076 17.512 -7.657 1.00 64.43 C ATOM 1611 CE2 TYR A 94 0.728 16.785 -9.052 1.00 32.31 C ATOM 1612 CZ TYR A 94 -0.146 17.770 -8.641 1.00 42.22 C ATOM 1613 OH TYR A 94 -0.080 19.023 -9.205 1.00 44.25 O ATOM 0 H TYR A 94 -0.536 11.238 -6.552 1.00 31.02 H new ATOM 0 HA TYR A 94 -2.388 13.492 -7.154 1.00 65.31 H new ATOM 0 HB2 TYR A 94 -0.386 14.030 -5.740 1.00 74.55 H new ATOM 0 HB3 TYR A 94 0.649 13.389 -7.001 1.00 74.55 H new ATOM 0 HD1 TYR A 94 -1.852 16.064 -6.303 1.00 53.32 H new ATOM 0 HD2 TYR A 94 1.344 14.762 -8.800 1.00 41.35 H new ATOM 0 HE1 TYR A 94 -1.761 18.285 -7.341 1.00 64.43 H new ATOM 0 HE2 TYR A 94 1.457 16.991 -9.821 1.00 32.31 H new ATOM 0 HH TYR A 94 0.629 19.040 -9.882 1.00 44.25 H new ATOM 1623 N LYS A 95 -0.108 12.097 -9.080 1.00 53.22 N ATOM 1624 CA LYS A 95 0.174 11.623 -10.422 1.00 63.42 C ATOM 1625 C LYS A 95 0.315 10.108 -10.405 1.00 64.11 C ATOM 1626 O LYS A 95 1.094 9.525 -11.159 1.00 74.23 O ATOM 1627 CB LYS A 95 1.443 12.288 -10.964 1.00 33.14 C ATOM 1628 CG LYS A 95 2.626 12.246 -10.008 1.00 63.32 C ATOM 1629 CD LYS A 95 3.850 12.903 -10.621 1.00 41.00 C ATOM 1630 CE LYS A 95 3.582 14.351 -10.995 1.00 42.35 C ATOM 1631 NZ LYS A 95 4.722 14.947 -11.736 1.00 54.11 N ATOM 0 H LYS A 95 0.666 11.985 -8.425 1.00 53.22 H new ATOM 0 HA LYS A 95 -0.651 11.890 -11.083 1.00 63.42 H new ATOM 0 HB2 LYS A 95 1.726 11.799 -11.896 1.00 33.14 H new ATOM 0 HB3 LYS A 95 1.221 13.328 -11.204 1.00 33.14 H new ATOM 0 HG2 LYS A 95 2.365 12.753 -9.079 1.00 63.32 H new ATOM 0 HG3 LYS A 95 2.855 11.211 -9.753 1.00 63.32 H new ATOM 0 HD2 LYS A 95 4.680 12.857 -9.916 1.00 41.00 H new ATOM 0 HD3 LYS A 95 4.155 12.348 -11.508 1.00 41.00 H new ATOM 0 HE2 LYS A 95 2.681 14.408 -11.606 1.00 42.35 H new ATOM 0 HE3 LYS A 95 3.392 14.931 -10.092 1.00 42.35 H new ATOM 0 HZ1 LYS A 95 4.503 15.935 -11.974 1.00 54.11 H new ATOM 0 HZ2 LYS A 95 5.576 14.915 -11.143 1.00 54.11 H new ATOM 0 HZ3 LYS A 95 4.887 14.409 -12.610 1.00 54.11 H new ATOM 1645 N ALA A 96 -0.470 9.476 -9.542 1.00 23.25 N ATOM 1646 CA ALA A 96 -0.453 8.030 -9.404 1.00 63.40 C ATOM 1647 C ALA A 96 -1.308 7.390 -10.489 1.00 35.53 C ATOM 1648 O ALA A 96 -2.466 7.042 -10.260 1.00 71.21 O ATOM 1649 CB ALA A 96 -0.942 7.619 -8.023 1.00 22.21 C ATOM 0 H ALA A 96 -1.130 9.948 -8.924 1.00 23.25 H new ATOM 0 HA ALA A 96 0.573 7.680 -9.519 1.00 63.40 H new ATOM 0 HB1 ALA A 96 -0.922 6.532 -7.938 1.00 22.21 H new ATOM 0 HB2 ALA A 96 -0.293 8.054 -7.263 1.00 22.21 H new ATOM 0 HB3 ALA A 96 -1.962 7.976 -7.877 1.00 22.21 H new ATOM 1655 N GLU A 97 -0.741 7.280 -11.676 1.00 44.14 N ATOM 1656 CA GLU A 97 -1.456 6.747 -12.822 1.00 53.44 C ATOM 1657 C GLU A 97 -1.057 5.301 -13.069 1.00 2.43 C ATOM 1658 O GLU A 97 0.124 4.959 -13.045 1.00 33.41 O ATOM 1659 CB GLU A 97 -1.182 7.613 -14.052 1.00 52.04 C ATOM 1660 CG GLU A 97 -1.626 9.055 -13.862 1.00 65.42 C ATOM 1661 CD GLU A 97 -1.273 9.949 -15.029 1.00 32.40 C ATOM 1662 OE1 GLU A 97 -2.086 10.056 -15.970 1.00 51.31 O ATOM 1663 OE2 GLU A 97 -0.194 10.576 -14.998 1.00 61.25 O ATOM 0 H GLU A 97 0.221 7.555 -11.873 1.00 44.14 H new ATOM 0 HA GLU A 97 -2.527 6.767 -12.618 1.00 53.44 H new ATOM 0 HB2 GLU A 97 -0.116 7.592 -14.277 1.00 52.04 H new ATOM 0 HB3 GLU A 97 -1.698 7.188 -14.913 1.00 52.04 H new ATOM 0 HG2 GLU A 97 -2.705 9.078 -13.709 1.00 65.42 H new ATOM 0 HG3 GLU A 97 -1.167 9.453 -12.957 1.00 65.42 H new ATOM 1670 N LEU A 98 -2.051 4.457 -13.294 1.00 50.42 N ATOM 1671 CA LEU A 98 -1.822 3.033 -13.452 1.00 61.22 C ATOM 1672 C LEU A 98 -1.454 2.704 -14.890 1.00 4.15 C ATOM 1673 O LEU A 98 -2.259 2.883 -15.804 1.00 34.52 O ATOM 1674 CB LEU A 98 -3.071 2.251 -13.036 1.00 55.21 C ATOM 1675 CG LEU A 98 -3.512 2.454 -11.586 1.00 1.42 C ATOM 1676 CD1 LEU A 98 -4.811 1.711 -11.315 1.00 60.23 C ATOM 1677 CD2 LEU A 98 -2.422 1.999 -10.627 1.00 65.03 C ATOM 0 H LEU A 98 -3.029 4.737 -13.371 1.00 50.42 H new ATOM 0 HA LEU A 98 -0.990 2.744 -12.809 1.00 61.22 H new ATOM 0 HB2 LEU A 98 -3.894 2.535 -13.692 1.00 55.21 H new ATOM 0 HB3 LEU A 98 -2.886 1.189 -13.198 1.00 55.21 H new ATOM 0 HG LEU A 98 -3.686 3.518 -11.424 1.00 1.42 H new ATOM 0 HD11 LEU A 98 -5.110 1.867 -10.278 1.00 60.23 H new ATOM 0 HD12 LEU A 98 -5.590 2.087 -11.978 1.00 60.23 H new ATOM 0 HD13 LEU A 98 -4.665 0.646 -11.494 1.00 60.23 H new ATOM 0 HD21 LEU A 98 -2.754 2.151 -9.600 1.00 65.03 H new ATOM 0 HD22 LEU A 98 -2.214 0.941 -10.788 1.00 65.03 H new ATOM 0 HD23 LEU A 98 -1.516 2.578 -10.805 1.00 65.03 H new ATOM 1689 N HIS A 99 -0.231 2.239 -15.087 1.00 4.10 N ATOM 1690 CA HIS A 99 0.240 1.871 -16.413 1.00 3.40 C ATOM 1691 C HIS A 99 1.130 0.635 -16.326 1.00 54.13 C ATOM 1692 O HIS A 99 2.279 0.719 -15.893 1.00 11.23 O ATOM 1693 CB HIS A 99 1.010 3.038 -17.041 1.00 63.34 C ATOM 1694 CG HIS A 99 1.364 2.826 -18.479 1.00 31.32 C ATOM 1695 ND1 HIS A 99 2.613 2.424 -18.899 1.00 15.53 N ATOM 1696 CD2 HIS A 99 0.623 2.973 -19.601 1.00 63.01 C ATOM 1697 CE1 HIS A 99 2.623 2.332 -20.214 1.00 5.41 C ATOM 1698 NE2 HIS A 99 1.429 2.660 -20.668 1.00 43.14 N ATOM 0 H HIS A 99 0.455 2.107 -14.344 1.00 4.10 H new ATOM 0 HA HIS A 99 -0.619 1.641 -17.043 1.00 3.40 H new ATOM 0 HB2 HIS A 99 0.411 3.944 -16.954 1.00 63.34 H new ATOM 0 HB3 HIS A 99 1.925 3.205 -16.472 1.00 63.34 H new ATOM 0 HD2 HIS A 99 -0.411 3.280 -19.649 1.00 63.01 H new ATOM 0 HE1 HIS A 99 3.468 2.037 -20.819 1.00 5.41 H new ATOM 0 HE2 HIS A 99 1.150 2.678 -21.649 1.00 43.14 H new ATOM 1707 N ALA A 100 0.587 -0.508 -16.718 1.00 73.32 N ATOM 1708 CA ALA A 100 1.329 -1.761 -16.668 1.00 63.41 C ATOM 1709 C ALA A 100 2.242 -1.899 -17.879 1.00 14.21 C ATOM 1710 O ALA A 100 1.780 -1.906 -19.021 1.00 0.31 O ATOM 1711 CB ALA A 100 0.371 -2.942 -16.582 1.00 42.13 C ATOM 0 H ALA A 100 -0.365 -0.595 -17.074 1.00 73.32 H new ATOM 0 HA ALA A 100 1.952 -1.754 -15.774 1.00 63.41 H new ATOM 0 HB1 ALA A 100 0.941 -3.871 -16.545 1.00 42.13 H new ATOM 0 HB2 ALA A 100 -0.236 -2.853 -15.681 1.00 42.13 H new ATOM 0 HB3 ALA A 100 -0.278 -2.949 -17.458 1.00 42.13 H new ATOM 1717 N SER A 101 3.534 -2.008 -17.620 1.00 53.22 N ATOM 1718 CA SER A 101 4.528 -2.146 -18.675 1.00 45.15 C ATOM 1719 C SER A 101 5.292 -3.457 -18.515 1.00 24.13 C ATOM 1720 O SER A 101 6.469 -3.557 -18.859 1.00 3.44 O ATOM 1721 CB SER A 101 5.495 -0.962 -18.635 1.00 34.12 C ATOM 1722 OG SER A 101 4.811 0.268 -18.825 1.00 53.51 O ATOM 0 H SER A 101 3.924 -2.004 -16.677 1.00 53.22 H new ATOM 0 HA SER A 101 4.020 -2.157 -19.639 1.00 45.15 H new ATOM 0 HB2 SER A 101 6.016 -0.947 -17.678 1.00 34.12 H new ATOM 0 HB3 SER A 101 6.253 -1.082 -19.409 1.00 34.12 H new ATOM 0 HG SER A 101 5.453 1.008 -18.793 1.00 53.51 H new