USER MOD reduce.3.24.130724 H: found=0, std=0, add=1117, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1120 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 72 SER OG : rot -116:sc= 0.227 USER MOD Set 1.2: A 132 SER OG : rot 110:sc= 0.251 USER MOD Set 2.1: A 96 SER OG : rot 73:sc= 1.63 USER MOD Set 2.2: A 142 LYS NZ :NH3+ 155:sc= 2.38 (180deg=0.65) USER MOD Set 3.1: A 18 HIS : no HE2:sc= 0.687 K(o=-0.88,f=-6.5!) USER MOD Set 3.2: A 24 ASN :FLIP amide:sc= -1.57! F(o=-1.5,f=-0.88!) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= 0.173 USER MOD Set 4.2: A 9 THR OG1 : rot -129:sc= -0.196 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.28 (180deg=1.04) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 6 ASN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 25 LYS NZ :NH3+ -146:sc= 0.99 (180deg=-1.37) USER MOD Single : A 29 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.21) USER MOD Single : A 31 SER OG : rot -77:sc= 0.645 USER MOD Single : A 36 MET CE :methyl 123:sc= -0.184 (180deg=-0.386) USER MOD Single : A 37 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.055) USER MOD Single : A 38 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -100:sc= 0.385 USER MOD Single : A 49 MET CE :methyl 167:sc= -0.879 (180deg=-1.81) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= -0.446 (180deg=-0.688) USER MOD Single : A 60 LYS NZ :NH3+ -139:sc= 1.35 (180deg=-0.558) USER MOD Single : A 67 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 69 SER OG : rot -121:sc= 1.46 USER MOD Single : A 70 MET CE :methyl 154:sc= -0.117 (180deg=-0.706) USER MOD Single : A 74 SER OG : rot -11:sc= 1.04 USER MOD Single : A 75 MET CE :methyl 172:sc= 0 (180deg=-0.0665) USER MOD Single : A 76 MET CE :methyl -117:sc= -2.72! (180deg=-6.32!) USER MOD Single : A 77 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.06) USER MOD Single : A 83 LYS NZ :NH3+ -160:sc= 2.41 (180deg=1.61) USER MOD Single : A 87 THR OG1 : rot 124:sc= 1.21 USER MOD Single : A 90 SER OG : rot 28:sc= 0.167 USER MOD Single : A 91 MET CE :methyl -152:sc= -0.201 (180deg=-1.68!) USER MOD Single : A 92 SER OG : rot -80:sc= -1.34! USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 2.39 (180deg=2.33) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.098 USER MOD Single : A 117 GLN : amide:sc= 0.646 K(o=0.65,f=-0.21) USER MOD Single : A 120 SER OG : rot 40:sc= 1.2 USER MOD Single : A 121 LYS NZ :NH3+ -145:sc= -3.02! (180deg=-5.01!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 76:sc= 0.509 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ -172:sc=-0.00665 (180deg=-0.106) USER MOD Single : A 147 ASN : amide:sc= -0.0796 K(o=-0.08,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.112 1.773 17.162 1.00 0.00 N ATOM 2 CA MET A 1 -15.310 0.821 17.964 1.00 0.00 C ATOM 3 C MET A 1 -15.953 -0.557 17.981 1.00 0.00 C ATOM 4 O MET A 1 -17.002 -0.764 18.591 1.00 0.00 O ATOM 5 CB MET A 1 -15.125 1.337 19.393 1.00 0.00 C ATOM 6 CG MET A 1 -14.060 2.415 19.509 1.00 0.00 C ATOM 7 SD MET A 1 -14.423 3.873 18.510 1.00 0.00 S ATOM 8 CE MET A 1 -12.916 4.816 18.737 1.00 0.00 C ATOM 0 H1 MET A 1 -15.782 2.743 17.342 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.004 1.553 16.151 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.114 1.693 17.428 1.00 0.00 H new ATOM 0 HA MET A 1 -14.330 0.735 17.495 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.074 1.733 19.755 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.860 0.502 20.042 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.963 2.712 20.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.098 2.002 19.204 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.984 5.750 18.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.780 5.035 19.796 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.067 4.238 18.374 1.00 0.00 H new ATOM 20 N SER A 2 -15.309 -1.493 17.305 1.00 0.00 N ATOM 21 CA SER A 2 -15.791 -2.858 17.218 1.00 0.00 C ATOM 22 C SER A 2 -14.609 -3.812 17.065 1.00 0.00 C ATOM 23 O SER A 2 -14.673 -4.794 16.323 1.00 0.00 O ATOM 24 CB SER A 2 -16.764 -2.997 16.043 1.00 0.00 C ATOM 25 OG SER A 2 -16.228 -2.427 14.863 1.00 0.00 O ATOM 0 H SER A 2 -14.438 -1.327 16.802 1.00 0.00 H new ATOM 0 HA SER A 2 -16.325 -3.114 18.133 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.985 -4.051 15.873 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.707 -2.510 16.289 1.00 0.00 H new ATOM 0 HG SER A 2 -16.869 -2.531 14.129 1.00 0.00 H new ATOM 31 N PHE A 3 -13.538 -3.521 17.805 1.00 0.00 N ATOM 32 CA PHE A 3 -12.309 -4.319 17.768 1.00 0.00 C ATOM 33 C PHE A 3 -12.538 -5.744 18.275 1.00 0.00 C ATOM 34 O PHE A 3 -11.633 -6.580 18.247 1.00 0.00 O ATOM 35 CB PHE A 3 -11.201 -3.636 18.586 1.00 0.00 C ATOM 36 CG PHE A 3 -11.581 -3.327 20.009 1.00 0.00 C ATOM 37 CD1 PHE A 3 -11.354 -4.249 21.020 1.00 0.00 C ATOM 38 CD2 PHE A 3 -12.156 -2.108 20.337 1.00 0.00 C ATOM 39 CE1 PHE A 3 -11.698 -3.962 22.328 1.00 0.00 C ATOM 40 CE2 PHE A 3 -12.500 -1.816 21.642 1.00 0.00 C ATOM 41 CZ PHE A 3 -12.271 -2.743 22.638 1.00 0.00 C ATOM 0 H PHE A 3 -13.497 -2.728 18.445 1.00 0.00 H new ATOM 0 HA PHE A 3 -11.996 -4.386 16.726 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -10.320 -4.278 18.589 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -10.918 -2.708 18.088 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -10.904 -5.202 20.783 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -12.337 -1.378 19.562 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -11.519 -4.689 23.106 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -12.948 -0.863 21.883 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.539 -2.516 23.659 1.00 0.00 H new ATOM 51 N ASN A 4 -13.748 -6.008 18.752 1.00 0.00 N ATOM 52 CA ASN A 4 -14.146 -7.354 19.139 1.00 0.00 C ATOM 53 C ASN A 4 -14.146 -8.256 17.912 1.00 0.00 C ATOM 54 O ASN A 4 -13.882 -9.456 18.003 1.00 0.00 O ATOM 55 CB ASN A 4 -15.530 -7.335 19.788 1.00 0.00 C ATOM 56 CG ASN A 4 -15.589 -6.416 20.992 1.00 0.00 C ATOM 57 OD1 ASN A 4 -15.894 -5.227 20.871 1.00 0.00 O ATOM 58 ND2 ASN A 4 -15.301 -6.955 22.163 1.00 0.00 N ATOM 0 H ASN A 4 -14.474 -5.303 18.880 1.00 0.00 H new ATOM 0 HA ASN A 4 -13.434 -7.742 19.868 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -16.269 -7.015 19.053 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -15.800 -8.346 20.092 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -15.326 -6.384 23.008 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -15.053 -7.943 22.223 1.00 0.00 H new ATOM 65 N ALA A 5 -14.440 -7.655 16.766 1.00 0.00 N ATOM 66 CA ALA A 5 -14.318 -8.327 15.485 1.00 0.00 C ATOM 67 C ALA A 5 -12.988 -7.940 14.858 1.00 0.00 C ATOM 68 O ALA A 5 -12.796 -6.786 14.464 1.00 0.00 O ATOM 69 CB ALA A 5 -15.479 -7.960 14.572 1.00 0.00 C ATOM 0 H ALA A 5 -14.768 -6.691 16.701 1.00 0.00 H new ATOM 0 HA ALA A 5 -14.349 -9.407 15.631 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.368 -8.474 13.617 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.417 -8.259 15.039 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -15.484 -6.883 14.405 1.00 0.00 H new ATOM 75 N ASN A 6 -12.081 -8.907 14.778 1.00 0.00 N ATOM 76 CA ASN A 6 -10.686 -8.654 14.414 1.00 0.00 C ATOM 77 C ASN A 6 -10.555 -8.010 13.039 1.00 0.00 C ATOM 78 O ASN A 6 -10.321 -6.807 12.924 1.00 0.00 O ATOM 79 CB ASN A 6 -9.882 -9.958 14.442 1.00 0.00 C ATOM 80 CG ASN A 6 -9.880 -10.619 15.807 1.00 0.00 C ATOM 81 OD1 ASN A 6 -9.913 -9.817 16.863 1.00 0.00 O flip ATOM 82 ND2 ASN A 6 -9.835 -11.843 15.911 1.00 0.00 N flip ATOM 0 H ASN A 6 -12.289 -9.888 14.963 1.00 0.00 H new ATOM 0 HA ASN A 6 -10.289 -7.956 15.151 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.296 -10.650 13.709 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -8.855 -9.752 14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -9.811 -12.425 15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -9.822 -12.276 16.834 1.00 0.00 H new ATOM 89 N LEU A 7 -10.713 -8.809 11.999 1.00 0.00 N ATOM 90 CA LEU A 7 -10.554 -8.327 10.639 1.00 0.00 C ATOM 91 C LEU A 7 -11.917 -8.068 10.026 1.00 0.00 C ATOM 92 O LEU A 7 -12.045 -7.290 9.078 1.00 0.00 O ATOM 93 CB LEU A 7 -9.777 -9.349 9.800 1.00 0.00 C ATOM 94 CG LEU A 7 -9.470 -8.921 8.359 1.00 0.00 C ATOM 95 CD1 LEU A 7 -8.577 -7.688 8.340 1.00 0.00 C ATOM 96 CD2 LEU A 7 -8.820 -10.063 7.591 1.00 0.00 C ATOM 0 H LEU A 7 -10.952 -9.798 12.071 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.989 -7.395 10.655 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.836 -9.567 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.346 -10.278 9.772 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.411 -8.667 7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.372 -7.403 7.308 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.080 -6.867 8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.638 -7.911 8.848 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -8.609 -9.742 6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.889 -10.348 8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.496 -10.918 7.570 1.00 0.00 H new ATOM 108 N ASP A 8 -12.935 -8.714 10.601 1.00 0.00 N ATOM 109 CA ASP A 8 -14.315 -8.611 10.127 1.00 0.00 C ATOM 110 C ASP A 8 -14.712 -7.159 9.932 1.00 0.00 C ATOM 111 O ASP A 8 -15.282 -6.790 8.905 1.00 0.00 O ATOM 112 CB ASP A 8 -15.276 -9.257 11.130 1.00 0.00 C ATOM 113 CG ASP A 8 -14.961 -10.712 11.405 1.00 0.00 C ATOM 114 OD1 ASP A 8 -14.035 -10.985 12.196 1.00 0.00 O ATOM 115 OD2 ASP A 8 -15.640 -11.594 10.836 1.00 0.00 O ATOM 0 H ASP A 8 -12.823 -9.324 11.410 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.376 -9.133 9.172 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -15.241 -8.701 12.067 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.295 -9.178 10.750 1.00 0.00 H new ATOM 120 N THR A 9 -14.378 -6.338 10.919 1.00 0.00 N ATOM 121 CA THR A 9 -14.729 -4.927 10.894 1.00 0.00 C ATOM 122 C THR A 9 -14.070 -4.216 9.716 1.00 0.00 C ATOM 123 O THR A 9 -14.711 -3.449 9.002 1.00 0.00 O ATOM 124 CB THR A 9 -14.307 -4.228 12.204 1.00 0.00 C ATOM 125 OG1 THR A 9 -14.958 -4.850 13.320 1.00 0.00 O ATOM 126 CG2 THR A 9 -14.651 -2.745 12.172 1.00 0.00 C ATOM 0 H THR A 9 -13.862 -6.628 11.750 1.00 0.00 H new ATOM 0 HA THR A 9 -15.812 -4.868 10.787 1.00 0.00 H new ATOM 0 HB THR A 9 -13.226 -4.327 12.308 1.00 0.00 H new ATOM 0 HG1 THR A 9 -15.389 -4.164 13.871 1.00 0.00 H new ATOM 0 HG21 THR A 9 -14.342 -2.280 13.108 1.00 0.00 H new ATOM 0 HG22 THR A 9 -14.131 -2.269 11.341 1.00 0.00 H new ATOM 0 HG23 THR A 9 -15.727 -2.624 12.044 1.00 0.00 H new ATOM 134 N LEU A 10 -12.799 -4.514 9.494 1.00 0.00 N ATOM 135 CA LEU A 10 -11.999 -3.778 8.529 1.00 0.00 C ATOM 136 C LEU A 10 -12.322 -4.176 7.093 1.00 0.00 C ATOM 137 O LEU A 10 -12.718 -3.337 6.296 1.00 0.00 O ATOM 138 CB LEU A 10 -10.500 -3.970 8.802 1.00 0.00 C ATOM 139 CG LEU A 10 -9.948 -3.251 10.043 1.00 0.00 C ATOM 140 CD1 LEU A 10 -10.344 -1.781 10.035 1.00 0.00 C ATOM 141 CD2 LEU A 10 -10.408 -3.930 11.328 1.00 0.00 C ATOM 0 H LEU A 10 -12.298 -5.264 9.971 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.252 -2.724 8.647 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.303 -5.037 8.906 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.944 -3.627 7.929 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.860 -3.313 10.007 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.943 -1.291 10.922 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.942 -1.301 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.431 -1.697 10.034 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -10.000 -3.397 12.187 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.497 -3.918 11.376 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.056 -4.962 11.341 1.00 0.00 H new ATOM 153 N TYR A 11 -12.195 -5.457 6.775 1.00 0.00 N ATOM 154 CA TYR A 11 -12.258 -5.897 5.386 1.00 0.00 C ATOM 155 C TYR A 11 -13.665 -5.729 4.829 1.00 0.00 C ATOM 156 O TYR A 11 -13.833 -5.348 3.674 1.00 0.00 O ATOM 157 CB TYR A 11 -11.766 -7.352 5.214 1.00 0.00 C ATOM 158 CG TYR A 11 -12.785 -8.431 5.532 1.00 0.00 C ATOM 159 CD1 TYR A 11 -13.644 -8.913 4.550 1.00 0.00 C ATOM 160 CD2 TYR A 11 -12.883 -8.970 6.804 1.00 0.00 C ATOM 161 CE1 TYR A 11 -14.570 -9.899 4.831 1.00 0.00 C ATOM 162 CE2 TYR A 11 -13.806 -9.957 7.095 1.00 0.00 C ATOM 163 CZ TYR A 11 -14.648 -10.416 6.107 1.00 0.00 C ATOM 164 OH TYR A 11 -15.572 -11.394 6.398 1.00 0.00 O ATOM 0 H TYR A 11 -12.049 -6.205 7.453 1.00 0.00 H new ATOM 0 HA TYR A 11 -11.582 -5.261 4.815 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.432 -7.484 4.185 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.895 -7.500 5.853 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -13.586 -8.509 3.550 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -12.226 -8.613 7.583 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -15.229 -10.263 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.866 -10.366 8.093 1.00 0.00 H new ATOM 0 HH TYR A 11 -15.493 -11.648 7.341 1.00 0.00 H new ATOM 174 N ARG A 12 -14.674 -5.986 5.653 1.00 0.00 N ATOM 175 CA ARG A 12 -16.049 -5.845 5.206 1.00 0.00 C ATOM 176 C ARG A 12 -16.358 -4.372 4.976 1.00 0.00 C ATOM 177 O ARG A 12 -17.050 -4.010 4.025 1.00 0.00 O ATOM 178 CB ARG A 12 -17.017 -6.455 6.222 1.00 0.00 C ATOM 179 CG ARG A 12 -18.445 -6.553 5.712 1.00 0.00 C ATOM 180 CD ARG A 12 -19.358 -7.239 6.716 1.00 0.00 C ATOM 181 NE ARG A 12 -18.924 -8.606 7.007 1.00 0.00 N ATOM 182 CZ ARG A 12 -19.544 -9.700 6.558 1.00 0.00 C ATOM 183 NH1 ARG A 12 -20.594 -9.593 5.755 1.00 0.00 N ATOM 184 NH2 ARG A 12 -19.102 -10.901 6.905 1.00 0.00 N ATOM 0 H ARG A 12 -14.566 -6.289 6.621 1.00 0.00 H new ATOM 0 HA ARG A 12 -16.176 -6.385 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -16.667 -7.451 6.494 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -17.004 -5.854 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -18.824 -5.553 5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -18.458 -7.105 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -19.380 -6.661 7.640 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -20.376 -7.257 6.327 1.00 0.00 H new ATOM 0 HE ARG A 12 -18.096 -8.731 7.589 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -20.932 -8.672 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -21.064 -10.432 5.415 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -18.289 -10.989 7.515 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -19.575 -11.737 6.562 1.00 0.00 H new ATOM 198 N GLN A 13 -15.804 -3.526 5.836 1.00 0.00 N ATOM 199 CA GLN A 13 -15.938 -2.088 5.690 1.00 0.00 C ATOM 200 C GLN A 13 -15.182 -1.613 4.459 1.00 0.00 C ATOM 201 O GLN A 13 -15.714 -0.846 3.657 1.00 0.00 O ATOM 202 CB GLN A 13 -15.416 -1.370 6.938 1.00 0.00 C ATOM 203 CG GLN A 13 -15.513 0.144 6.866 1.00 0.00 C ATOM 204 CD GLN A 13 -14.946 0.822 8.098 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.986 0.275 9.201 1.00 0.00 O ATOM 206 NE2 GLN A 13 -14.411 2.019 7.921 1.00 0.00 N ATOM 0 H GLN A 13 -15.255 -3.817 6.645 1.00 0.00 H new ATOM 0 HA GLN A 13 -16.995 -1.850 5.570 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.976 -1.719 7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.375 -1.650 7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.980 0.497 5.983 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.557 0.432 6.745 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.397 2.439 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.013 2.522 8.714 1.00 0.00 H new ATOM 215 N VAL A 14 -13.947 -2.091 4.295 1.00 0.00 N ATOM 216 CA VAL A 14 -13.128 -1.671 3.162 1.00 0.00 C ATOM 217 C VAL A 14 -13.774 -2.089 1.841 1.00 0.00 C ATOM 218 O VAL A 14 -13.881 -1.285 0.915 1.00 0.00 O ATOM 219 CB VAL A 14 -11.688 -2.230 3.238 1.00 0.00 C ATOM 220 CG1 VAL A 14 -10.905 -1.888 1.976 1.00 0.00 C ATOM 221 CG2 VAL A 14 -10.968 -1.687 4.463 1.00 0.00 C ATOM 0 H VAL A 14 -13.499 -2.759 4.923 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.066 -0.584 3.208 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.752 -3.315 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.896 -2.292 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.404 -2.322 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.855 -0.805 1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.956 -2.091 4.500 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.922 -0.599 4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.509 -1.981 5.363 1.00 0.00 H new ATOM 231 N ILE A 15 -14.224 -3.338 1.765 1.00 0.00 N ATOM 232 CA ILE A 15 -14.850 -3.848 0.549 1.00 0.00 C ATOM 233 C ILE A 15 -16.146 -3.099 0.243 1.00 0.00 C ATOM 234 O ILE A 15 -16.383 -2.715 -0.899 1.00 0.00 O ATOM 235 CB ILE A 15 -15.130 -5.370 0.635 1.00 0.00 C ATOM 236 CG1 ILE A 15 -13.812 -6.150 0.737 1.00 0.00 C ATOM 237 CG2 ILE A 15 -15.936 -5.845 -0.570 1.00 0.00 C ATOM 238 CD1 ILE A 15 -12.866 -5.919 -0.426 1.00 0.00 C ATOM 0 H ILE A 15 -14.167 -4.013 2.527 1.00 0.00 H new ATOM 0 HA ILE A 15 -14.142 -3.680 -0.263 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.719 -5.557 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.308 -5.872 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -14.036 -7.215 0.804 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -16.119 -6.916 -0.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -16.888 -5.315 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.377 -5.643 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -11.959 -6.505 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.349 -6.225 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.610 -4.861 -0.482 1.00 0.00 H new ATOM 250 N MET A 16 -16.972 -2.877 1.263 1.00 0.00 N ATOM 251 CA MET A 16 -18.233 -2.159 1.078 1.00 0.00 C ATOM 252 C MET A 16 -17.981 -0.736 0.590 1.00 0.00 C ATOM 253 O MET A 16 -18.595 -0.280 -0.380 1.00 0.00 O ATOM 254 CB MET A 16 -19.030 -2.111 2.383 1.00 0.00 C ATOM 255 CG MET A 16 -20.353 -1.372 2.252 1.00 0.00 C ATOM 256 SD MET A 16 -21.136 -1.051 3.843 1.00 0.00 S ATOM 257 CE MET A 16 -22.607 -0.173 3.317 1.00 0.00 C ATOM 0 H MET A 16 -16.794 -3.181 2.220 1.00 0.00 H new ATOM 0 HA MET A 16 -18.810 -2.698 0.327 1.00 0.00 H new ATOM 0 HB2 MET A 16 -19.222 -3.129 2.721 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.427 -1.628 3.152 1.00 0.00 H new ATOM 0 HG2 MET A 16 -20.186 -0.426 1.737 1.00 0.00 H new ATOM 0 HG3 MET A 16 -21.031 -1.957 1.631 1.00 0.00 H new ATOM 0 HE1 MET A 16 -23.201 0.097 4.190 1.00 0.00 H new ATOM 0 HE2 MET A 16 -22.319 0.731 2.781 1.00 0.00 H new ATOM 0 HE3 MET A 16 -23.197 -0.812 2.660 1.00 0.00 H new ATOM 267 N ASP A 17 -17.075 -0.043 1.271 1.00 0.00 N ATOM 268 CA ASP A 17 -16.728 1.335 0.931 1.00 0.00 C ATOM 269 C ASP A 17 -16.191 1.426 -0.490 1.00 0.00 C ATOM 270 O ASP A 17 -16.641 2.245 -1.290 1.00 0.00 O ATOM 271 CB ASP A 17 -15.681 1.869 1.912 1.00 0.00 C ATOM 272 CG ASP A 17 -15.204 3.267 1.563 1.00 0.00 C ATOM 273 OD1 ASP A 17 -15.868 4.240 1.973 1.00 0.00 O ATOM 274 OD2 ASP A 17 -14.156 3.395 0.893 1.00 0.00 O ATOM 0 H ASP A 17 -16.562 -0.416 2.070 1.00 0.00 H new ATOM 0 HA ASP A 17 -17.632 1.940 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -16.102 1.875 2.917 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -14.827 1.192 1.928 1.00 0.00 H new ATOM 279 N HIS A 18 -15.252 0.550 -0.803 1.00 0.00 N ATOM 280 CA HIS A 18 -14.584 0.574 -2.090 1.00 0.00 C ATOM 281 C HIS A 18 -15.490 0.041 -3.198 1.00 0.00 C ATOM 282 O HIS A 18 -15.210 0.227 -4.376 1.00 0.00 O ATOM 283 CB HIS A 18 -13.280 -0.214 -2.026 1.00 0.00 C ATOM 284 CG HIS A 18 -12.293 0.197 -3.071 1.00 0.00 C ATOM 285 ND1 HIS A 18 -11.851 1.491 -3.209 1.00 0.00 N ATOM 286 CD2 HIS A 18 -11.654 -0.521 -4.018 1.00 0.00 C ATOM 287 CE1 HIS A 18 -10.982 1.554 -4.197 1.00 0.00 C ATOM 288 NE2 HIS A 18 -10.840 0.344 -4.708 1.00 0.00 N ATOM 0 H HIS A 18 -14.934 -0.191 -0.178 1.00 0.00 H new ATOM 0 HA HIS A 18 -14.350 1.611 -2.330 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.832 -0.084 -1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.498 -1.276 -2.139 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.149 2.280 -2.636 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -11.762 -1.580 -4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -10.472 2.445 -4.533 1.00 0.00 H new ATOM 297 N TYR A 19 -16.548 -0.662 -2.821 1.00 0.00 N ATOM 298 CA TYR A 19 -17.541 -1.109 -3.789 1.00 0.00 C ATOM 299 C TYR A 19 -18.440 0.059 -4.184 1.00 0.00 C ATOM 300 O TYR A 19 -18.913 0.141 -5.318 1.00 0.00 O ATOM 301 CB TYR A 19 -18.383 -2.243 -3.208 1.00 0.00 C ATOM 302 CG TYR A 19 -19.239 -2.955 -4.235 1.00 0.00 C ATOM 303 CD1 TYR A 19 -18.723 -4.000 -4.990 1.00 0.00 C ATOM 304 CD2 TYR A 19 -20.560 -2.581 -4.451 1.00 0.00 C ATOM 305 CE1 TYR A 19 -19.496 -4.651 -5.931 1.00 0.00 C ATOM 306 CE2 TYR A 19 -21.340 -3.227 -5.389 1.00 0.00 C ATOM 307 CZ TYR A 19 -20.805 -4.261 -6.128 1.00 0.00 C ATOM 308 OH TYR A 19 -21.579 -4.907 -7.067 1.00 0.00 O ATOM 0 H TYR A 19 -16.741 -0.934 -1.857 1.00 0.00 H new ATOM 0 HA TYR A 19 -17.024 -1.480 -4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.722 -2.968 -2.734 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -19.028 -1.841 -2.427 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -17.699 -4.309 -4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.983 -1.771 -3.875 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.078 -5.461 -6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.365 -2.924 -5.543 1.00 0.00 H new ATOM 0 HH TYR A 19 -22.476 -4.512 -7.080 1.00 0.00 H new ATOM 318 N LYS A 20 -18.665 0.967 -3.238 1.00 0.00 N ATOM 319 CA LYS A 20 -19.464 2.158 -3.498 1.00 0.00 C ATOM 320 C LYS A 20 -18.630 3.163 -4.286 1.00 0.00 C ATOM 321 O LYS A 20 -19.159 4.044 -4.968 1.00 0.00 O ATOM 322 CB LYS A 20 -19.972 2.763 -2.183 1.00 0.00 C ATOM 323 CG LYS A 20 -20.900 3.954 -2.369 1.00 0.00 C ATOM 324 CD LYS A 20 -21.571 4.351 -1.064 1.00 0.00 C ATOM 325 CE LYS A 20 -22.543 3.281 -0.589 1.00 0.00 C ATOM 326 NZ LYS A 20 -23.200 3.649 0.694 1.00 0.00 N ATOM 0 H LYS A 20 -18.305 0.900 -2.286 1.00 0.00 H new ATOM 0 HA LYS A 20 -20.337 1.888 -4.091 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -20.496 1.992 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.116 3.072 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -20.334 4.800 -2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -21.661 3.711 -3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -20.812 4.520 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -22.103 5.293 -1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -23.304 3.120 -1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -22.011 2.338 -0.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.853 2.892 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.477 3.778 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -23.730 4.535 0.571 1.00 0.00 H new ATOM 340 N ASN A 21 -17.318 3.002 -4.192 1.00 0.00 N ATOM 341 CA ASN A 21 -16.376 3.746 -5.021 1.00 0.00 C ATOM 342 C ASN A 21 -15.599 2.751 -5.875 1.00 0.00 C ATOM 343 O ASN A 21 -14.406 2.529 -5.656 1.00 0.00 O ATOM 344 CB ASN A 21 -15.410 4.568 -4.158 1.00 0.00 C ATOM 345 CG ASN A 21 -16.098 5.681 -3.390 1.00 0.00 C ATOM 346 OD1 ASN A 21 -17.078 6.266 -3.856 1.00 0.00 O ATOM 347 ND2 ASN A 21 -15.592 5.977 -2.201 1.00 0.00 N ATOM 0 H ASN A 21 -16.875 2.354 -3.541 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.925 4.443 -5.655 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.908 3.905 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.638 4.998 -4.796 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.015 6.713 -1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.780 5.469 -1.852 1.00 0.00 H new ATOM 354 N PRO A 22 -16.274 2.150 -6.872 1.00 0.00 N ATOM 355 CA PRO A 22 -15.822 0.910 -7.530 1.00 0.00 C ATOM 356 C PRO A 22 -14.669 1.088 -8.517 1.00 0.00 C ATOM 357 O PRO A 22 -14.621 0.425 -9.553 1.00 0.00 O ATOM 358 CB PRO A 22 -17.077 0.449 -8.266 1.00 0.00 C ATOM 359 CG PRO A 22 -17.796 1.708 -8.599 1.00 0.00 C ATOM 360 CD PRO A 22 -17.538 2.647 -7.455 1.00 0.00 C ATOM 0 HA PRO A 22 -15.421 0.208 -6.799 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.826 -0.114 -9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.687 -0.203 -7.641 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -17.434 2.128 -9.538 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -18.864 1.527 -8.722 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.443 3.678 -7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -18.350 2.625 -6.728 1.00 0.00 H new ATOM 368 N ARG A 23 -13.724 1.948 -8.189 1.00 0.00 N ATOM 369 CA ARG A 23 -12.551 2.123 -9.028 1.00 0.00 C ATOM 370 C ARG A 23 -11.349 1.414 -8.421 1.00 0.00 C ATOM 371 O ARG A 23 -10.649 1.968 -7.576 1.00 0.00 O ATOM 372 CB ARG A 23 -12.239 3.609 -9.248 1.00 0.00 C ATOM 373 CG ARG A 23 -12.530 4.075 -10.665 1.00 0.00 C ATOM 374 CD ARG A 23 -13.994 3.885 -11.018 1.00 0.00 C ATOM 375 NE ARG A 23 -14.230 3.958 -12.457 1.00 0.00 N ATOM 376 CZ ARG A 23 -15.432 3.840 -13.016 1.00 0.00 C ATOM 377 NH1 ARG A 23 -16.514 3.781 -12.249 1.00 0.00 N ATOM 378 NH2 ARG A 23 -15.554 3.822 -14.339 1.00 0.00 N ATOM 0 H ARG A 23 -13.743 2.533 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.768 1.678 -9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.825 4.205 -8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.189 3.791 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -12.263 5.127 -10.766 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.909 3.519 -11.368 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.333 2.919 -10.645 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -14.589 4.648 -10.515 1.00 0.00 H new ATOM 0 HE ARG A 23 -13.428 4.108 -13.069 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.423 3.826 -11.234 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -17.437 3.691 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.725 3.899 -14.929 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.476 3.731 -14.765 1.00 0.00 H new ATOM 392 N ASN A 24 -11.137 0.168 -8.826 1.00 0.00 N ATOM 393 CA ASN A 24 -9.967 -0.585 -8.390 1.00 0.00 C ATOM 394 C ASN A 24 -9.218 -1.097 -9.608 1.00 0.00 C ATOM 395 O ASN A 24 -8.370 -1.984 -9.517 1.00 0.00 O ATOM 396 CB ASN A 24 -10.372 -1.742 -7.468 1.00 0.00 C ATOM 397 CG ASN A 24 -9.255 -2.153 -6.518 1.00 0.00 C ATOM 398 OD1 ASN A 24 -8.603 -3.273 -6.783 1.00 0.00 O flip ATOM 399 ND2 ASN A 24 -9.006 -1.479 -5.523 1.00 0.00 N flip ATOM 0 H ASN A 24 -11.758 -0.342 -9.454 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.312 0.072 -7.819 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.248 -1.450 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.662 -2.600 -8.074 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.526 -0.620 -5.346 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.279 -1.778 -4.873 1.00 0.00 H new ATOM 406 N LYS A 25 -9.555 -0.520 -10.754 1.00 0.00 N ATOM 407 CA LYS A 25 -8.876 -0.822 -12.002 1.00 0.00 C ATOM 408 C LYS A 25 -8.219 0.428 -12.569 1.00 0.00 C ATOM 409 O LYS A 25 -8.808 1.147 -13.373 1.00 0.00 O ATOM 410 CB LYS A 25 -9.846 -1.407 -13.029 1.00 0.00 C ATOM 411 CG LYS A 25 -10.177 -2.868 -12.801 1.00 0.00 C ATOM 412 CD LYS A 25 -10.997 -3.429 -13.951 1.00 0.00 C ATOM 413 CE LYS A 25 -10.983 -4.946 -13.957 1.00 0.00 C ATOM 414 NZ LYS A 25 -9.596 -5.483 -13.939 1.00 0.00 N ATOM 0 H LYS A 25 -10.304 0.167 -10.842 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.107 -1.564 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.770 -0.829 -13.012 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.417 -1.293 -14.025 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.256 -3.440 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.730 -2.977 -11.868 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.025 -3.074 -13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.602 -3.057 -14.896 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.529 -5.318 -13.090 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.503 -5.311 -14.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.558 -6.364 -14.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.948 -4.785 -14.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.311 -5.676 -12.958 1.00 0.00 H new ATOM 428 N GLY A 26 -7.015 0.707 -12.110 1.00 0.00 N ATOM 429 CA GLY A 26 -6.255 1.811 -12.642 1.00 0.00 C ATOM 430 C GLY A 26 -4.962 1.335 -13.253 1.00 0.00 C ATOM 431 O GLY A 26 -4.156 0.693 -12.581 1.00 0.00 O ATOM 0 H GLY A 26 -6.546 0.183 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -6.845 2.334 -13.394 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.044 2.527 -11.848 1.00 0.00 H new ATOM 435 N VAL A 27 -4.752 1.642 -14.521 1.00 0.00 N ATOM 436 CA VAL A 27 -3.567 1.177 -15.218 1.00 0.00 C ATOM 437 C VAL A 27 -2.869 2.311 -15.963 1.00 0.00 C ATOM 438 O VAL A 27 -3.285 2.720 -17.049 1.00 0.00 O ATOM 439 CB VAL A 27 -3.899 0.018 -16.187 1.00 0.00 C ATOM 440 CG1 VAL A 27 -4.225 -1.241 -15.400 1.00 0.00 C ATOM 441 CG2 VAL A 27 -5.064 0.376 -17.105 1.00 0.00 C ATOM 0 H VAL A 27 -5.384 2.209 -15.087 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.881 0.801 -14.459 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.023 -0.161 -16.810 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.458 -2.052 -16.090 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.367 -1.520 -14.788 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.085 -1.055 -14.756 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.271 -0.460 -17.773 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.948 0.588 -16.504 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.806 1.256 -17.694 1.00 0.00 H new ATOM 451 N LEU A 28 -1.813 2.831 -15.359 1.00 0.00 N ATOM 452 CA LEU A 28 -1.033 3.894 -15.971 1.00 0.00 C ATOM 453 C LEU A 28 0.315 3.338 -16.430 1.00 0.00 C ATOM 454 O LEU A 28 0.615 2.163 -16.217 1.00 0.00 O ATOM 455 CB LEU A 28 -0.827 5.030 -14.956 1.00 0.00 C ATOM 456 CG LEU A 28 -0.250 6.338 -15.507 1.00 0.00 C ATOM 457 CD1 LEU A 28 -1.281 7.061 -16.357 1.00 0.00 C ATOM 458 CD2 LEU A 28 0.224 7.233 -14.369 1.00 0.00 C ATOM 0 H LEU A 28 -1.476 2.533 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.564 4.289 -16.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.787 5.250 -14.489 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.165 4.669 -14.169 1.00 0.00 H new ATOM 0 HG LEU A 28 0.606 6.097 -16.137 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.852 7.987 -16.739 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.574 6.425 -17.192 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.157 7.290 -15.750 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.631 8.158 -14.779 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.616 7.465 -13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.997 6.718 -13.799 1.00 0.00 H new ATOM 470 N ASN A 29 1.099 4.171 -17.090 1.00 0.00 N ATOM 471 CA ASN A 29 2.481 3.849 -17.414 1.00 0.00 C ATOM 472 C ASN A 29 3.247 5.147 -17.632 1.00 0.00 C ATOM 473 O ASN A 29 3.175 5.764 -18.692 1.00 0.00 O ATOM 474 CB ASN A 29 2.576 2.907 -18.633 1.00 0.00 C ATOM 475 CG ASN A 29 1.850 3.412 -19.872 1.00 0.00 C ATOM 476 OD1 ASN A 29 0.645 3.206 -20.029 1.00 0.00 O ATOM 477 ND2 ASN A 29 2.584 4.041 -20.776 1.00 0.00 N ATOM 0 H ASN A 29 0.798 5.089 -17.417 1.00 0.00 H new ATOM 0 HA ASN A 29 2.932 3.307 -16.583 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.627 2.754 -18.879 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.168 1.934 -18.358 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.155 4.374 -21.639 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.579 4.193 -20.609 1.00 0.00 H new ATOM 484 N ASP A 30 3.947 5.590 -16.599 1.00 0.00 N ATOM 485 CA ASP A 30 4.558 6.911 -16.619 1.00 0.00 C ATOM 486 C ASP A 30 5.929 6.908 -15.953 1.00 0.00 C ATOM 487 O ASP A 30 6.942 6.647 -16.599 1.00 0.00 O ATOM 488 CB ASP A 30 3.633 7.914 -15.925 1.00 0.00 C ATOM 489 CG ASP A 30 4.127 9.339 -16.026 1.00 0.00 C ATOM 490 OD1 ASP A 30 4.021 9.924 -17.122 1.00 0.00 O ATOM 491 OD2 ASP A 30 4.586 9.894 -15.003 1.00 0.00 O ATOM 0 H ASP A 30 4.106 5.059 -15.742 1.00 0.00 H new ATOM 0 HA ASP A 30 4.701 7.204 -17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.638 7.848 -16.366 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.535 7.643 -14.874 1.00 0.00 H new ATOM 496 N SER A 31 5.952 7.174 -14.657 1.00 0.00 N ATOM 497 CA SER A 31 7.199 7.252 -13.918 1.00 0.00 C ATOM 498 C SER A 31 7.357 6.050 -12.993 1.00 0.00 C ATOM 499 O SER A 31 8.246 5.219 -13.187 1.00 0.00 O ATOM 500 CB SER A 31 7.244 8.565 -13.137 1.00 0.00 C ATOM 501 OG SER A 31 5.939 8.961 -12.740 1.00 0.00 O ATOM 0 H SER A 31 5.117 7.340 -14.095 1.00 0.00 H new ATOM 0 HA SER A 31 8.034 7.232 -14.618 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.877 8.448 -12.257 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.694 9.344 -13.752 1.00 0.00 H new ATOM 0 HG SER A 31 5.463 9.338 -13.509 1.00 0.00 H new ATOM 507 N ILE A 32 6.487 5.946 -11.997 1.00 0.00 N ATOM 508 CA ILE A 32 6.503 4.796 -11.105 1.00 0.00 C ATOM 509 C ILE A 32 5.644 3.675 -11.671 1.00 0.00 C ATOM 510 O ILE A 32 4.450 3.851 -11.909 1.00 0.00 O ATOM 511 CB ILE A 32 6.022 5.148 -9.683 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.992 6.135 -9.033 1.00 0.00 C ATOM 513 CG2 ILE A 32 5.888 3.890 -8.834 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.589 6.540 -7.636 1.00 0.00 C ATOM 0 H ILE A 32 5.767 6.638 -11.788 1.00 0.00 H new ATOM 0 HA ILE A 32 7.540 4.467 -11.032 1.00 0.00 H new ATOM 0 HB ILE A 32 5.040 5.615 -9.752 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.986 5.689 -9.001 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.063 7.027 -9.656 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.548 4.160 -7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.165 3.216 -9.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.855 3.392 -8.766 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.321 7.241 -7.235 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.608 7.015 -7.664 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.546 5.656 -6.999 1.00 0.00 H new ATOM 526 N VAL A 33 6.266 2.531 -11.885 1.00 0.00 N ATOM 527 CA VAL A 33 5.586 1.375 -12.449 1.00 0.00 C ATOM 528 C VAL A 33 5.983 0.125 -11.675 1.00 0.00 C ATOM 529 O VAL A 33 6.986 -0.523 -11.991 1.00 0.00 O ATOM 530 CB VAL A 33 5.921 1.171 -13.949 1.00 0.00 C ATOM 531 CG1 VAL A 33 5.144 -0.006 -14.524 1.00 0.00 C ATOM 532 CG2 VAL A 33 5.645 2.433 -14.754 1.00 0.00 C ATOM 0 H VAL A 33 7.252 2.375 -11.675 1.00 0.00 H new ATOM 0 HA VAL A 33 4.514 1.554 -12.368 1.00 0.00 H new ATOM 0 HB VAL A 33 6.986 0.950 -14.021 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.396 -0.129 -15.577 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.404 -0.914 -13.980 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.075 0.181 -14.426 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.890 2.257 -15.801 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.591 2.697 -14.667 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.256 3.250 -14.371 1.00 0.00 H new ATOM 542 N VAL A 34 5.227 -0.191 -10.636 1.00 0.00 N ATOM 543 CA VAL A 34 5.522 -1.355 -9.822 1.00 0.00 C ATOM 544 C VAL A 34 4.455 -2.431 -9.990 1.00 0.00 C ATOM 545 O VAL A 34 3.293 -2.247 -9.629 1.00 0.00 O ATOM 546 CB VAL A 34 5.699 -0.999 -8.322 1.00 0.00 C ATOM 547 CG1 VAL A 34 6.984 -0.215 -8.109 1.00 0.00 C ATOM 548 CG2 VAL A 34 4.511 -0.208 -7.789 1.00 0.00 C ATOM 0 H VAL A 34 4.409 0.340 -10.339 1.00 0.00 H new ATOM 0 HA VAL A 34 6.474 -1.748 -10.178 1.00 0.00 H new ATOM 0 HB VAL A 34 5.756 -1.936 -7.768 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.092 0.026 -7.052 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.834 -0.815 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.948 0.707 -8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.671 0.023 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.409 0.719 -8.353 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.602 -0.800 -7.897 1.00 0.00 H new ATOM 558 N ASP A 35 4.860 -3.535 -10.598 1.00 0.00 N ATOM 559 CA ASP A 35 4.016 -4.713 -10.705 1.00 0.00 C ATOM 560 C ASP A 35 4.579 -5.796 -9.798 1.00 0.00 C ATOM 561 O ASP A 35 5.744 -6.172 -9.928 1.00 0.00 O ATOM 562 CB ASP A 35 3.965 -5.234 -12.148 1.00 0.00 C ATOM 563 CG ASP A 35 3.398 -4.232 -13.135 1.00 0.00 C ATOM 564 OD1 ASP A 35 2.162 -4.166 -13.279 1.00 0.00 O ATOM 565 OD2 ASP A 35 4.191 -3.530 -13.803 1.00 0.00 O ATOM 0 H ASP A 35 5.779 -3.639 -11.029 1.00 0.00 H new ATOM 0 HA ASP A 35 3.002 -4.447 -10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.972 -5.511 -12.461 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.362 -6.141 -12.177 1.00 0.00 H new ATOM 570 N MET A 36 3.770 -6.301 -8.886 1.00 0.00 N ATOM 571 CA MET A 36 4.237 -7.282 -7.931 1.00 0.00 C ATOM 572 C MET A 36 3.307 -8.474 -7.986 1.00 0.00 C ATOM 573 O MET A 36 2.104 -8.348 -7.767 1.00 0.00 O ATOM 574 CB MET A 36 4.289 -6.686 -6.517 1.00 0.00 C ATOM 575 CG MET A 36 5.252 -7.396 -5.572 1.00 0.00 C ATOM 576 SD MET A 36 4.777 -9.098 -5.202 1.00 0.00 S ATOM 577 CE MET A 36 6.130 -9.609 -4.149 1.00 0.00 C ATOM 0 H MET A 36 2.787 -6.047 -8.788 1.00 0.00 H new ATOM 0 HA MET A 36 5.251 -7.594 -8.183 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.575 -5.637 -6.588 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.288 -6.715 -6.086 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.249 -7.393 -6.013 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.314 -6.834 -4.640 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.737 -9.947 -3.190 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.675 -10.424 -4.626 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.804 -8.767 -3.988 1.00 0.00 H new ATOM 587 N ASN A 37 3.854 -9.609 -8.339 1.00 0.00 N ATOM 588 CA ASN A 37 3.050 -10.806 -8.501 1.00 0.00 C ATOM 589 C ASN A 37 3.419 -11.885 -7.493 1.00 0.00 C ATOM 590 O ASN A 37 4.597 -12.182 -7.270 1.00 0.00 O ATOM 591 CB ASN A 37 3.171 -11.356 -9.932 1.00 0.00 C ATOM 592 CG ASN A 37 4.574 -11.815 -10.294 1.00 0.00 C ATOM 593 OD1 ASN A 37 4.939 -12.971 -10.080 1.00 0.00 O ATOM 594 ND2 ASN A 37 5.366 -10.919 -10.862 1.00 0.00 N ATOM 0 H ASN A 37 4.850 -9.736 -8.521 1.00 0.00 H new ATOM 0 HA ASN A 37 2.015 -10.520 -8.316 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.483 -12.193 -10.049 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.858 -10.585 -10.636 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.313 -11.178 -11.138 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.029 -9.970 -11.024 1.00 0.00 H new ATOM 601 N ASN A 38 2.396 -12.446 -6.869 1.00 0.00 N ATOM 602 CA ASN A 38 2.533 -13.659 -6.083 1.00 0.00 C ATOM 603 C ASN A 38 1.905 -14.770 -6.911 1.00 0.00 C ATOM 604 O ASN A 38 0.681 -14.822 -7.048 1.00 0.00 O ATOM 605 CB ASN A 38 1.861 -13.490 -4.701 1.00 0.00 C ATOM 606 CG ASN A 38 1.856 -14.746 -3.831 1.00 0.00 C ATOM 607 OD1 ASN A 38 1.682 -15.862 -4.316 1.00 0.00 O ATOM 608 ND2 ASN A 38 2.045 -14.565 -2.524 1.00 0.00 N ATOM 0 H ASN A 38 1.447 -12.072 -6.894 1.00 0.00 H new ATOM 0 HA ASN A 38 3.575 -13.896 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.371 -12.693 -4.160 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.831 -13.165 -4.851 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.048 -15.367 -1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.186 -13.625 -2.155 1.00 0.00 H new ATOM 615 N PRO A 39 2.755 -15.637 -7.502 1.00 0.00 N ATOM 616 CA PRO A 39 2.389 -16.568 -8.600 1.00 0.00 C ATOM 617 C PRO A 39 1.384 -17.660 -8.226 1.00 0.00 C ATOM 618 O PRO A 39 1.497 -18.798 -8.685 1.00 0.00 O ATOM 619 CB PRO A 39 3.731 -17.213 -8.981 1.00 0.00 C ATOM 620 CG PRO A 39 4.775 -16.331 -8.396 1.00 0.00 C ATOM 621 CD PRO A 39 4.173 -15.774 -7.145 1.00 0.00 C ATOM 0 HA PRO A 39 1.887 -16.019 -9.397 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.806 -18.226 -8.585 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.839 -17.285 -10.063 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.685 -16.891 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.049 -15.535 -9.088 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.314 -16.442 -6.296 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.617 -14.816 -6.874 1.00 0.00 H new ATOM 629 N THR A 40 0.387 -17.301 -7.441 1.00 0.00 N ATOM 630 CA THR A 40 -0.660 -18.222 -7.049 1.00 0.00 C ATOM 631 C THR A 40 -1.700 -17.520 -6.180 1.00 0.00 C ATOM 632 O THR A 40 -2.895 -17.787 -6.292 1.00 0.00 O ATOM 633 CB THR A 40 -0.090 -19.453 -6.294 1.00 0.00 C ATOM 634 OG1 THR A 40 -1.151 -20.313 -5.855 1.00 0.00 O ATOM 635 CG2 THR A 40 0.750 -19.034 -5.092 1.00 0.00 C ATOM 0 H THR A 40 0.281 -16.362 -7.057 1.00 0.00 H new ATOM 0 HA THR A 40 -1.136 -18.575 -7.964 1.00 0.00 H new ATOM 0 HB THR A 40 0.550 -19.992 -6.993 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.773 -21.084 -5.383 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.132 -19.922 -4.588 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.585 -18.420 -5.428 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.134 -18.461 -4.399 1.00 0.00 H new ATOM 643 N CYS A 41 -1.253 -16.604 -5.328 1.00 0.00 N ATOM 644 CA CYS A 41 -2.126 -16.034 -4.318 1.00 0.00 C ATOM 645 C CYS A 41 -2.002 -14.512 -4.245 1.00 0.00 C ATOM 646 O CYS A 41 -2.356 -13.896 -3.218 1.00 0.00 O ATOM 647 CB CYS A 41 -1.829 -16.655 -2.960 1.00 0.00 C ATOM 648 SG CYS A 41 -3.047 -16.230 -1.697 1.00 0.00 S ATOM 0 H CYS A 41 -0.298 -16.245 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.153 -16.262 -4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.789 -17.739 -3.065 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -0.843 -16.330 -2.628 1.00 0.00 H new ATOM 654 N GLY A 42 -1.469 -13.926 -5.303 1.00 0.00 N ATOM 655 CA GLY A 42 -1.346 -12.484 -5.404 1.00 0.00 C ATOM 656 C GLY A 42 -0.963 -12.093 -6.812 1.00 0.00 C ATOM 657 O GLY A 42 -0.099 -11.248 -7.023 1.00 0.00 O ATOM 0 H GLY A 42 -1.111 -14.434 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.289 -12.011 -5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.594 -12.125 -4.701 1.00 0.00 H new ATOM 661 N ASP A 43 -1.611 -12.766 -7.753 1.00 0.00 N ATOM 662 CA ASP A 43 -1.326 -12.679 -9.192 1.00 0.00 C ATOM 663 C ASP A 43 -0.851 -11.310 -9.688 1.00 0.00 C ATOM 664 O ASP A 43 0.190 -11.241 -10.341 1.00 0.00 O ATOM 665 CB ASP A 43 -2.539 -13.138 -9.996 1.00 0.00 C ATOM 666 CG ASP A 43 -2.735 -14.638 -9.911 1.00 0.00 C ATOM 667 OD1 ASP A 43 -2.164 -15.364 -10.754 1.00 0.00 O ATOM 668 OD2 ASP A 43 -3.444 -15.098 -8.990 1.00 0.00 O ATOM 0 H ASP A 43 -2.373 -13.408 -7.537 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.479 -13.346 -9.352 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.432 -12.633 -9.627 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.416 -12.846 -11.039 1.00 0.00 H new ATOM 673 N ARG A 44 -1.580 -10.221 -9.435 1.00 0.00 N ATOM 674 CA ARG A 44 -1.091 -8.928 -9.890 1.00 0.00 C ATOM 675 C ARG A 44 -1.479 -7.804 -8.950 1.00 0.00 C ATOM 676 O ARG A 44 -2.602 -7.758 -8.460 1.00 0.00 O ATOM 677 CB ARG A 44 -1.608 -8.621 -11.302 1.00 0.00 C ATOM 678 CG ARG A 44 -1.158 -7.266 -11.832 1.00 0.00 C ATOM 679 CD ARG A 44 -1.659 -7.012 -13.246 1.00 0.00 C ATOM 680 NE ARG A 44 -1.032 -7.900 -14.226 1.00 0.00 N ATOM 681 CZ ARG A 44 -0.941 -7.623 -15.528 1.00 0.00 C ATOM 682 NH1 ARG A 44 -1.441 -6.488 -16.006 1.00 0.00 N ATOM 683 NH2 ARG A 44 -0.354 -8.487 -16.350 1.00 0.00 N ATOM 0 H ARG A 44 -2.472 -10.208 -8.940 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.003 -8.990 -9.905 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.266 -9.400 -11.983 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.697 -8.657 -11.297 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.522 -6.479 -11.171 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.069 -7.215 -11.818 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.740 -7.148 -13.276 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.460 -5.976 -13.519 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.642 -8.782 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.896 -5.826 -15.377 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.370 -6.279 -17.002 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.026 -9.360 -15.985 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.284 -8.277 -17.346 1.00 0.00 H new ATOM 697 N ILE A 45 -0.532 -6.921 -8.678 1.00 0.00 N ATOM 698 CA ILE A 45 -0.840 -5.632 -8.096 1.00 0.00 C ATOM 699 C ILE A 45 -0.138 -4.548 -8.910 1.00 0.00 C ATOM 700 O ILE A 45 1.050 -4.279 -8.736 1.00 0.00 O ATOM 701 CB ILE A 45 -0.466 -5.539 -6.588 1.00 0.00 C ATOM 702 CG1 ILE A 45 -0.740 -4.128 -6.051 1.00 0.00 C ATOM 703 CG2 ILE A 45 0.982 -5.930 -6.346 1.00 0.00 C ATOM 704 CD1 ILE A 45 -0.397 -3.954 -4.584 1.00 0.00 C ATOM 0 H ILE A 45 0.460 -7.078 -8.853 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.920 -5.489 -8.136 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.094 -6.247 -6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.167 -3.409 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.794 -3.891 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.207 -5.853 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.142 -6.956 -6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.638 -5.262 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.618 -2.932 -4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.989 -4.648 -3.987 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.663 -4.158 -4.432 1.00 0.00 H new ATOM 716 N ARG A 46 -0.862 -3.986 -9.862 1.00 0.00 N ATOM 717 CA ARG A 46 -0.319 -2.939 -10.705 1.00 0.00 C ATOM 718 C ARG A 46 -0.537 -1.585 -10.056 1.00 0.00 C ATOM 719 O ARG A 46 -1.671 -1.162 -9.850 1.00 0.00 O ATOM 720 CB ARG A 46 -0.950 -2.988 -12.100 1.00 0.00 C ATOM 721 CG ARG A 46 -0.778 -1.705 -12.897 1.00 0.00 C ATOM 722 CD ARG A 46 -0.672 -1.977 -14.384 1.00 0.00 C ATOM 723 NE ARG A 46 0.640 -2.514 -14.734 1.00 0.00 N ATOM 724 CZ ARG A 46 1.197 -2.405 -15.936 1.00 0.00 C ATOM 725 NH1 ARG A 46 0.506 -1.897 -16.952 1.00 0.00 N ATOM 726 NH2 ARG A 46 2.439 -2.825 -16.125 1.00 0.00 N ATOM 0 H ARG A 46 -1.828 -4.238 -10.070 1.00 0.00 H new ATOM 0 HA ARG A 46 0.753 -3.098 -10.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.510 -3.814 -12.659 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.014 -3.203 -12.000 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.623 -1.043 -12.708 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.117 -1.184 -12.558 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -1.447 -2.682 -14.683 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.849 -1.055 -14.938 1.00 0.00 H new ATOM 0 HE ARG A 46 1.163 -3.005 -14.009 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -0.456 -1.589 -16.811 1.00 0.00 H new ATOM 0 HH12 ARG A 46 0.938 -1.815 -17.872 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.964 -3.230 -15.350 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.870 -2.743 -17.046 1.00 0.00 H new ATOM 740 N LEU A 47 0.555 -0.931 -9.717 1.00 0.00 N ATOM 741 CA LEU A 47 0.505 0.374 -9.092 1.00 0.00 C ATOM 742 C LEU A 47 1.392 1.329 -9.880 1.00 0.00 C ATOM 743 O LEU A 47 2.618 1.234 -9.838 1.00 0.00 O ATOM 744 CB LEU A 47 0.976 0.265 -7.636 1.00 0.00 C ATOM 745 CG LEU A 47 0.370 1.272 -6.655 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.870 0.990 -5.251 1.00 0.00 C ATOM 747 CD2 LEU A 47 0.699 2.702 -7.048 1.00 0.00 C ATOM 0 H LEU A 47 1.499 -1.288 -9.866 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.516 0.756 -9.092 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.753 -0.740 -7.278 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.060 0.377 -7.617 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.714 1.160 -6.685 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.435 1.710 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.579 -0.018 -4.957 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.956 1.075 -5.228 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.252 3.389 -6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.781 2.838 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.300 2.907 -8.042 1.00 0.00 H new ATOM 759 N THR A 48 0.775 2.224 -10.630 1.00 0.00 N ATOM 760 CA THR A 48 1.519 3.139 -11.464 1.00 0.00 C ATOM 761 C THR A 48 1.280 4.581 -11.039 1.00 0.00 C ATOM 762 O THR A 48 0.178 5.107 -11.166 1.00 0.00 O ATOM 763 CB THR A 48 1.149 2.928 -12.937 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.238 2.566 -13.035 1.00 0.00 O ATOM 765 CG2 THR A 48 2.013 1.835 -13.545 1.00 0.00 C ATOM 0 H THR A 48 -0.238 2.334 -10.676 1.00 0.00 H new ATOM 0 HA THR A 48 2.583 2.934 -11.343 1.00 0.00 H new ATOM 0 HB THR A 48 1.322 3.854 -13.485 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.316 1.596 -13.149 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.740 1.695 -14.591 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.063 2.122 -13.479 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.857 0.903 -13.002 1.00 0.00 H new ATOM 773 N MET A 49 2.320 5.204 -10.515 1.00 0.00 N ATOM 774 CA MET A 49 2.206 6.531 -9.933 1.00 0.00 C ATOM 775 C MET A 49 2.777 7.590 -10.861 1.00 0.00 C ATOM 776 O MET A 49 3.541 7.283 -11.778 1.00 0.00 O ATOM 777 CB MET A 49 2.948 6.588 -8.597 1.00 0.00 C ATOM 778 CG MET A 49 2.426 5.616 -7.554 1.00 0.00 C ATOM 779 SD MET A 49 3.453 5.569 -6.074 1.00 0.00 S ATOM 780 CE MET A 49 3.384 7.283 -5.566 1.00 0.00 C ATOM 0 H MET A 49 3.260 4.810 -10.480 1.00 0.00 H new ATOM 0 HA MET A 49 1.146 6.733 -9.778 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.004 6.384 -8.772 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.881 7.601 -8.200 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.410 5.897 -7.278 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.374 4.617 -7.987 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.771 7.378 -4.551 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.988 7.888 -6.243 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.351 7.629 -5.594 1.00 0.00 H new ATOM 790 N LYS A 50 2.411 8.835 -10.610 1.00 0.00 N ATOM 791 CA LYS A 50 2.989 9.951 -11.314 1.00 0.00 C ATOM 792 C LYS A 50 3.425 10.996 -10.308 1.00 0.00 C ATOM 793 O LYS A 50 2.602 11.685 -9.706 1.00 0.00 O ATOM 794 CB LYS A 50 2.014 10.556 -12.325 1.00 0.00 C ATOM 795 CG LYS A 50 2.525 11.854 -12.938 1.00 0.00 C ATOM 796 CD LYS A 50 1.555 12.424 -13.955 1.00 0.00 C ATOM 797 CE LYS A 50 1.792 11.868 -15.347 1.00 0.00 C ATOM 798 NZ LYS A 50 3.148 12.211 -15.857 1.00 0.00 N ATOM 0 H LYS A 50 1.709 9.093 -9.916 1.00 0.00 H new ATOM 0 HA LYS A 50 3.851 9.594 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.828 9.834 -13.120 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.059 10.743 -11.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.693 12.586 -12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.488 11.674 -13.417 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.534 12.201 -13.645 1.00 0.00 H new ATOM 0 HD3 LYS A 50 1.651 13.509 -13.978 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.673 10.785 -15.330 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.037 12.261 -16.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.229 11.918 -16.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.296 13.238 -15.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.867 11.717 -15.291 1.00 0.00 H new ATOM 812 N LEU A 51 4.717 11.062 -10.093 1.00 0.00 N ATOM 813 CA LEU A 51 5.312 12.059 -9.232 1.00 0.00 C ATOM 814 C LEU A 51 6.064 13.062 -10.090 1.00 0.00 C ATOM 815 O LEU A 51 7.218 12.848 -10.468 1.00 0.00 O ATOM 816 CB LEU A 51 6.236 11.413 -8.172 1.00 0.00 C ATOM 817 CG LEU A 51 7.528 10.745 -8.671 1.00 0.00 C ATOM 818 CD1 LEU A 51 8.404 10.358 -7.492 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.226 9.523 -9.522 1.00 0.00 C ATOM 0 H LEU A 51 5.391 10.422 -10.513 1.00 0.00 H new ATOM 0 HA LEU A 51 4.525 12.576 -8.682 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.512 12.183 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.657 10.664 -7.632 1.00 0.00 H new ATOM 0 HG LEU A 51 8.060 11.464 -9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.316 9.886 -7.856 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.660 11.250 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.865 9.660 -6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 51 8.160 9.074 -9.859 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.667 8.797 -8.931 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.633 9.820 -10.387 1.00 0.00 H new ATOM 831 N ASP A 52 5.405 14.156 -10.426 1.00 0.00 N ATOM 832 CA ASP A 52 5.994 15.102 -11.366 1.00 0.00 C ATOM 833 C ASP A 52 6.771 16.169 -10.609 1.00 0.00 C ATOM 834 O ASP A 52 6.467 17.361 -10.647 1.00 0.00 O ATOM 835 CB ASP A 52 4.926 15.719 -12.292 1.00 0.00 C ATOM 836 CG ASP A 52 3.922 16.608 -11.581 1.00 0.00 C ATOM 837 OD1 ASP A 52 3.216 16.123 -10.682 1.00 0.00 O ATOM 838 OD2 ASP A 52 3.841 17.810 -11.928 1.00 0.00 O ATOM 0 H ASP A 52 4.482 14.411 -10.074 1.00 0.00 H new ATOM 0 HA ASP A 52 6.690 14.564 -12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.426 16.302 -13.066 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.389 14.915 -12.795 1.00 0.00 H new ATOM 843 N GLY A 53 7.803 15.711 -9.930 1.00 0.00 N ATOM 844 CA GLY A 53 8.609 16.581 -9.119 1.00 0.00 C ATOM 845 C GLY A 53 9.065 15.869 -7.869 1.00 0.00 C ATOM 846 O GLY A 53 9.980 15.047 -7.902 1.00 0.00 O ATOM 0 H GLY A 53 8.099 14.735 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.475 16.919 -9.688 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.038 17.470 -8.850 1.00 0.00 H new ATOM 850 N ASP A 54 8.378 16.165 -6.780 1.00 0.00 N ATOM 851 CA ASP A 54 8.662 15.571 -5.478 1.00 0.00 C ATOM 852 C ASP A 54 7.354 15.335 -4.737 1.00 0.00 C ATOM 853 O ASP A 54 7.312 15.336 -3.510 1.00 0.00 O ATOM 854 CB ASP A 54 9.573 16.482 -4.642 1.00 0.00 C ATOM 855 CG ASP A 54 11.007 16.524 -5.142 1.00 0.00 C ATOM 856 OD1 ASP A 54 11.812 15.660 -4.732 1.00 0.00 O ATOM 857 OD2 ASP A 54 11.340 17.434 -5.932 1.00 0.00 O ATOM 0 H ASP A 54 7.602 16.827 -6.770 1.00 0.00 H new ATOM 0 HA ASP A 54 9.179 14.624 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.165 17.493 -4.645 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.567 16.139 -3.607 1.00 0.00 H new ATOM 862 N ILE A 55 6.294 15.087 -5.499 1.00 0.00 N ATOM 863 CA ILE A 55 4.970 14.948 -4.971 1.00 0.00 C ATOM 864 C ILE A 55 4.303 13.777 -5.651 1.00 0.00 C ATOM 865 O ILE A 55 4.700 13.381 -6.737 1.00 0.00 O ATOM 866 CB ILE A 55 4.117 16.227 -5.200 1.00 0.00 C ATOM 867 CG1 ILE A 55 4.407 16.867 -6.572 1.00 0.00 C ATOM 868 CG2 ILE A 55 4.358 17.239 -4.091 1.00 0.00 C ATOM 869 CD1 ILE A 55 4.013 16.019 -7.768 1.00 0.00 C ATOM 0 H ILE A 55 6.346 14.978 -6.512 1.00 0.00 H new ATOM 0 HA ILE A 55 5.044 14.788 -3.895 1.00 0.00 H new ATOM 0 HB ILE A 55 3.070 15.925 -5.184 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.881 17.820 -6.631 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.473 17.087 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.751 18.127 -4.270 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.084 16.800 -3.132 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.412 17.517 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.255 16.552 -8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.559 15.076 -7.741 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.942 15.820 -7.736 1.00 0.00 H new ATOM 881 N VAL A 56 3.331 13.214 -5.009 1.00 0.00 N ATOM 882 CA VAL A 56 2.497 12.212 -5.642 1.00 0.00 C ATOM 883 C VAL A 56 1.325 12.900 -6.324 1.00 0.00 C ATOM 884 O VAL A 56 0.378 13.318 -5.658 1.00 0.00 O ATOM 885 CB VAL A 56 1.960 11.175 -4.632 1.00 0.00 C ATOM 886 CG1 VAL A 56 1.136 10.110 -5.343 1.00 0.00 C ATOM 887 CG2 VAL A 56 3.100 10.539 -3.846 1.00 0.00 C ATOM 0 H VAL A 56 3.085 13.424 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 56 3.111 11.678 -6.368 1.00 0.00 H new ATOM 0 HB VAL A 56 1.312 11.695 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.767 9.389 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.292 10.580 -5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.759 9.598 -6.077 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.695 9.812 -3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.781 10.037 -4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.641 11.312 -3.300 1.00 0.00 H new ATOM 897 N GLU A 57 1.390 13.048 -7.642 1.00 0.00 N ATOM 898 CA GLU A 57 0.314 13.715 -8.351 1.00 0.00 C ATOM 899 C GLU A 57 -0.817 12.741 -8.556 1.00 0.00 C ATOM 900 O GLU A 57 -1.982 13.067 -8.315 1.00 0.00 O ATOM 901 CB GLU A 57 0.749 14.293 -9.699 1.00 0.00 C ATOM 902 CG GLU A 57 -0.425 14.861 -10.489 1.00 0.00 C ATOM 903 CD GLU A 57 -0.027 15.569 -11.764 1.00 0.00 C ATOM 904 OE1 GLU A 57 0.474 14.907 -12.689 1.00 0.00 O ATOM 905 OE2 GLU A 57 -0.250 16.792 -11.853 1.00 0.00 O ATOM 0 H GLU A 57 2.159 12.722 -8.227 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.005 14.559 -7.739 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.487 15.078 -9.534 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.237 13.514 -10.286 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.110 14.049 -10.735 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.972 15.558 -9.855 1.00 0.00 H new ATOM 912 N ASP A 58 -0.483 11.539 -8.995 1.00 0.00 N ATOM 913 CA ASP A 58 -1.511 10.523 -9.157 1.00 0.00 C ATOM 914 C ASP A 58 -0.939 9.120 -9.031 1.00 0.00 C ATOM 915 O ASP A 58 0.278 8.937 -8.991 1.00 0.00 O ATOM 916 CB ASP A 58 -2.216 10.691 -10.503 1.00 0.00 C ATOM 917 CG ASP A 58 -3.603 10.084 -10.507 1.00 0.00 C ATOM 918 OD1 ASP A 58 -4.087 9.685 -9.424 1.00 0.00 O ATOM 919 OD2 ASP A 58 -4.217 10.018 -11.586 1.00 0.00 O ATOM 0 H ASP A 58 0.463 11.247 -9.240 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.237 10.657 -8.355 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.286 11.752 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.616 10.225 -11.285 1.00 0.00 H new ATOM 924 N ALA A 59 -1.830 8.141 -8.953 1.00 0.00 N ATOM 925 CA ALA A 59 -1.449 6.743 -8.841 1.00 0.00 C ATOM 926 C ALA A 59 -2.595 5.851 -9.299 1.00 0.00 C ATOM 927 O ALA A 59 -3.735 6.023 -8.866 1.00 0.00 O ATOM 928 CB ALA A 59 -1.062 6.415 -7.409 1.00 0.00 C ATOM 0 H ALA A 59 -2.838 8.296 -8.966 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.586 6.561 -9.482 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.779 5.365 -7.340 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.220 7.038 -7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.909 6.606 -6.750 1.00 0.00 H new ATOM 934 N LYS A 60 -2.295 4.911 -10.181 1.00 0.00 N ATOM 935 CA LYS A 60 -3.308 4.018 -10.712 1.00 0.00 C ATOM 936 C LYS A 60 -3.046 2.606 -10.218 1.00 0.00 C ATOM 937 O LYS A 60 -1.928 2.103 -10.335 1.00 0.00 O ATOM 938 CB LYS A 60 -3.304 4.045 -12.243 1.00 0.00 C ATOM 939 CG LYS A 60 -3.488 5.430 -12.852 1.00 0.00 C ATOM 940 CD LYS A 60 -4.702 6.147 -12.286 1.00 0.00 C ATOM 941 CE LYS A 60 -5.002 7.423 -13.059 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.997 8.274 -12.358 1.00 0.00 N ATOM 0 H LYS A 60 -1.356 4.748 -10.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.287 4.351 -10.366 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.362 3.628 -12.599 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.098 3.394 -12.607 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.596 6.028 -12.667 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.593 5.339 -13.933 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.567 5.485 -12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.529 6.387 -11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.080 7.986 -13.202 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.377 7.167 -14.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.664 8.671 -13.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.518 7.700 -11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.507 9.048 -11.867 1.00 0.00 H new ATOM 956 N PHE A 61 -4.070 1.971 -9.674 1.00 0.00 N ATOM 957 CA PHE A 61 -3.906 0.663 -9.062 1.00 0.00 C ATOM 958 C PHE A 61 -4.911 -0.347 -9.606 1.00 0.00 C ATOM 959 O PHE A 61 -6.110 -0.081 -9.664 1.00 0.00 O ATOM 960 CB PHE A 61 -4.027 0.770 -7.533 1.00 0.00 C ATOM 961 CG PHE A 61 -5.239 1.532 -7.059 1.00 0.00 C ATOM 962 CD1 PHE A 61 -6.443 0.883 -6.836 1.00 0.00 C ATOM 963 CD2 PHE A 61 -5.170 2.899 -6.836 1.00 0.00 C ATOM 964 CE1 PHE A 61 -7.553 1.581 -6.402 1.00 0.00 C ATOM 965 CE2 PHE A 61 -6.276 3.602 -6.400 1.00 0.00 C ATOM 966 CZ PHE A 61 -7.470 2.942 -6.183 1.00 0.00 C ATOM 0 H PHE A 61 -5.021 2.338 -9.643 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.909 0.303 -9.316 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.056 -0.235 -7.111 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.132 1.254 -7.142 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.514 -0.182 -7.004 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.240 3.421 -7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.485 1.063 -6.234 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.207 4.666 -6.229 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.337 3.489 -5.843 1.00 0.00 H new ATOM 976 N GLU A 62 -4.399 -1.492 -10.034 1.00 0.00 N ATOM 977 CA GLU A 62 -5.230 -2.630 -10.399 1.00 0.00 C ATOM 978 C GLU A 62 -4.598 -3.910 -9.865 1.00 0.00 C ATOM 979 O GLU A 62 -3.559 -4.357 -10.355 1.00 0.00 O ATOM 980 CB GLU A 62 -5.423 -2.740 -11.917 1.00 0.00 C ATOM 981 CG GLU A 62 -6.260 -3.954 -12.317 1.00 0.00 C ATOM 982 CD GLU A 62 -6.421 -4.125 -13.817 1.00 0.00 C ATOM 983 OE1 GLU A 62 -5.469 -4.594 -14.475 1.00 0.00 O ATOM 984 OE2 GLU A 62 -7.512 -3.819 -14.340 1.00 0.00 O ATOM 0 H GLU A 62 -3.398 -1.658 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 62 -6.214 -2.482 -9.954 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.905 -1.834 -12.285 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.448 -2.801 -12.400 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.798 -4.852 -11.907 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.247 -3.867 -11.863 1.00 0.00 H new ATOM 991 N GLY A 63 -5.215 -4.478 -8.844 1.00 0.00 N ATOM 992 CA GLY A 63 -4.716 -5.707 -8.270 1.00 0.00 C ATOM 993 C GLY A 63 -5.702 -6.837 -8.442 1.00 0.00 C ATOM 994 O GLY A 63 -6.907 -6.641 -8.262 1.00 0.00 O ATOM 0 H GLY A 63 -6.056 -4.108 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.770 -5.973 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.512 -5.558 -7.210 1.00 0.00 H new ATOM 998 N GLU A 64 -5.215 -8.024 -8.782 1.00 0.00 N ATOM 999 CA GLU A 64 -6.098 -9.144 -8.995 1.00 0.00 C ATOM 1000 C GLU A 64 -5.557 -10.348 -8.248 1.00 0.00 C ATOM 1001 O GLU A 64 -4.566 -10.962 -8.646 1.00 0.00 O ATOM 1002 CB GLU A 64 -6.269 -9.422 -10.487 1.00 0.00 C ATOM 1003 CG GLU A 64 -7.571 -10.130 -10.816 1.00 0.00 C ATOM 1004 CD GLU A 64 -7.915 -10.047 -12.285 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -8.597 -9.079 -12.687 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -7.510 -10.948 -13.043 1.00 0.00 O ATOM 0 H GLU A 64 -4.224 -8.226 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.090 -8.914 -8.605 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.227 -8.480 -11.033 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.434 -10.030 -10.835 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.497 -11.177 -10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.379 -9.690 -10.231 1.00 0.00 H new ATOM 1013 N GLY A 65 -6.198 -10.642 -7.137 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.715 -11.657 -6.241 1.00 0.00 C ATOM 1015 C GLY A 65 -6.680 -11.888 -5.108 1.00 0.00 C ATOM 1016 O GLY A 65 -7.879 -12.054 -5.327 1.00 0.00 O ATOM 0 H GLY A 65 -7.060 -10.186 -6.836 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.564 -12.587 -6.789 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.745 -11.361 -5.841 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.164 -11.880 -3.894 1.00 0.00 N ATOM 1021 CA CYS A 66 -6.970 -12.163 -2.725 1.00 0.00 C ATOM 1022 C CYS A 66 -7.647 -10.894 -2.225 1.00 0.00 C ATOM 1023 O CYS A 66 -7.188 -9.784 -2.517 1.00 0.00 O ATOM 1024 CB CYS A 66 -6.097 -12.787 -1.636 1.00 0.00 C ATOM 1025 SG CYS A 66 -4.328 -12.436 -1.820 1.00 0.00 S ATOM 0 H CYS A 66 -5.184 -11.679 -3.692 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.752 -12.874 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.430 -12.423 -0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.245 -13.867 -1.640 1.00 0.00 H new ATOM 1031 N SER A 67 -8.726 -11.068 -1.471 1.00 0.00 N ATOM 1032 CA SER A 67 -9.538 -9.957 -0.987 1.00 0.00 C ATOM 1033 C SER A 67 -8.691 -8.898 -0.278 1.00 0.00 C ATOM 1034 O SER A 67 -8.924 -7.699 -0.433 1.00 0.00 O ATOM 1035 CB SER A 67 -10.604 -10.492 -0.032 1.00 0.00 C ATOM 1036 OG SER A 67 -11.240 -11.636 -0.577 1.00 0.00 O ATOM 0 H SER A 67 -9.063 -11.985 -1.177 1.00 0.00 H new ATOM 0 HA SER A 67 -10.007 -9.480 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.147 -10.745 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.345 -9.717 0.164 1.00 0.00 H new ATOM 0 HG SER A 67 -11.918 -11.964 0.051 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.693 -9.345 0.478 1.00 0.00 N ATOM 1043 CA ILE A 68 -6.870 -8.431 1.258 1.00 0.00 C ATOM 1044 C ILE A 68 -5.930 -7.605 0.374 1.00 0.00 C ATOM 1045 O ILE A 68 -5.830 -6.395 0.542 1.00 0.00 O ATOM 1046 CB ILE A 68 -6.076 -9.169 2.370 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -5.430 -10.462 1.852 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -6.985 -9.474 3.551 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -4.064 -10.271 1.229 1.00 0.00 C ATOM 0 H ILE A 68 -7.437 -10.328 0.566 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.557 -7.739 1.745 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.273 -8.507 2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.344 -11.167 2.679 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.093 -10.915 1.114 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.416 -9.991 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.382 -8.543 3.955 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.809 -10.107 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.681 -11.234 0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.143 -9.593 0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.383 -9.849 1.968 1.00 0.00 H new ATOM 1061 N SER A 69 -5.286 -8.242 -0.596 1.00 0.00 N ATOM 1062 CA SER A 69 -4.296 -7.561 -1.420 1.00 0.00 C ATOM 1063 C SER A 69 -4.968 -6.566 -2.356 1.00 0.00 C ATOM 1064 O SER A 69 -4.455 -5.473 -2.594 1.00 0.00 O ATOM 1065 CB SER A 69 -3.473 -8.586 -2.205 1.00 0.00 C ATOM 1066 OG SER A 69 -4.306 -9.584 -2.785 1.00 0.00 O ATOM 0 H SER A 69 -5.430 -9.224 -0.830 1.00 0.00 H new ATOM 0 HA SER A 69 -3.622 -7.003 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.909 -8.080 -2.989 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.746 -9.056 -1.543 1.00 0.00 H new ATOM 0 HG SER A 69 -4.038 -10.467 -2.453 1.00 0.00 H new ATOM 1072 N MET A 70 -6.123 -6.958 -2.874 1.00 0.00 N ATOM 1073 CA MET A 70 -6.932 -6.082 -3.712 1.00 0.00 C ATOM 1074 C MET A 70 -7.344 -4.817 -2.951 1.00 0.00 C ATOM 1075 O MET A 70 -7.367 -3.719 -3.509 1.00 0.00 O ATOM 1076 CB MET A 70 -8.176 -6.836 -4.187 1.00 0.00 C ATOM 1077 CG MET A 70 -9.116 -6.006 -5.040 1.00 0.00 C ATOM 1078 SD MET A 70 -10.549 -6.945 -5.605 1.00 0.00 S ATOM 1079 CE MET A 70 -11.324 -7.360 -4.042 1.00 0.00 C ATOM 0 H MET A 70 -6.524 -7.884 -2.728 1.00 0.00 H new ATOM 0 HA MET A 70 -6.336 -5.778 -4.573 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.862 -7.710 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.720 -7.202 -3.316 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.454 -5.143 -4.467 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.574 -5.622 -5.904 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.392 -7.513 -4.195 1.00 0.00 H new ATOM 0 HE2 MET A 70 -10.880 -8.274 -3.647 1.00 0.00 H new ATOM 0 HE3 MET A 70 -11.171 -6.546 -3.333 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.651 -4.985 -1.671 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.158 -3.896 -0.842 1.00 0.00 C ATOM 1091 C ALA A 71 -7.029 -3.058 -0.241 1.00 0.00 C ATOM 1092 O ALA A 71 -7.079 -1.826 -0.277 1.00 0.00 O ATOM 1093 CB ALA A 71 -9.045 -4.454 0.262 1.00 0.00 C ATOM 0 H ALA A 71 -7.557 -5.874 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.744 -3.238 -1.483 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.420 -3.635 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.885 -4.989 -0.181 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.466 -5.138 0.883 1.00 0.00 H new ATOM 1099 N SER A 72 -6.011 -3.726 0.297 1.00 0.00 N ATOM 1100 CA SER A 72 -4.893 -3.046 0.945 1.00 0.00 C ATOM 1101 C SER A 72 -4.261 -2.039 -0.008 1.00 0.00 C ATOM 1102 O SER A 72 -4.004 -0.892 0.364 1.00 0.00 O ATOM 1103 CB SER A 72 -3.852 -4.076 1.401 1.00 0.00 C ATOM 1104 OG SER A 72 -2.730 -3.458 2.010 1.00 0.00 O ATOM 0 H SER A 72 -5.938 -4.743 0.296 1.00 0.00 H new ATOM 0 HA SER A 72 -5.264 -2.508 1.817 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.311 -4.770 2.105 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.523 -4.663 0.544 1.00 0.00 H new ATOM 0 HG SER A 72 -1.929 -3.630 1.472 1.00 0.00 H new ATOM 1110 N ALA A 73 -4.047 -2.476 -1.242 1.00 0.00 N ATOM 1111 CA ALA A 73 -3.461 -1.645 -2.277 1.00 0.00 C ATOM 1112 C ALA A 73 -4.228 -0.344 -2.433 1.00 0.00 C ATOM 1113 O ALA A 73 -3.657 0.733 -2.290 1.00 0.00 O ATOM 1114 CB ALA A 73 -3.431 -2.395 -3.599 1.00 0.00 C ATOM 0 H ALA A 73 -4.277 -3.420 -1.551 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.440 -1.405 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.989 -1.761 -4.367 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.835 -3.301 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.447 -2.662 -3.889 1.00 0.00 H new ATOM 1120 N SER A 74 -5.526 -0.448 -2.697 1.00 0.00 N ATOM 1121 CA SER A 74 -6.346 0.730 -2.936 1.00 0.00 C ATOM 1122 C SER A 74 -6.309 1.696 -1.753 1.00 0.00 C ATOM 1123 O SER A 74 -6.193 2.908 -1.935 1.00 0.00 O ATOM 1124 CB SER A 74 -7.788 0.319 -3.246 1.00 0.00 C ATOM 1125 OG SER A 74 -8.327 -0.525 -2.245 1.00 0.00 O ATOM 0 H SER A 74 -6.030 -1.333 -2.750 1.00 0.00 H new ATOM 0 HA SER A 74 -5.931 1.252 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.407 1.211 -3.339 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.820 -0.193 -4.208 1.00 0.00 H new ATOM 0 HG SER A 74 -7.612 -0.814 -1.640 1.00 0.00 H new ATOM 1131 N MET A 75 -6.350 1.158 -0.540 1.00 0.00 N ATOM 1132 CA MET A 75 -6.446 1.992 0.646 1.00 0.00 C ATOM 1133 C MET A 75 -5.119 2.682 0.909 1.00 0.00 C ATOM 1134 O MET A 75 -5.074 3.874 1.219 1.00 0.00 O ATOM 1135 CB MET A 75 -6.864 1.162 1.862 1.00 0.00 C ATOM 1136 CG MET A 75 -7.051 1.994 3.123 1.00 0.00 C ATOM 1137 SD MET A 75 -7.629 1.023 4.528 1.00 0.00 S ATOM 1138 CE MET A 75 -7.761 2.298 5.780 1.00 0.00 C ATOM 0 H MET A 75 -6.318 0.155 -0.355 1.00 0.00 H new ATOM 0 HA MET A 75 -7.210 2.750 0.472 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.795 0.643 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.110 0.397 2.048 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.105 2.470 3.382 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.765 2.793 2.922 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.241 1.887 6.668 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.765 2.658 6.039 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.357 3.125 5.395 1.00 0.00 H new ATOM 1148 N MET A 76 -4.033 1.939 0.744 1.00 0.00 N ATOM 1149 CA MET A 76 -2.710 2.480 1.006 1.00 0.00 C ATOM 1150 C MET A 76 -2.296 3.457 -0.096 1.00 0.00 C ATOM 1151 O MET A 76 -1.603 4.438 0.161 1.00 0.00 O ATOM 1152 CB MET A 76 -1.692 1.346 1.139 1.00 0.00 C ATOM 1153 CG MET A 76 -1.986 0.402 2.297 1.00 0.00 C ATOM 1154 SD MET A 76 -0.830 -0.983 2.389 1.00 0.00 S ATOM 1155 CE MET A 76 0.672 -0.146 2.889 1.00 0.00 C ATOM 0 H MET A 76 -4.043 0.968 0.432 1.00 0.00 H new ATOM 0 HA MET A 76 -2.740 3.029 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.672 0.775 0.211 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.698 1.774 1.272 1.00 0.00 H new ATOM 0 HG2 MET A 76 -1.950 0.961 3.232 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.000 0.016 2.195 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.427 -0.256 2.110 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.464 0.912 3.045 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.041 -0.584 3.816 1.00 0.00 H new ATOM 1165 N THR A 77 -2.758 3.202 -1.315 1.00 0.00 N ATOM 1166 CA THR A 77 -2.435 4.056 -2.454 1.00 0.00 C ATOM 1167 C THR A 77 -3.195 5.387 -2.388 1.00 0.00 C ATOM 1168 O THR A 77 -2.786 6.379 -2.985 1.00 0.00 O ATOM 1169 CB THR A 77 -2.749 3.340 -3.788 1.00 0.00 C ATOM 1170 OG1 THR A 77 -2.074 2.080 -3.832 1.00 0.00 O ATOM 1171 CG2 THR A 77 -2.323 4.176 -4.984 1.00 0.00 C ATOM 0 H THR A 77 -3.359 2.409 -1.541 1.00 0.00 H new ATOM 0 HA THR A 77 -1.366 4.266 -2.408 1.00 0.00 H new ATOM 0 HB THR A 77 -3.828 3.191 -3.839 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.404 1.507 -3.109 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.559 3.641 -5.904 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.854 5.128 -4.971 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.250 4.359 -4.936 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.279 5.419 -1.628 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.094 6.623 -1.525 1.00 0.00 C ATOM 1181 C GLN A 78 -4.463 7.580 -0.538 1.00 0.00 C ATOM 1182 O GLN A 78 -4.410 8.790 -0.768 1.00 0.00 O ATOM 1183 CB GLN A 78 -6.523 6.301 -1.086 1.00 0.00 C ATOM 1184 CG GLN A 78 -7.399 5.722 -2.185 1.00 0.00 C ATOM 1185 CD GLN A 78 -8.833 5.507 -1.728 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -9.091 5.246 -0.550 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -9.779 5.628 -2.650 1.00 0.00 N ATOM 0 H GLN A 78 -4.615 4.630 -1.075 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.142 7.082 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.486 5.594 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.988 7.211 -0.708 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.391 6.393 -3.044 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.980 4.772 -2.518 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.527 5.845 -3.614 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.759 5.504 -2.395 1.00 0.00 H new ATOM 1196 N ALA A 79 -3.975 7.022 0.558 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.281 7.800 1.565 1.00 0.00 C ATOM 1198 C ALA A 79 -2.030 8.426 0.970 1.00 0.00 C ATOM 1199 O ALA A 79 -1.730 9.597 1.214 1.00 0.00 O ATOM 1200 CB ALA A 79 -2.931 6.928 2.760 1.00 0.00 C ATOM 0 H ALA A 79 -4.049 6.027 0.771 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.938 8.599 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.410 7.527 3.507 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.845 6.521 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.287 6.110 2.437 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.325 7.662 0.141 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.057 8.148 -0.407 1.00 0.00 C ATOM 1208 C ILE A 80 -0.299 9.104 -1.568 1.00 0.00 C ATOM 1209 O ILE A 80 0.554 9.925 -1.902 1.00 0.00 O ATOM 1210 CB ILE A 80 0.892 6.995 -0.840 1.00 0.00 C ATOM 1211 CG1 ILE A 80 0.300 6.145 -1.971 1.00 0.00 C ATOM 1212 CG2 ILE A 80 1.231 6.115 0.351 1.00 0.00 C ATOM 1213 CD1 ILE A 80 0.611 6.665 -3.361 1.00 0.00 C ATOM 0 H ILE A 80 -1.598 6.727 -0.162 1.00 0.00 H new ATOM 0 HA ILE A 80 0.443 8.686 0.398 1.00 0.00 H new ATOM 0 HB ILE A 80 1.802 7.456 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.678 5.127 -1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.782 6.095 -1.846 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.896 5.312 0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.725 6.713 1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.315 5.687 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.158 6.009 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 80 0.208 7.672 -3.471 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.691 6.688 -3.508 1.00 0.00 H new ATOM 1225 N LYS A 81 -1.487 9.006 -2.156 1.00 0.00 N ATOM 1226 CA LYS A 81 -1.866 9.826 -3.299 1.00 0.00 C ATOM 1227 C LYS A 81 -1.968 11.304 -2.921 1.00 0.00 C ATOM 1228 O LYS A 81 -1.855 12.182 -3.777 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.199 9.322 -3.873 1.00 0.00 C ATOM 1230 CG LYS A 81 -3.785 10.203 -4.964 1.00 0.00 C ATOM 1231 CD LYS A 81 -5.034 9.590 -5.577 1.00 0.00 C ATOM 1232 CE LYS A 81 -5.798 10.603 -6.418 1.00 0.00 C ATOM 1233 NZ LYS A 81 -4.934 11.252 -7.442 1.00 0.00 N ATOM 0 H LYS A 81 -2.213 8.356 -1.853 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.089 9.739 -4.058 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.052 8.319 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -3.922 9.240 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.027 11.182 -4.550 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.039 10.362 -5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.756 8.737 -6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.681 9.211 -4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.633 10.106 -6.912 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.222 11.367 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.519 11.843 -8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.222 11.845 -6.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.456 10.521 -8.007 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.155 11.583 -1.637 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.340 12.957 -1.212 1.00 0.00 C ATOM 1249 C GLY A 82 -1.131 13.520 -0.494 1.00 0.00 C ATOM 1250 O GLY A 82 -1.272 14.377 0.378 1.00 0.00 O ATOM 0 H GLY A 82 -2.182 10.890 -0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -2.559 13.575 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.207 13.015 -0.554 1.00 0.00 H new ATOM 1254 N LYS A 83 0.060 13.038 -0.834 1.00 0.00 N ATOM 1255 CA LYS A 83 1.268 13.502 -0.172 1.00 0.00 C ATOM 1256 C LYS A 83 2.364 13.780 -1.190 1.00 0.00 C ATOM 1257 O LYS A 83 2.131 13.734 -2.403 1.00 0.00 O ATOM 1258 CB LYS A 83 1.756 12.472 0.858 1.00 0.00 C ATOM 1259 CG LYS A 83 0.738 12.164 1.947 1.00 0.00 C ATOM 1260 CD LYS A 83 1.321 11.264 3.022 1.00 0.00 C ATOM 1261 CE LYS A 83 0.256 10.833 4.017 1.00 0.00 C ATOM 1262 NZ LYS A 83 0.832 10.046 5.137 1.00 0.00 N ATOM 0 H LYS A 83 0.211 12.334 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 83 1.030 14.429 0.350 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.012 11.547 0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.671 12.841 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.395 13.095 2.398 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.135 11.684 1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.768 10.384 2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.120 11.789 3.545 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.248 11.714 4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.499 10.237 3.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.080 9.494 5.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.560 9.401 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.260 10.692 5.831 1.00 0.00 H new ATOM 1276 N ASP A 84 3.554 14.062 -0.692 1.00 0.00 N ATOM 1277 CA ASP A 84 4.709 14.243 -1.509 1.00 0.00 C ATOM 1278 C ASP A 84 5.636 13.090 -1.219 1.00 0.00 C ATOM 1279 O ASP A 84 5.277 12.169 -0.491 1.00 0.00 O ATOM 1280 CB ASP A 84 5.398 15.578 -1.205 1.00 0.00 C ATOM 1281 CG ASP A 84 5.971 15.634 0.193 1.00 0.00 C ATOM 1282 OD1 ASP A 84 5.203 15.891 1.135 1.00 0.00 O ATOM 1283 OD2 ASP A 84 7.193 15.418 0.353 1.00 0.00 O ATOM 0 H ASP A 84 3.733 14.170 0.306 1.00 0.00 H new ATOM 0 HA ASP A 84 4.431 14.266 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.197 15.742 -1.928 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.681 16.389 -1.332 1.00 0.00 H new ATOM 1288 N ILE A 85 6.820 13.154 -1.746 1.00 0.00 N ATOM 1289 CA ILE A 85 7.734 12.028 -1.672 1.00 0.00 C ATOM 1290 C ILE A 85 8.531 12.043 -0.373 1.00 0.00 C ATOM 1291 O ILE A 85 8.787 10.998 0.215 1.00 0.00 O ATOM 1292 CB ILE A 85 8.680 11.978 -2.889 1.00 0.00 C ATOM 1293 CG1 ILE A 85 7.861 12.031 -4.183 1.00 0.00 C ATOM 1294 CG2 ILE A 85 9.547 10.723 -2.860 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.631 11.140 -4.169 1.00 0.00 C ATOM 0 H ILE A 85 7.188 13.970 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 85 7.125 11.124 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 85 9.343 12.842 -2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.550 13.060 -4.363 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.499 11.740 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.204 10.714 -3.730 1.00 0.00 H new ATOM 0 HG22 ILE A 85 10.148 10.717 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.909 9.839 -2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.104 11.232 -5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.934 10.103 -4.021 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.971 11.444 -3.357 1.00 0.00 H new ATOM 1307 N GLU A 86 8.872 13.229 0.104 1.00 0.00 N ATOM 1308 CA GLU A 86 9.681 13.349 1.307 1.00 0.00 C ATOM 1309 C GLU A 86 8.856 13.025 2.543 1.00 0.00 C ATOM 1310 O GLU A 86 9.341 12.375 3.470 1.00 0.00 O ATOM 1311 CB GLU A 86 10.277 14.747 1.417 1.00 0.00 C ATOM 1312 CG GLU A 86 11.169 15.109 0.247 1.00 0.00 C ATOM 1313 CD GLU A 86 11.874 16.424 0.454 1.00 0.00 C ATOM 1314 OE1 GLU A 86 11.290 17.471 0.113 1.00 0.00 O ATOM 1315 OE2 GLU A 86 13.011 16.409 0.973 1.00 0.00 O ATOM 0 H GLU A 86 8.604 14.117 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 86 10.498 12.631 1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.469 15.475 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.852 14.818 2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.908 14.322 0.099 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.570 15.159 -0.662 1.00 0.00 H new ATOM 1322 N THR A 87 7.607 13.475 2.551 1.00 0.00 N ATOM 1323 CA THR A 87 6.688 13.147 3.633 1.00 0.00 C ATOM 1324 C THR A 87 6.260 11.684 3.539 1.00 0.00 C ATOM 1325 O THR A 87 5.880 11.067 4.532 1.00 0.00 O ATOM 1326 CB THR A 87 5.451 14.065 3.610 1.00 0.00 C ATOM 1327 OG1 THR A 87 5.876 15.430 3.548 1.00 0.00 O ATOM 1328 CG2 THR A 87 4.583 13.868 4.845 1.00 0.00 C ATOM 0 H THR A 87 7.208 14.067 1.822 1.00 0.00 H new ATOM 0 HA THR A 87 7.209 13.305 4.577 1.00 0.00 H new ATOM 0 HB THR A 87 4.857 13.809 2.733 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.472 15.863 2.768 1.00 0.00 H new ATOM 0 HG21 THR A 87 3.720 14.532 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.242 12.834 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.164 14.097 5.738 1.00 0.00 H new ATOM 1336 N ALA A 88 6.345 11.122 2.342 1.00 0.00 N ATOM 1337 CA ALA A 88 6.059 9.712 2.153 1.00 0.00 C ATOM 1338 C ALA A 88 7.225 8.874 2.652 1.00 0.00 C ATOM 1339 O ALA A 88 7.031 7.790 3.189 1.00 0.00 O ATOM 1340 CB ALA A 88 5.769 9.405 0.695 1.00 0.00 C ATOM 0 H ALA A 88 6.609 11.620 1.492 1.00 0.00 H new ATOM 0 HA ALA A 88 5.169 9.461 2.731 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.558 8.342 0.582 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.905 9.983 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.635 9.670 0.088 1.00 0.00 H new ATOM 1346 N LEU A 89 8.437 9.397 2.488 1.00 0.00 N ATOM 1347 CA LEU A 89 9.635 8.725 2.970 1.00 0.00 C ATOM 1348 C LEU A 89 9.644 8.669 4.492 1.00 0.00 C ATOM 1349 O LEU A 89 10.124 7.703 5.081 1.00 0.00 O ATOM 1350 CB LEU A 89 10.893 9.432 2.460 1.00 0.00 C ATOM 1351 CG LEU A 89 11.137 9.311 0.955 1.00 0.00 C ATOM 1352 CD1 LEU A 89 12.355 10.121 0.541 1.00 0.00 C ATOM 1353 CD2 LEU A 89 11.310 7.853 0.558 1.00 0.00 C ATOM 0 H LEU A 89 8.613 10.288 2.023 1.00 0.00 H new ATOM 0 HA LEU A 89 9.629 7.705 2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.828 10.489 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 89 11.758 9.028 2.987 1.00 0.00 H new ATOM 0 HG LEU A 89 10.266 9.711 0.435 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.511 10.021 -0.533 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.195 11.170 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.234 9.753 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 89 11.483 7.786 -0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 89 12.162 7.430 1.089 1.00 0.00 H new ATOM 0 HD23 LEU A 89 10.409 7.296 0.816 1.00 0.00 H new ATOM 1365 N SER A 90 9.107 9.699 5.129 1.00 0.00 N ATOM 1366 CA SER A 90 8.982 9.696 6.578 1.00 0.00 C ATOM 1367 C SER A 90 7.795 8.834 6.996 1.00 0.00 C ATOM 1368 O SER A 90 7.849 8.138 8.007 1.00 0.00 O ATOM 1369 CB SER A 90 8.850 11.124 7.110 1.00 0.00 C ATOM 1370 OG SER A 90 7.983 11.899 6.298 1.00 0.00 O ATOM 0 H SER A 90 8.754 10.539 4.671 1.00 0.00 H new ATOM 0 HA SER A 90 9.885 9.266 7.012 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.470 11.100 8.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.833 11.593 7.146 1.00 0.00 H new ATOM 0 HG SER A 90 7.323 11.313 5.873 1.00 0.00 H new ATOM 1376 N MET A 91 6.742 8.861 6.184 1.00 0.00 N ATOM 1377 CA MET A 91 5.570 8.013 6.389 1.00 0.00 C ATOM 1378 C MET A 91 5.947 6.534 6.341 1.00 0.00 C ATOM 1379 O MET A 91 5.431 5.731 7.102 1.00 0.00 O ATOM 1380 CB MET A 91 4.519 8.318 5.318 1.00 0.00 C ATOM 1381 CG MET A 91 3.368 7.324 5.268 1.00 0.00 C ATOM 1382 SD MET A 91 2.234 7.654 3.902 1.00 0.00 S ATOM 1383 CE MET A 91 1.134 6.242 4.029 1.00 0.00 C ATOM 0 H MET A 91 6.676 9.469 5.368 1.00 0.00 H new ATOM 0 HA MET A 91 5.159 8.227 7.376 1.00 0.00 H new ATOM 0 HB2 MET A 91 4.115 9.315 5.496 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.007 8.341 4.343 1.00 0.00 H new ATOM 0 HG2 MET A 91 3.767 6.314 5.170 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.819 7.360 6.209 1.00 0.00 H new ATOM 0 HE1 MET A 91 0.723 6.011 3.046 1.00 0.00 H new ATOM 0 HE2 MET A 91 1.689 5.381 4.402 1.00 0.00 H new ATOM 0 HE3 MET A 91 0.321 6.475 4.716 1.00 0.00 H new ATOM 1393 N SER A 92 6.864 6.193 5.453 1.00 0.00 N ATOM 1394 CA SER A 92 7.306 4.823 5.280 1.00 0.00 C ATOM 1395 C SER A 92 8.399 4.502 6.286 1.00 0.00 C ATOM 1396 O SER A 92 8.571 3.352 6.693 1.00 0.00 O ATOM 1397 CB SER A 92 7.805 4.622 3.854 1.00 0.00 C ATOM 1398 OG SER A 92 8.761 5.611 3.512 1.00 0.00 O ATOM 0 H SER A 92 7.323 6.859 4.832 1.00 0.00 H new ATOM 0 HA SER A 92 6.470 4.145 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.249 3.631 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.965 4.666 3.160 1.00 0.00 H new ATOM 0 HG SER A 92 8.300 6.440 3.266 1.00 0.00 H new ATOM 1404 N LYS A 93 9.133 5.535 6.693 1.00 0.00 N ATOM 1405 CA LYS A 93 10.091 5.403 7.775 1.00 0.00 C ATOM 1406 C LYS A 93 9.359 4.919 9.006 1.00 0.00 C ATOM 1407 O LYS A 93 9.702 3.895 9.594 1.00 0.00 O ATOM 1408 CB LYS A 93 10.769 6.744 8.079 1.00 0.00 C ATOM 1409 CG LYS A 93 11.789 6.665 9.205 1.00 0.00 C ATOM 1410 CD LYS A 93 13.111 6.098 8.717 1.00 0.00 C ATOM 1411 CE LYS A 93 13.967 5.598 9.865 1.00 0.00 C ATOM 1412 NZ LYS A 93 13.474 4.298 10.394 1.00 0.00 N ATOM 0 H LYS A 93 9.079 6.469 6.287 1.00 0.00 H new ATOM 0 HA LYS A 93 10.864 4.693 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.262 7.106 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.006 7.477 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.950 7.659 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.398 6.041 10.009 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.921 5.280 8.022 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.654 6.865 8.166 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.998 5.486 9.529 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.971 6.338 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.140 3.938 11.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.539 4.433 10.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.397 3.613 9.615 1.00 0.00 H new ATOM 1426 N ILE A 94 8.306 5.643 9.352 1.00 0.00 N ATOM 1427 CA ILE A 94 7.498 5.308 10.506 1.00 0.00 C ATOM 1428 C ILE A 94 6.604 4.114 10.205 1.00 0.00 C ATOM 1429 O ILE A 94 6.188 3.405 11.114 1.00 0.00 O ATOM 1430 CB ILE A 94 6.646 6.504 10.977 1.00 0.00 C ATOM 1431 CG1 ILE A 94 5.751 7.002 9.842 1.00 0.00 C ATOM 1432 CG2 ILE A 94 7.547 7.618 11.486 1.00 0.00 C ATOM 1433 CD1 ILE A 94 4.952 8.236 10.183 1.00 0.00 C ATOM 0 H ILE A 94 7.993 6.470 8.844 1.00 0.00 H new ATOM 0 HA ILE A 94 8.181 5.047 11.315 1.00 0.00 H new ATOM 0 HB ILE A 94 6.004 6.179 11.796 1.00 0.00 H new ATOM 0 HG12 ILE A 94 6.371 7.213 8.971 1.00 0.00 H new ATOM 0 HG13 ILE A 94 5.064 6.204 9.559 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.936 8.458 11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 94 8.142 7.251 12.322 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.210 7.945 10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.344 8.524 9.326 1.00 0.00 H new ATOM 0 HD12 ILE A 94 4.304 8.026 11.034 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.631 9.050 10.436 1.00 0.00 H new ATOM 1445 N PHE A 95 6.325 3.867 8.924 1.00 0.00 N ATOM 1446 CA PHE A 95 5.555 2.684 8.552 1.00 0.00 C ATOM 1447 C PHE A 95 6.391 1.427 8.788 1.00 0.00 C ATOM 1448 O PHE A 95 5.860 0.346 9.024 1.00 0.00 O ATOM 1449 CB PHE A 95 5.095 2.754 7.095 1.00 0.00 C ATOM 1450 CG PHE A 95 4.010 1.767 6.770 1.00 0.00 C ATOM 1451 CD1 PHE A 95 2.714 1.990 7.200 1.00 0.00 C ATOM 1452 CD2 PHE A 95 4.285 0.618 6.050 1.00 0.00 C ATOM 1453 CE1 PHE A 95 1.711 1.087 6.915 1.00 0.00 C ATOM 1454 CE2 PHE A 95 3.284 -0.290 5.761 1.00 0.00 C ATOM 1455 CZ PHE A 95 1.996 -0.056 6.197 1.00 0.00 C ATOM 0 H PHE A 95 6.614 4.457 8.144 1.00 0.00 H new ATOM 0 HA PHE A 95 4.663 2.645 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.737 3.761 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.949 2.574 6.442 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.485 2.881 7.765 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.293 0.429 5.710 1.00 0.00 H new ATOM 0 HE1 PHE A 95 0.703 1.275 7.254 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.510 -1.181 5.195 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.213 -0.766 5.977 1.00 0.00 H new ATOM 1465 N SER A 96 7.706 1.579 8.725 1.00 0.00 N ATOM 1466 CA SER A 96 8.614 0.499 9.079 1.00 0.00 C ATOM 1467 C SER A 96 8.860 0.497 10.590 1.00 0.00 C ATOM 1468 O SER A 96 9.147 -0.539 11.191 1.00 0.00 O ATOM 1469 CB SER A 96 9.938 0.657 8.328 1.00 0.00 C ATOM 1470 OG SER A 96 9.733 0.652 6.921 1.00 0.00 O ATOM 0 H SER A 96 8.168 2.440 8.432 1.00 0.00 H new ATOM 0 HA SER A 96 8.162 -0.451 8.794 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.419 1.589 8.625 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.614 -0.152 8.603 1.00 0.00 H new ATOM 0 HG SER A 96 9.320 1.498 6.648 1.00 0.00 H new ATOM 1476 N ASP A 97 8.722 1.669 11.195 1.00 0.00 N ATOM 1477 CA ASP A 97 8.981 1.847 12.622 1.00 0.00 C ATOM 1478 C ASP A 97 7.786 1.472 13.484 1.00 0.00 C ATOM 1479 O ASP A 97 7.939 1.259 14.675 1.00 0.00 O ATOM 1480 CB ASP A 97 9.386 3.290 12.933 1.00 0.00 C ATOM 1481 CG ASP A 97 10.885 3.492 12.894 1.00 0.00 C ATOM 1482 OD1 ASP A 97 11.584 2.927 13.763 1.00 0.00 O ATOM 1483 OD2 ASP A 97 11.375 4.214 12.002 1.00 0.00 O ATOM 0 H ASP A 97 8.429 2.520 10.716 1.00 0.00 H new ATOM 0 HA ASP A 97 9.802 1.172 12.865 1.00 0.00 H new ATOM 0 HB2 ASP A 97 8.914 3.960 12.214 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.011 3.565 13.919 1.00 0.00 H new ATOM 1488 N MET A 98 6.598 1.403 12.893 1.00 0.00 N ATOM 1489 CA MET A 98 5.359 1.156 13.648 1.00 0.00 C ATOM 1490 C MET A 98 5.442 -0.082 14.549 1.00 0.00 C ATOM 1491 O MET A 98 4.655 -0.223 15.483 1.00 0.00 O ATOM 1492 CB MET A 98 4.145 1.065 12.711 1.00 0.00 C ATOM 1493 CG MET A 98 4.301 0.107 11.536 1.00 0.00 C ATOM 1494 SD MET A 98 4.275 -1.636 12.000 1.00 0.00 S ATOM 1495 CE MET A 98 4.420 -2.401 10.385 1.00 0.00 C ATOM 0 H MET A 98 6.459 1.514 11.889 1.00 0.00 H new ATOM 0 HA MET A 98 5.229 2.015 14.306 1.00 0.00 H new ATOM 0 HB2 MET A 98 3.277 0.759 13.296 1.00 0.00 H new ATOM 0 HB3 MET A 98 3.932 2.060 12.321 1.00 0.00 H new ATOM 0 HG2 MET A 98 3.501 0.294 10.820 1.00 0.00 H new ATOM 0 HG3 MET A 98 5.240 0.323 11.027 1.00 0.00 H new ATOM 0 HE1 MET A 98 4.419 -3.485 10.495 1.00 0.00 H new ATOM 0 HE2 MET A 98 3.578 -2.099 9.762 1.00 0.00 H new ATOM 0 HE3 MET A 98 5.351 -2.085 9.915 1.00 0.00 H new ATOM 1505 N MET A 99 6.391 -0.968 14.276 1.00 0.00 N ATOM 1506 CA MET A 99 6.573 -2.159 15.094 1.00 0.00 C ATOM 1507 C MET A 99 7.216 -1.796 16.436 1.00 0.00 C ATOM 1508 O MET A 99 6.637 -2.045 17.494 1.00 0.00 O ATOM 1509 CB MET A 99 7.427 -3.195 14.346 1.00 0.00 C ATOM 1510 CG MET A 99 7.482 -4.566 15.013 1.00 0.00 C ATOM 1511 SD MET A 99 8.565 -4.616 16.457 1.00 0.00 S ATOM 1512 CE MET A 99 8.368 -6.321 16.966 1.00 0.00 C ATOM 0 H MET A 99 7.044 -0.885 13.497 1.00 0.00 H new ATOM 0 HA MET A 99 5.595 -2.597 15.292 1.00 0.00 H new ATOM 0 HB2 MET A 99 7.034 -3.311 13.336 1.00 0.00 H new ATOM 0 HB3 MET A 99 8.442 -2.810 14.250 1.00 0.00 H new ATOM 0 HG2 MET A 99 6.475 -4.857 15.313 1.00 0.00 H new ATOM 0 HG3 MET A 99 7.824 -5.303 14.286 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.977 -6.509 17.850 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.321 -6.512 17.199 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.686 -6.981 16.159 1.00 0.00 H new ATOM 1522 N GLN A 100 8.405 -1.196 16.389 1.00 0.00 N ATOM 1523 CA GLN A 100 9.157 -0.894 17.605 1.00 0.00 C ATOM 1524 C GLN A 100 9.076 0.592 17.950 1.00 0.00 C ATOM 1525 O GLN A 100 8.872 0.960 19.109 1.00 0.00 O ATOM 1526 CB GLN A 100 10.619 -1.319 17.438 1.00 0.00 C ATOM 1527 CG GLN A 100 11.463 -1.110 18.685 1.00 0.00 C ATOM 1528 CD GLN A 100 12.887 -1.600 18.514 1.00 0.00 C ATOM 1529 OE1 GLN A 100 13.394 -1.527 17.294 1.00 0.00 O flip ATOM 1530 NE2 GLN A 100 13.525 -2.034 19.473 1.00 0.00 N flip ATOM 0 H GLN A 100 8.866 -0.911 15.525 1.00 0.00 H new ATOM 0 HA GLN A 100 8.713 -1.455 18.427 1.00 0.00 H new ATOM 0 HB2 GLN A 100 10.652 -2.372 17.160 1.00 0.00 H new ATOM 0 HB3 GLN A 100 11.059 -0.758 16.614 1.00 0.00 H new ATOM 0 HG2 GLN A 100 11.475 -0.050 18.937 1.00 0.00 H new ATOM 0 HG3 GLN A 100 11.001 -1.632 19.523 1.00 0.00 H new ATOM 0 HE21 GLN A 100 13.094 -2.072 20.397 1.00 0.00 H new ATOM 0 HE22 GLN A 100 14.484 -2.355 19.344 1.00 0.00 H new ATOM 1539 N GLY A 101 9.222 1.440 16.940 1.00 0.00 N ATOM 1540 CA GLY A 101 9.067 2.870 17.137 1.00 0.00 C ATOM 1541 C GLY A 101 7.629 3.224 17.443 1.00 0.00 C ATOM 1542 O GLY A 101 7.359 4.125 18.241 1.00 0.00 O ATOM 0 H GLY A 101 9.446 1.163 15.984 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.708 3.199 17.955 1.00 0.00 H new ATOM 0 HA3 GLY A 101 9.393 3.401 16.243 1.00 0.00 H new ATOM 1546 N LYS A 102 6.710 2.514 16.782 1.00 0.00 N ATOM 1547 CA LYS A 102 5.283 2.592 17.066 1.00 0.00 C ATOM 1548 C LYS A 102 4.725 3.938 16.618 1.00 0.00 C ATOM 1549 O LYS A 102 3.740 4.436 17.167 1.00 0.00 O ATOM 1550 CB LYS A 102 5.034 2.359 18.559 1.00 0.00 C ATOM 1551 CG LYS A 102 3.678 1.759 18.885 1.00 0.00 C ATOM 1552 CD LYS A 102 3.596 1.409 20.359 1.00 0.00 C ATOM 1553 CE LYS A 102 2.355 0.597 20.692 1.00 0.00 C ATOM 1554 NZ LYS A 102 2.326 0.201 22.125 1.00 0.00 N ATOM 0 H LYS A 102 6.942 1.865 16.030 1.00 0.00 H new ATOM 0 HA LYS A 102 4.765 1.813 16.507 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.811 1.700 18.946 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.132 3.309 19.083 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.889 2.466 18.628 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.514 0.865 18.283 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.484 0.845 20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.596 2.326 20.948 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.465 1.180 20.457 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.325 -0.295 20.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.466 -0.351 22.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.163 -0.376 22.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.329 1.053 22.721 1.00 0.00 H new ATOM 1568 N GLU A 103 5.353 4.511 15.603 1.00 0.00 N ATOM 1569 CA GLU A 103 4.919 5.787 15.063 1.00 0.00 C ATOM 1570 C GLU A 103 4.152 5.587 13.766 1.00 0.00 C ATOM 1571 O GLU A 103 4.361 4.611 13.052 1.00 0.00 O ATOM 1572 CB GLU A 103 6.108 6.719 14.819 1.00 0.00 C ATOM 1573 CG GLU A 103 6.914 7.029 16.068 1.00 0.00 C ATOM 1574 CD GLU A 103 7.751 8.281 15.914 1.00 0.00 C ATOM 1575 OE1 GLU A 103 8.848 8.210 15.321 1.00 0.00 O ATOM 1576 OE2 GLU A 103 7.308 9.349 16.387 1.00 0.00 O ATOM 0 H GLU A 103 6.167 4.110 15.137 1.00 0.00 H new ATOM 0 HA GLU A 103 4.262 6.249 15.800 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.766 6.266 14.077 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.743 7.654 14.393 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.237 7.148 16.914 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.565 6.185 16.297 1.00 0.00 H new ATOM 1583 N TYR A 104 3.257 6.519 13.489 1.00 0.00 N ATOM 1584 CA TYR A 104 2.475 6.548 12.290 1.00 0.00 C ATOM 1585 C TYR A 104 2.339 8.011 11.942 1.00 0.00 C ATOM 1586 O TYR A 104 2.627 8.866 12.780 1.00 0.00 O ATOM 1587 CB TYR A 104 1.098 5.909 12.505 1.00 0.00 C ATOM 1588 CG TYR A 104 0.901 5.362 13.901 1.00 0.00 C ATOM 1589 CD1 TYR A 104 0.484 6.189 14.934 1.00 0.00 C ATOM 1590 CD2 TYR A 104 1.146 4.026 14.188 1.00 0.00 C ATOM 1591 CE1 TYR A 104 0.312 5.704 16.213 1.00 0.00 C ATOM 1592 CE2 TYR A 104 0.975 3.533 15.463 1.00 0.00 C ATOM 1593 CZ TYR A 104 0.558 4.372 16.474 1.00 0.00 C ATOM 1594 OH TYR A 104 0.396 3.875 17.750 1.00 0.00 O ATOM 0 H TYR A 104 3.057 7.296 14.119 1.00 0.00 H new ATOM 0 HA TYR A 104 2.948 5.979 11.490 1.00 0.00 H new ATOM 0 HB2 TYR A 104 0.326 6.651 12.301 1.00 0.00 H new ATOM 0 HB3 TYR A 104 0.964 5.102 11.784 1.00 0.00 H new ATOM 0 HD1 TYR A 104 0.291 7.232 14.732 1.00 0.00 H new ATOM 0 HD2 TYR A 104 1.475 3.364 13.401 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.013 6.362 17.005 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.167 2.491 15.670 1.00 0.00 H new ATOM 0 HH TYR A 104 0.610 2.919 17.758 1.00 0.00 H new ATOM 1604 N ASP A 105 1.917 8.302 10.745 1.00 0.00 N ATOM 1605 CA ASP A 105 1.931 9.676 10.254 1.00 0.00 C ATOM 1606 C ASP A 105 0.801 10.465 10.885 1.00 0.00 C ATOM 1607 O ASP A 105 -0.266 10.612 10.300 1.00 0.00 O ATOM 1608 CB ASP A 105 1.844 9.710 8.722 1.00 0.00 C ATOM 1609 CG ASP A 105 2.093 11.090 8.142 1.00 0.00 C ATOM 1610 OD1 ASP A 105 3.078 11.743 8.545 1.00 0.00 O ATOM 1611 OD2 ASP A 105 1.314 11.521 7.263 1.00 0.00 O ATOM 0 H ASP A 105 1.557 7.616 10.081 1.00 0.00 H new ATOM 0 HA ASP A 105 2.875 10.140 10.539 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.571 9.012 8.307 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.858 9.365 8.412 1.00 0.00 H new ATOM 1616 N ASP A 106 1.040 10.883 12.130 1.00 0.00 N ATOM 1617 CA ASP A 106 0.100 11.696 12.900 1.00 0.00 C ATOM 1618 C ASP A 106 -1.051 10.809 13.342 1.00 0.00 C ATOM 1619 O ASP A 106 -2.171 11.265 13.577 1.00 0.00 O ATOM 1620 CB ASP A 106 -0.394 12.908 12.096 1.00 0.00 C ATOM 1621 CG ASP A 106 -0.988 13.989 12.980 1.00 0.00 C ATOM 1622 OD1 ASP A 106 -0.400 14.279 14.047 1.00 0.00 O ATOM 1623 OD2 ASP A 106 -2.025 14.577 12.600 1.00 0.00 O ATOM 0 H ASP A 106 1.899 10.664 12.635 1.00 0.00 H new ATOM 0 HA ASP A 106 0.604 12.102 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.436 13.325 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -1.143 12.581 11.375 1.00 0.00 H new ATOM 1628 N SER A 107 -0.722 9.522 13.475 1.00 0.00 N ATOM 1629 CA SER A 107 -1.678 8.482 13.821 1.00 0.00 C ATOM 1630 C SER A 107 -2.713 8.324 12.707 1.00 0.00 C ATOM 1631 O SER A 107 -3.917 8.284 12.957 1.00 0.00 O ATOM 1632 CB SER A 107 -2.346 8.784 15.173 1.00 0.00 C ATOM 1633 OG SER A 107 -3.013 7.641 15.690 1.00 0.00 O ATOM 0 H SER A 107 0.228 9.175 13.343 1.00 0.00 H new ATOM 0 HA SER A 107 -1.146 7.536 13.923 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.593 9.120 15.885 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.059 9.600 15.054 1.00 0.00 H new ATOM 0 HG SER A 107 -3.426 7.864 16.550 1.00 0.00 H new ATOM 1639 N ILE A 108 -2.237 8.252 11.465 1.00 0.00 N ATOM 1640 CA ILE A 108 -3.128 7.988 10.335 1.00 0.00 C ATOM 1641 C ILE A 108 -2.988 6.538 9.879 1.00 0.00 C ATOM 1642 O ILE A 108 -3.988 5.848 9.666 1.00 0.00 O ATOM 1643 CB ILE A 108 -2.889 8.959 9.142 1.00 0.00 C ATOM 1644 CG1 ILE A 108 -3.680 10.261 9.328 1.00 0.00 C ATOM 1645 CG2 ILE A 108 -3.272 8.317 7.814 1.00 0.00 C ATOM 1646 CD1 ILE A 108 -3.253 11.086 10.519 1.00 0.00 C ATOM 0 H ILE A 108 -1.255 8.371 11.217 1.00 0.00 H new ATOM 0 HA ILE A 108 -4.146 8.162 10.684 1.00 0.00 H new ATOM 0 HB ILE A 108 -1.823 9.187 9.123 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.578 10.866 8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -4.738 10.018 9.430 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -3.092 9.023 7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -2.670 7.422 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -4.328 8.046 7.832 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -3.863 11.987 10.575 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -3.382 10.503 11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -2.205 11.364 10.412 1.00 0.00 H new ATOM 1658 N ASP A 109 -1.746 6.083 9.747 1.00 0.00 N ATOM 1659 CA ASP A 109 -1.459 4.714 9.330 1.00 0.00 C ATOM 1660 C ASP A 109 -1.882 3.742 10.420 1.00 0.00 C ATOM 1661 O ASP A 109 -1.154 3.521 11.390 1.00 0.00 O ATOM 1662 CB ASP A 109 0.036 4.550 9.038 1.00 0.00 C ATOM 1663 CG ASP A 109 0.600 5.721 8.263 1.00 0.00 C ATOM 1664 OD1 ASP A 109 0.835 6.779 8.888 1.00 0.00 O ATOM 1665 OD2 ASP A 109 0.795 5.606 7.036 1.00 0.00 O ATOM 0 H ASP A 109 -0.915 6.648 9.924 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.020 4.499 8.421 1.00 0.00 H new ATOM 0 HB2 ASP A 109 0.578 4.444 9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 109 0.195 3.632 8.472 1.00 0.00 H new ATOM 1670 N LEU A 110 -3.076 3.188 10.269 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.662 2.320 11.282 1.00 0.00 C ATOM 1672 C LEU A 110 -4.548 1.265 10.627 1.00 0.00 C ATOM 1673 O LEU A 110 -4.358 0.065 10.833 1.00 0.00 O ATOM 1674 CB LEU A 110 -4.487 3.140 12.288 1.00 0.00 C ATOM 1675 CG LEU A 110 -3.702 4.166 13.116 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -4.651 5.044 13.914 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -2.725 3.470 14.055 1.00 0.00 C ATOM 0 H LEU A 110 -3.663 3.326 9.447 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.851 1.824 11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.272 3.665 11.743 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.981 2.450 12.972 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.136 4.793 12.427 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.077 5.766 14.495 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.316 5.574 13.232 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.241 4.423 14.588 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -2.180 4.217 14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.275 2.818 14.734 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.021 2.876 13.472 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.516 1.725 9.833 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.440 0.818 9.167 1.00 0.00 C ATOM 1691 C GLY A 111 -5.761 0.026 8.072 1.00 0.00 C ATOM 1692 O GLY A 111 -6.118 -1.120 7.804 1.00 0.00 O ATOM 0 H GLY A 111 -5.677 2.713 9.639 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.867 0.133 9.899 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.267 1.388 8.743 1.00 0.00 H new ATOM 1696 N ASP A 112 -4.780 0.650 7.449 1.00 0.00 N ATOM 1697 CA ASP A 112 -3.945 0.007 6.448 1.00 0.00 C ATOM 1698 C ASP A 112 -3.188 -1.164 7.064 1.00 0.00 C ATOM 1699 O ASP A 112 -3.141 -2.257 6.497 1.00 0.00 O ATOM 1700 CB ASP A 112 -2.969 1.040 5.889 1.00 0.00 C ATOM 1701 CG ASP A 112 -2.425 1.922 6.992 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -3.154 2.848 7.419 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -1.310 1.660 7.467 1.00 0.00 O ATOM 0 H ASP A 112 -4.537 1.625 7.623 1.00 0.00 H new ATOM 0 HA ASP A 112 -4.567 -0.382 5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -2.146 0.533 5.384 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.472 1.654 5.142 1.00 0.00 H new ATOM 1708 N ILE A 113 -2.607 -0.928 8.237 1.00 0.00 N ATOM 1709 CA ILE A 113 -1.930 -1.976 8.990 1.00 0.00 C ATOM 1710 C ILE A 113 -2.895 -3.120 9.290 1.00 0.00 C ATOM 1711 O ILE A 113 -2.525 -4.292 9.238 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.352 -1.431 10.317 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.387 -0.273 10.044 1.00 0.00 C ATOM 1714 CG2 ILE A 113 -0.650 -2.538 11.095 1.00 0.00 C ATOM 1715 CD1 ILE A 113 0.147 0.384 11.300 1.00 0.00 C ATOM 0 H ILE A 113 -2.593 -0.013 8.688 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.106 -2.343 8.377 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.178 -1.059 10.923 1.00 0.00 H new ATOM 0 HG12 ILE A 113 0.451 -0.642 9.453 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -0.896 0.478 9.440 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -0.251 -2.133 12.025 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -1.362 -3.332 11.321 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.166 -2.943 10.496 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.823 1.194 11.027 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.683 0.784 11.882 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.686 -0.353 11.895 1.00 0.00 H new ATOM 1727 N GLU A 114 -4.143 -2.766 9.578 1.00 0.00 N ATOM 1728 CA GLU A 114 -5.177 -3.752 9.868 1.00 0.00 C ATOM 1729 C GLU A 114 -5.411 -4.679 8.675 1.00 0.00 C ATOM 1730 O GLU A 114 -5.660 -5.870 8.847 1.00 0.00 O ATOM 1731 CB GLU A 114 -6.489 -3.063 10.246 1.00 0.00 C ATOM 1732 CG GLU A 114 -6.443 -2.333 11.578 1.00 0.00 C ATOM 1733 CD GLU A 114 -6.209 -3.271 12.743 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -7.067 -4.142 12.994 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -5.160 -3.148 13.408 1.00 0.00 O ATOM 0 H GLU A 114 -4.464 -1.798 9.617 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.830 -4.351 10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -6.753 -2.352 9.463 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -7.283 -3.809 10.280 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -5.650 -1.585 11.552 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.381 -1.798 11.729 1.00 0.00 H new ATOM 1742 N ALA A 115 -5.314 -4.133 7.470 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.543 -4.908 6.257 1.00 0.00 C ATOM 1744 C ALA A 115 -4.409 -5.901 6.015 1.00 0.00 C ATOM 1745 O ALA A 115 -4.622 -6.987 5.475 1.00 0.00 O ATOM 1746 CB ALA A 115 -5.703 -3.979 5.063 1.00 0.00 C ATOM 0 H ALA A 115 -5.078 -3.154 7.306 1.00 0.00 H new ATOM 0 HA ALA A 115 -6.463 -5.478 6.386 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -5.874 -4.570 4.163 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.553 -3.317 5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.798 -3.384 4.941 1.00 0.00 H new ATOM 1752 N LEU A 116 -3.206 -5.531 6.434 1.00 0.00 N ATOM 1753 CA LEU A 116 -2.030 -6.367 6.211 1.00 0.00 C ATOM 1754 C LEU A 116 -1.783 -7.322 7.375 1.00 0.00 C ATOM 1755 O LEU A 116 -1.121 -8.347 7.205 1.00 0.00 O ATOM 1756 CB LEU A 116 -0.789 -5.494 5.999 1.00 0.00 C ATOM 1757 CG LEU A 116 -0.763 -4.692 4.696 1.00 0.00 C ATOM 1758 CD1 LEU A 116 0.440 -3.763 4.672 1.00 0.00 C ATOM 1759 CD2 LEU A 116 -0.732 -5.624 3.493 1.00 0.00 C ATOM 0 H LEU A 116 -3.017 -4.660 6.929 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.221 -6.961 5.317 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.708 -4.799 6.835 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.093 -6.133 6.029 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.671 -4.092 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.446 -3.199 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.383 -3.072 5.513 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.355 -4.351 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.714 -5.034 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.160 -6.249 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -1.620 -6.257 3.500 1.00 0.00 H new ATOM 1771 N GLN A 117 -2.333 -6.994 8.543 1.00 0.00 N ATOM 1772 CA GLN A 117 -2.011 -7.694 9.796 1.00 0.00 C ATOM 1773 C GLN A 117 -2.138 -9.217 9.672 1.00 0.00 C ATOM 1774 O GLN A 117 -1.356 -9.959 10.264 1.00 0.00 O ATOM 1775 CB GLN A 117 -2.906 -7.184 10.936 1.00 0.00 C ATOM 1776 CG GLN A 117 -4.278 -7.841 11.003 1.00 0.00 C ATOM 1777 CD GLN A 117 -5.180 -7.207 12.038 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -5.154 -7.570 13.212 1.00 0.00 O ATOM 1779 NE2 GLN A 117 -6.004 -6.275 11.602 1.00 0.00 N ATOM 0 H GLN A 117 -3.011 -6.240 8.653 1.00 0.00 H new ATOM 0 HA GLN A 117 -0.967 -7.475 10.021 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.393 -7.346 11.884 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -3.037 -6.108 10.824 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -4.754 -7.778 10.025 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -4.158 -8.900 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -5.993 -6.003 10.619 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -6.653 -5.825 12.248 1.00 0.00 H new ATOM 1788 N GLY A 118 -3.105 -9.676 8.889 1.00 0.00 N ATOM 1789 CA GLY A 118 -3.348 -11.100 8.772 1.00 0.00 C ATOM 1790 C GLY A 118 -2.282 -11.815 7.964 1.00 0.00 C ATOM 1791 O GLY A 118 -1.837 -12.899 8.328 1.00 0.00 O ATOM 0 H GLY A 118 -3.725 -9.088 8.333 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -3.397 -11.538 9.769 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.320 -11.261 8.305 1.00 0.00 H new ATOM 1795 N VAL A 119 -1.867 -11.206 6.866 1.00 0.00 N ATOM 1796 CA VAL A 119 -0.919 -11.838 5.955 1.00 0.00 C ATOM 1797 C VAL A 119 0.530 -11.591 6.373 1.00 0.00 C ATOM 1798 O VAL A 119 1.431 -12.318 5.965 1.00 0.00 O ATOM 1799 CB VAL A 119 -1.133 -11.362 4.503 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -2.493 -11.814 3.994 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -0.998 -9.850 4.390 1.00 0.00 C ATOM 0 H VAL A 119 -2.170 -10.275 6.581 1.00 0.00 H new ATOM 0 HA VAL A 119 -1.108 -12.910 6.006 1.00 0.00 H new ATOM 0 HB VAL A 119 -0.357 -11.813 3.884 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -2.630 -11.471 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.549 -12.902 4.023 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -3.276 -11.393 4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -1.154 -9.547 3.355 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -1.743 -9.370 5.025 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -0.000 -9.549 4.709 1.00 0.00 H new ATOM 1811 N SER A 120 0.729 -10.583 7.211 1.00 0.00 N ATOM 1812 CA SER A 120 2.059 -10.061 7.543 1.00 0.00 C ATOM 1813 C SER A 120 3.077 -11.107 8.028 1.00 0.00 C ATOM 1814 O SER A 120 4.278 -10.836 7.993 1.00 0.00 O ATOM 1815 CB SER A 120 1.939 -8.964 8.604 1.00 0.00 C ATOM 1816 OG SER A 120 1.286 -7.819 8.086 1.00 0.00 O ATOM 0 H SER A 120 -0.031 -10.096 7.687 1.00 0.00 H new ATOM 0 HA SER A 120 2.449 -9.676 6.601 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.386 -9.344 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 120 2.932 -8.689 8.961 1.00 0.00 H new ATOM 0 HG SER A 120 0.546 -8.098 7.507 1.00 0.00 H new ATOM 1822 N LYS A 121 2.648 -12.290 8.470 1.00 0.00 N ATOM 1823 CA LYS A 121 3.577 -13.140 9.213 1.00 0.00 C ATOM 1824 C LYS A 121 3.209 -14.621 9.197 1.00 0.00 C ATOM 1825 O LYS A 121 3.860 -15.426 9.860 1.00 0.00 O ATOM 1826 CB LYS A 121 3.713 -12.629 10.656 1.00 0.00 C ATOM 1827 CG LYS A 121 2.449 -12.735 11.499 1.00 0.00 C ATOM 1828 CD LYS A 121 2.399 -14.025 12.318 1.00 0.00 C ATOM 1829 CE LYS A 121 3.435 -14.048 13.443 1.00 0.00 C ATOM 1830 NZ LYS A 121 4.827 -14.247 12.948 1.00 0.00 N ATOM 0 H LYS A 121 1.710 -12.668 8.336 1.00 0.00 H new ATOM 0 HA LYS A 121 4.537 -13.071 8.701 1.00 0.00 H new ATOM 0 HB2 LYS A 121 4.509 -13.187 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 121 4.026 -11.585 10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 121 2.392 -11.879 12.171 1.00 0.00 H new ATOM 0 HG3 LYS A 121 1.576 -12.688 10.847 1.00 0.00 H new ATOM 0 HD2 LYS A 121 1.403 -14.142 12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 121 2.566 -14.877 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 121 3.383 -13.111 13.997 1.00 0.00 H new ATOM 0 HE3 LYS A 121 3.186 -14.846 14.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 5.361 -14.818 13.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 4.803 -14.739 12.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.290 -13.323 12.832 1.00 0.00 H new ATOM 1844 N PHE A 122 2.185 -15.000 8.456 1.00 0.00 N ATOM 1845 CA PHE A 122 1.902 -16.409 8.284 1.00 0.00 C ATOM 1846 C PHE A 122 2.737 -16.934 7.135 1.00 0.00 C ATOM 1847 O PHE A 122 2.779 -16.311 6.078 1.00 0.00 O ATOM 1848 CB PHE A 122 0.416 -16.660 8.015 1.00 0.00 C ATOM 1849 CG PHE A 122 -0.465 -16.386 9.200 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -0.035 -16.684 10.482 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -1.722 -15.836 9.031 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -0.845 -16.441 11.572 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -2.537 -15.590 10.117 1.00 0.00 C ATOM 1854 CZ PHE A 122 -2.098 -15.890 11.390 1.00 0.00 C ATOM 0 H PHE A 122 1.548 -14.366 7.973 1.00 0.00 H new ATOM 0 HA PHE A 122 2.155 -16.932 9.206 1.00 0.00 H new ATOM 0 HB2 PHE A 122 0.095 -16.034 7.182 1.00 0.00 H new ATOM 0 HB3 PHE A 122 0.282 -17.696 7.705 1.00 0.00 H new ATOM 0 HD1 PHE A 122 0.946 -17.112 10.630 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -2.070 -15.596 8.037 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -0.499 -16.681 12.567 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -3.518 -15.163 9.970 1.00 0.00 H new ATOM 0 HZ PHE A 122 -2.733 -15.694 12.242 1.00 0.00 H new ATOM 1864 N PRO A 123 3.411 -18.078 7.317 1.00 0.00 N ATOM 1865 CA PRO A 123 4.274 -18.669 6.285 1.00 0.00 C ATOM 1866 C PRO A 123 3.536 -18.884 4.964 1.00 0.00 C ATOM 1867 O PRO A 123 4.154 -19.073 3.915 1.00 0.00 O ATOM 1868 CB PRO A 123 4.707 -20.015 6.887 1.00 0.00 C ATOM 1869 CG PRO A 123 3.794 -20.246 8.046 1.00 0.00 C ATOM 1870 CD PRO A 123 3.398 -18.887 8.542 1.00 0.00 C ATOM 0 HA PRO A 123 5.112 -18.016 6.041 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.622 -20.818 6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.748 -19.985 7.208 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.919 -20.821 7.744 1.00 0.00 H new ATOM 0 HG3 PRO A 123 4.295 -20.816 8.829 1.00 0.00 H new ATOM 0 HD2 PRO A 123 2.413 -18.898 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.099 -18.507 9.285 1.00 0.00 H new ATOM 1878 N ALA A 124 2.212 -18.836 5.027 1.00 0.00 N ATOM 1879 CA ALA A 124 1.377 -19.032 3.858 1.00 0.00 C ATOM 1880 C ALA A 124 0.802 -17.716 3.326 1.00 0.00 C ATOM 1881 O ALA A 124 0.272 -17.686 2.217 1.00 0.00 O ATOM 1882 CB ALA A 124 0.255 -20.006 4.181 1.00 0.00 C ATOM 0 H ALA A 124 1.692 -18.661 5.887 1.00 0.00 H new ATOM 0 HA ALA A 124 2.007 -19.447 3.071 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -0.368 -20.149 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 124 0.680 -20.963 4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -0.352 -19.606 4.993 1.00 0.00 H new ATOM 1888 N ARG A 125 0.912 -16.618 4.082 1.00 0.00 N ATOM 1889 CA ARG A 125 0.303 -15.368 3.655 1.00 0.00 C ATOM 1890 C ARG A 125 1.348 -14.271 3.586 1.00 0.00 C ATOM 1891 O ARG A 125 1.056 -13.139 3.210 1.00 0.00 O ATOM 1892 CB ARG A 125 -0.807 -14.965 4.625 1.00 0.00 C ATOM 1893 CG ARG A 125 -1.928 -15.983 4.739 1.00 0.00 C ATOM 1894 CD ARG A 125 -2.978 -15.529 5.737 1.00 0.00 C ATOM 1895 NE ARG A 125 -4.089 -16.470 5.838 1.00 0.00 N ATOM 1896 CZ ARG A 125 -5.258 -16.183 6.406 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -5.454 -14.989 6.957 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -6.232 -17.084 6.416 1.00 0.00 N ATOM 0 H ARG A 125 1.407 -16.575 4.973 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.126 -15.511 2.663 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -0.373 -14.806 5.612 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -1.227 -14.012 4.304 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.390 -16.131 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -1.520 -16.945 5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -2.517 -15.408 6.717 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.358 -14.551 5.441 1.00 0.00 H new ATOM 0 HE ARG A 125 -3.962 -17.405 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.709 -14.293 6.944 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -6.350 -14.769 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.085 -17.998 5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -7.127 -16.862 6.852 1.00 0.00 H new ATOM 1912 N ILE A 126 2.582 -14.640 3.887 1.00 0.00 N ATOM 1913 CA ILE A 126 3.647 -13.672 4.101 1.00 0.00 C ATOM 1914 C ILE A 126 4.173 -13.194 2.764 1.00 0.00 C ATOM 1915 O ILE A 126 4.685 -12.084 2.632 1.00 0.00 O ATOM 1916 CB ILE A 126 4.795 -14.271 4.956 1.00 0.00 C ATOM 1917 CG1 ILE A 126 5.836 -13.200 5.297 1.00 0.00 C ATOM 1918 CG2 ILE A 126 5.450 -15.450 4.241 1.00 0.00 C ATOM 1919 CD1 ILE A 126 6.930 -13.692 6.221 1.00 0.00 C ATOM 0 H ILE A 126 2.873 -15.612 3.990 1.00 0.00 H new ATOM 0 HA ILE A 126 3.238 -12.825 4.652 1.00 0.00 H new ATOM 0 HB ILE A 126 4.364 -14.637 5.888 1.00 0.00 H new ATOM 0 HG12 ILE A 126 6.287 -12.837 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 126 5.334 -12.351 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 126 6.251 -15.852 4.861 1.00 0.00 H new ATOM 0 HG22 ILE A 126 4.706 -16.226 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 126 5.861 -15.115 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 126 7.631 -12.881 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.490 -14.028 7.160 1.00 0.00 H new ATOM 0 HD13 ILE A 126 7.458 -14.521 5.750 1.00 0.00 H new ATOM 1931 N LYS A 127 3.991 -14.030 1.759 1.00 0.00 N ATOM 1932 CA LYS A 127 4.384 -13.679 0.409 1.00 0.00 C ATOM 1933 C LYS A 127 3.366 -12.706 -0.178 1.00 0.00 C ATOM 1934 O LYS A 127 3.648 -11.995 -1.137 1.00 0.00 O ATOM 1935 CB LYS A 127 4.528 -14.938 -0.453 1.00 0.00 C ATOM 1936 CG LYS A 127 5.551 -15.925 0.095 1.00 0.00 C ATOM 1937 CD LYS A 127 6.921 -15.281 0.235 1.00 0.00 C ATOM 1938 CE LYS A 127 7.904 -16.198 0.942 1.00 0.00 C ATOM 1939 NZ LYS A 127 9.253 -15.581 1.041 1.00 0.00 N ATOM 0 H LYS A 127 3.574 -14.956 1.853 1.00 0.00 H new ATOM 0 HA LYS A 127 5.357 -13.188 0.427 1.00 0.00 H new ATOM 0 HB2 LYS A 127 3.559 -15.432 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 127 4.817 -14.648 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 127 5.220 -16.294 1.066 1.00 0.00 H new ATOM 0 HG3 LYS A 127 5.618 -16.788 -0.568 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.306 -15.027 -0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 127 6.829 -14.348 0.791 1.00 0.00 H new ATOM 0 HE2 LYS A 127 7.534 -16.428 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 127 7.974 -17.143 0.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 9.899 -16.234 1.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.616 -15.384 0.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 9.190 -14.692 1.577 1.00 0.00 H new ATOM 1953 N CYS A 128 2.176 -12.678 0.415 1.00 0.00 N ATOM 1954 CA CYS A 128 1.169 -11.686 0.058 1.00 0.00 C ATOM 1955 C CYS A 128 1.395 -10.409 0.860 1.00 0.00 C ATOM 1956 O CYS A 128 0.999 -9.320 0.444 1.00 0.00 O ATOM 1957 CB CYS A 128 -0.245 -12.225 0.294 1.00 0.00 C ATOM 1958 SG CYS A 128 -0.742 -13.531 -0.856 1.00 0.00 S ATOM 0 H CYS A 128 1.886 -13.330 1.144 1.00 0.00 H new ATOM 0 HA CYS A 128 1.266 -11.462 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -0.310 -12.609 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -0.954 -11.400 0.218 1.00 0.00 H new ATOM 1964 N ALA A 129 2.040 -10.552 2.012 1.00 0.00 N ATOM 1965 CA ALA A 129 2.415 -9.405 2.826 1.00 0.00 C ATOM 1966 C ALA A 129 3.551 -8.653 2.158 1.00 0.00 C ATOM 1967 O ALA A 129 3.503 -7.432 2.010 1.00 0.00 O ATOM 1968 CB ALA A 129 2.821 -9.848 4.221 1.00 0.00 C ATOM 0 H ALA A 129 2.314 -11.453 2.403 1.00 0.00 H new ATOM 0 HA ALA A 129 1.554 -8.742 2.918 1.00 0.00 H new ATOM 0 HB1 ALA A 129 3.098 -8.976 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.985 -10.360 4.698 1.00 0.00 H new ATOM 0 HB3 ALA A 129 3.672 -10.526 4.154 1.00 0.00 H new ATOM 1974 N THR A 130 4.569 -9.398 1.739 1.00 0.00 N ATOM 1975 CA THR A 130 5.678 -8.829 0.989 1.00 0.00 C ATOM 1976 C THR A 130 5.165 -8.226 -0.317 1.00 0.00 C ATOM 1977 O THR A 130 5.711 -7.248 -0.822 1.00 0.00 O ATOM 1978 CB THR A 130 6.749 -9.899 0.687 1.00 0.00 C ATOM 1979 OG1 THR A 130 7.124 -10.563 1.900 1.00 0.00 O ATOM 1980 CG2 THR A 130 7.986 -9.280 0.048 1.00 0.00 C ATOM 0 H THR A 130 4.647 -10.401 1.908 1.00 0.00 H new ATOM 0 HA THR A 130 6.136 -8.048 1.595 1.00 0.00 H new ATOM 0 HB THR A 130 6.321 -10.615 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 130 6.421 -11.195 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.721 -10.060 -0.152 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.708 -8.795 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.415 -8.542 0.726 1.00 0.00 H new ATOM 1988 N LEU A 131 4.091 -8.809 -0.834 1.00 0.00 N ATOM 1989 CA LEU A 131 3.440 -8.312 -2.036 1.00 0.00 C ATOM 1990 C LEU A 131 2.953 -6.879 -1.835 1.00 0.00 C ATOM 1991 O LEU A 131 3.480 -5.951 -2.438 1.00 0.00 O ATOM 1992 CB LEU A 131 2.271 -9.241 -2.400 1.00 0.00 C ATOM 1993 CG LEU A 131 1.504 -8.919 -3.689 1.00 0.00 C ATOM 1994 CD1 LEU A 131 0.856 -10.180 -4.219 1.00 0.00 C ATOM 1995 CD2 LEU A 131 0.430 -7.865 -3.455 1.00 0.00 C ATOM 0 H LEU A 131 3.649 -9.636 -0.433 1.00 0.00 H new ATOM 0 HA LEU A 131 4.158 -8.303 -2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.657 -10.257 -2.480 1.00 0.00 H new ATOM 0 HB3 LEU A 131 1.562 -9.234 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 131 2.217 -8.524 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.311 -9.952 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.625 -10.923 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.165 -10.575 -3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.092 -7.663 -4.391 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.282 -8.229 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.894 -6.947 -3.093 1.00 0.00 H new ATOM 2007 N SER A 132 1.974 -6.706 -0.957 1.00 0.00 N ATOM 2008 CA SER A 132 1.300 -5.423 -0.812 1.00 0.00 C ATOM 2009 C SER A 132 2.212 -4.384 -0.156 1.00 0.00 C ATOM 2010 O SER A 132 2.271 -3.233 -0.596 1.00 0.00 O ATOM 2011 CB SER A 132 0.012 -5.596 0.001 1.00 0.00 C ATOM 2012 OG SER A 132 -0.843 -4.476 -0.136 1.00 0.00 O ATOM 0 H SER A 132 1.629 -7.437 -0.335 1.00 0.00 H new ATOM 0 HA SER A 132 1.047 -5.058 -1.808 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.509 -6.495 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 132 0.261 -5.739 1.053 1.00 0.00 H new ATOM 0 HG SER A 132 -1.631 -4.729 -0.660 1.00 0.00 H new ATOM 2018 N TRP A 133 2.943 -4.797 0.872 1.00 0.00 N ATOM 2019 CA TRP A 133 3.779 -3.873 1.622 1.00 0.00 C ATOM 2020 C TRP A 133 4.940 -3.377 0.768 1.00 0.00 C ATOM 2021 O TRP A 133 5.104 -2.174 0.570 1.00 0.00 O ATOM 2022 CB TRP A 133 4.298 -4.539 2.905 1.00 0.00 C ATOM 2023 CG TRP A 133 5.228 -3.676 3.707 1.00 0.00 C ATOM 2024 CD1 TRP A 133 5.169 -2.319 3.852 1.00 0.00 C ATOM 2025 CD2 TRP A 133 6.346 -4.113 4.488 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.195 -1.885 4.652 1.00 0.00 N ATOM 2027 CE2 TRP A 133 6.928 -2.966 5.062 1.00 0.00 C ATOM 2028 CE3 TRP A 133 6.920 -5.363 4.752 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 8.050 -3.030 5.882 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 8.033 -5.425 5.572 1.00 0.00 C ATOM 2031 CH2 TRP A 133 8.587 -4.264 6.129 1.00 0.00 C ATOM 0 H TRP A 133 2.973 -5.761 1.203 1.00 0.00 H new ATOM 0 HA TRP A 133 3.171 -3.012 1.901 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.448 -4.816 3.528 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.813 -5.462 2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 133 4.423 -1.681 3.402 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.382 -0.914 4.901 1.00 0.00 H new ATOM 0 HE3 TRP A 133 6.502 -6.262 4.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 8.482 -2.137 6.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 8.482 -6.384 5.786 1.00 0.00 H new ATOM 0 HH2 TRP A 133 9.455 -4.345 6.766 1.00 0.00 H new ATOM 2042 N LYS A 134 5.721 -4.302 0.228 1.00 0.00 N ATOM 2043 CA LYS A 134 6.924 -3.930 -0.501 1.00 0.00 C ATOM 2044 C LYS A 134 6.578 -3.245 -1.820 1.00 0.00 C ATOM 2045 O LYS A 134 7.365 -2.462 -2.331 1.00 0.00 O ATOM 2046 CB LYS A 134 7.823 -5.146 -0.749 1.00 0.00 C ATOM 2047 CG LYS A 134 9.163 -4.789 -1.373 1.00 0.00 C ATOM 2048 CD LYS A 134 10.067 -6.003 -1.505 1.00 0.00 C ATOM 2049 CE LYS A 134 11.421 -5.622 -2.086 1.00 0.00 C ATOM 2050 NZ LYS A 134 12.342 -6.785 -2.174 1.00 0.00 N ATOM 0 H LYS A 134 5.546 -5.305 0.280 1.00 0.00 H new ATOM 0 HA LYS A 134 7.475 -3.222 0.118 1.00 0.00 H new ATOM 0 HB2 LYS A 134 7.996 -5.659 0.197 1.00 0.00 H new ATOM 0 HB3 LYS A 134 7.302 -5.847 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 134 9.000 -4.349 -2.357 1.00 0.00 H new ATOM 0 HG3 LYS A 134 9.657 -4.033 -0.764 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.205 -6.465 -0.527 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.591 -6.746 -2.144 1.00 0.00 H new ATOM 0 HE2 LYS A 134 11.281 -5.196 -3.079 1.00 0.00 H new ATOM 0 HE3 LYS A 134 11.875 -4.847 -1.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 13.251 -6.478 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 12.498 -7.177 -1.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.923 -7.515 -2.785 1.00 0.00 H new ATOM 2064 N ALA A 135 5.398 -3.529 -2.362 1.00 0.00 N ATOM 2065 CA ALA A 135 4.961 -2.882 -3.597 1.00 0.00 C ATOM 2066 C ALA A 135 4.775 -1.385 -3.386 1.00 0.00 C ATOM 2067 O ALA A 135 5.134 -0.580 -4.244 1.00 0.00 O ATOM 2068 CB ALA A 135 3.673 -3.502 -4.116 1.00 0.00 C ATOM 0 H ALA A 135 4.732 -4.196 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 135 5.740 -3.036 -4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.372 -3.000 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 135 3.834 -4.561 -4.317 1.00 0.00 H new ATOM 0 HB3 ALA A 135 2.888 -3.390 -3.368 1.00 0.00 H new ATOM 2074 N LEU A 136 4.240 -1.015 -2.230 1.00 0.00 N ATOM 2075 CA LEU A 136 3.998 0.386 -1.932 1.00 0.00 C ATOM 2076 C LEU A 136 5.319 1.063 -1.579 1.00 0.00 C ATOM 2077 O LEU A 136 5.622 2.158 -2.060 1.00 0.00 O ATOM 2078 CB LEU A 136 3.007 0.533 -0.772 1.00 0.00 C ATOM 2079 CG LEU A 136 2.044 1.719 -0.887 1.00 0.00 C ATOM 2080 CD1 LEU A 136 0.879 1.374 -1.803 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.536 2.141 0.480 1.00 0.00 C ATOM 0 H LEU A 136 3.968 -1.662 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 136 3.565 0.863 -2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.422 -0.384 -0.695 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.570 0.631 0.156 1.00 0.00 H new ATOM 0 HG LEU A 136 2.591 2.557 -1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.206 2.228 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.257 1.128 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.339 0.518 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 136 0.854 2.985 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 136 1.010 1.308 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.378 2.434 1.107 1.00 0.00 H new ATOM 2093 N GLU A 137 6.116 0.375 -0.763 1.00 0.00 N ATOM 2094 CA GLU A 137 7.422 0.872 -0.334 1.00 0.00 C ATOM 2095 C GLU A 137 8.393 0.945 -1.512 1.00 0.00 C ATOM 2096 O GLU A 137 9.402 1.645 -1.459 1.00 0.00 O ATOM 2097 CB GLU A 137 8.004 -0.043 0.749 1.00 0.00 C ATOM 2098 CG GLU A 137 7.106 -0.208 1.967 1.00 0.00 C ATOM 2099 CD GLU A 137 7.055 1.023 2.853 1.00 0.00 C ATOM 2100 OE1 GLU A 137 6.602 2.084 2.380 1.00 0.00 O ATOM 2101 OE2 GLU A 137 7.458 0.919 4.035 1.00 0.00 O ATOM 0 H GLU A 137 5.875 -0.540 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 137 7.285 1.875 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.196 -1.025 0.316 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.965 0.357 1.071 1.00 0.00 H new ATOM 0 HG2 GLU A 137 6.096 -0.448 1.634 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.458 -1.055 2.556 1.00 0.00 H new ATOM 2108 N LYS A 138 8.090 0.210 -2.574 1.00 0.00 N ATOM 2109 CA LYS A 138 8.950 0.193 -3.755 1.00 0.00 C ATOM 2110 C LYS A 138 8.610 1.358 -4.679 1.00 0.00 C ATOM 2111 O LYS A 138 9.382 1.697 -5.577 1.00 0.00 O ATOM 2112 CB LYS A 138 8.806 -1.139 -4.501 1.00 0.00 C ATOM 2113 CG LYS A 138 9.820 -1.346 -5.615 1.00 0.00 C ATOM 2114 CD LYS A 138 9.711 -2.743 -6.206 1.00 0.00 C ATOM 2115 CE LYS A 138 10.768 -2.988 -7.270 1.00 0.00 C ATOM 2116 NZ LYS A 138 10.608 -2.077 -8.435 1.00 0.00 N ATOM 0 H LYS A 138 7.261 -0.380 -2.644 1.00 0.00 H new ATOM 0 HA LYS A 138 9.985 0.300 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 138 8.899 -1.955 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 138 7.803 -1.199 -4.923 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.661 -0.604 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 138 10.827 -1.190 -5.227 1.00 0.00 H new ATOM 0 HD2 LYS A 138 9.815 -3.483 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 138 8.720 -2.878 -6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.758 -2.850 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.709 -4.023 -7.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 11.259 -2.365 -9.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 9.629 -2.127 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 10.823 -1.102 -8.145 1.00 0.00 H new ATOM 2130 N GLY A 139 7.460 1.976 -4.444 1.00 0.00 N ATOM 2131 CA GLY A 139 7.032 3.080 -5.276 1.00 0.00 C ATOM 2132 C GLY A 139 7.900 4.305 -5.091 1.00 0.00 C ATOM 2133 O GLY A 139 8.654 4.684 -5.985 1.00 0.00 O ATOM 0 H GLY A 139 6.817 1.731 -3.691 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.056 2.775 -6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 139 5.998 3.331 -5.040 1.00 0.00 H new ATOM 2137 N VAL A 140 7.814 4.913 -3.919 1.00 0.00 N ATOM 2138 CA VAL A 140 8.551 6.136 -3.639 1.00 0.00 C ATOM 2139 C VAL A 140 9.764 5.858 -2.763 1.00 0.00 C ATOM 2140 O VAL A 140 10.461 6.787 -2.362 1.00 0.00 O ATOM 2141 CB VAL A 140 7.658 7.184 -2.942 1.00 0.00 C ATOM 2142 CG1 VAL A 140 6.507 7.591 -3.843 1.00 0.00 C ATOM 2143 CG2 VAL A 140 7.134 6.654 -1.614 1.00 0.00 C ATOM 0 H VAL A 140 7.240 4.579 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 140 8.882 6.532 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 140 8.267 8.066 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.890 8.330 -3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.900 8.020 -4.764 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.903 6.715 -4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.507 7.411 -1.142 1.00 0.00 H new ATOM 0 HG22 VAL A 140 6.546 5.753 -1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.973 6.418 -0.960 1.00 0.00 H new ATOM 2153 N ALA A 141 10.009 4.568 -2.506 1.00 0.00 N ATOM 2154 CA ALA A 141 11.042 4.114 -1.567 1.00 0.00 C ATOM 2155 C ALA A 141 10.605 4.378 -0.129 1.00 0.00 C ATOM 2156 O ALA A 141 9.684 5.160 0.115 1.00 0.00 O ATOM 2157 CB ALA A 141 12.400 4.749 -1.857 1.00 0.00 C ATOM 0 H ALA A 141 9.494 3.805 -2.946 1.00 0.00 H new ATOM 0 HA ALA A 141 11.163 3.039 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.133 4.384 -1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 141 12.718 4.484 -2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 141 12.320 5.833 -1.775 1.00 0.00 H new ATOM 2163 N LYS A 142 11.240 3.716 0.822 1.00 0.00 N ATOM 2164 CA LYS A 142 10.848 3.870 2.211 1.00 0.00 C ATOM 2165 C LYS A 142 12.006 4.379 3.060 1.00 0.00 C ATOM 2166 O LYS A 142 13.174 4.098 2.768 1.00 0.00 O ATOM 2167 CB LYS A 142 10.303 2.549 2.770 1.00 0.00 C ATOM 2168 CG LYS A 142 11.356 1.505 3.101 1.00 0.00 C ATOM 2169 CD LYS A 142 10.706 0.164 3.389 1.00 0.00 C ATOM 2170 CE LYS A 142 11.644 -0.773 4.127 1.00 0.00 C ATOM 2171 NZ LYS A 142 11.883 -0.327 5.525 1.00 0.00 N ATOM 0 H LYS A 142 12.018 3.076 0.662 1.00 0.00 H new ATOM 0 HA LYS A 142 10.053 4.615 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 142 9.730 2.763 3.672 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.609 2.125 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 142 12.053 1.406 2.268 1.00 0.00 H new ATOM 0 HG3 LYS A 142 11.936 1.827 3.966 1.00 0.00 H new ATOM 0 HD2 LYS A 142 9.805 0.317 3.983 1.00 0.00 H new ATOM 0 HD3 LYS A 142 10.395 -0.298 2.452 1.00 0.00 H new ATOM 0 HE2 LYS A 142 11.223 -1.778 4.133 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.594 -0.829 3.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 12.149 -1.145 6.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 12.652 0.373 5.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 11.016 0.103 5.905 1.00 0.00 H new ATOM 2185 N GLU A 143 11.663 5.150 4.095 1.00 0.00 N ATOM 2186 CA GLU A 143 12.635 5.678 5.050 1.00 0.00 C ATOM 2187 C GLU A 143 13.585 6.661 4.372 1.00 0.00 C ATOM 2188 O GLU A 143 13.273 7.208 3.312 1.00 0.00 O ATOM 2189 CB GLU A 143 13.425 4.532 5.697 1.00 0.00 C ATOM 2190 CG GLU A 143 12.544 3.518 6.408 1.00 0.00 C ATOM 2191 CD GLU A 143 13.338 2.433 7.096 1.00 0.00 C ATOM 2192 OE1 GLU A 143 13.667 1.425 6.435 1.00 0.00 O ATOM 2193 OE2 GLU A 143 13.633 2.580 8.301 1.00 0.00 O ATOM 0 H GLU A 143 10.701 5.425 4.293 1.00 0.00 H new ATOM 0 HA GLU A 143 12.091 6.212 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 143 14.006 4.022 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 143 14.136 4.948 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 143 11.927 4.033 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 143 11.866 3.063 5.686 1.00 0.00 H new ATOM 2200 N GLU A 144 14.724 6.916 5.000 1.00 0.00 N ATOM 2201 CA GLU A 144 15.769 7.706 4.371 1.00 0.00 C ATOM 2202 C GLU A 144 16.419 6.893 3.259 1.00 0.00 C ATOM 2203 O GLU A 144 17.397 6.176 3.484 1.00 0.00 O ATOM 2204 CB GLU A 144 16.821 8.153 5.391 1.00 0.00 C ATOM 2205 CG GLU A 144 16.438 9.392 6.194 1.00 0.00 C ATOM 2206 CD GLU A 144 15.196 9.212 7.046 1.00 0.00 C ATOM 2207 OE1 GLU A 144 15.305 8.642 8.154 1.00 0.00 O ATOM 2208 OE2 GLU A 144 14.112 9.667 6.623 1.00 0.00 O ATOM 0 H GLU A 144 14.946 6.588 5.940 1.00 0.00 H new ATOM 0 HA GLU A 144 15.318 8.604 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 144 17.010 7.332 6.082 1.00 0.00 H new ATOM 0 HB3 GLU A 144 17.756 8.350 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 144 17.272 9.667 6.839 1.00 0.00 H new ATOM 0 HG3 GLU A 144 16.278 10.223 5.507 1.00 0.00 H new ATOM 2215 N GLY A 145 15.834 6.969 2.074 1.00 0.00 N ATOM 2216 CA GLY A 145 16.334 6.215 0.947 1.00 0.00 C ATOM 2217 C GLY A 145 17.413 6.953 0.189 1.00 0.00 C ATOM 2218 O GLY A 145 17.227 8.103 -0.207 1.00 0.00 O ATOM 0 H GLY A 145 15.016 7.544 1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 145 16.729 5.262 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 145 15.510 5.989 0.271 1.00 0.00 H new ATOM 2222 N GLY A 146 18.544 6.295 -0.001 1.00 0.00 N ATOM 2223 CA GLY A 146 19.628 6.889 -0.749 1.00 0.00 C ATOM 2224 C GLY A 146 19.428 6.760 -2.244 1.00 0.00 C ATOM 2225 O GLY A 146 18.545 6.028 -2.702 1.00 0.00 O ATOM 0 H GLY A 146 18.731 5.356 0.351 1.00 0.00 H new ATOM 0 HA2 GLY A 146 19.715 7.943 -0.485 1.00 0.00 H new ATOM 0 HA3 GLY A 146 20.566 6.412 -0.467 1.00 0.00 H new ATOM 2229 N ASN A 147 20.251 7.461 -3.005 1.00 0.00 N ATOM 2230 CA ASN A 147 20.134 7.474 -4.457 1.00 0.00 C ATOM 2231 C ASN A 147 21.476 7.793 -5.104 1.00 0.00 C ATOM 2232 O ASN A 147 22.531 7.427 -4.577 1.00 0.00 O ATOM 2233 CB ASN A 147 19.080 8.497 -4.895 1.00 0.00 C ATOM 2234 CG ASN A 147 19.492 9.936 -4.635 1.00 0.00 C ATOM 2235 OD1 ASN A 147 20.250 10.231 -3.707 1.00 0.00 O ATOM 2236 ND2 ASN A 147 18.979 10.845 -5.448 1.00 0.00 N ATOM 0 H ASN A 147 21.013 8.033 -2.640 1.00 0.00 H new ATOM 0 HA ASN A 147 19.822 6.482 -4.784 1.00 0.00 H new ATOM 0 HB2 ASN A 147 18.881 8.370 -5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 147 18.147 8.294 -4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 147 19.207 11.831 -5.319 1.00 0.00 H new ATOM 0 HD22 ASN A 147 18.356 10.560 -6.204 1.00 0.00 H new TER 2243 ASN A 147 HETATM 2244 ZN ZN A 150 -2.872 -14.074 -1.502 1.00 0.00 ZN