USER MOD reduce.3.24.130724 H: found=0, std=0, add=1022, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1025 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 38 CYS SG : rot 90:sc= -1.27 USER MOD Set 1.2: A 79 CYS SG : rot 9:sc= -1.29 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl -163:sc= 0 (180deg=-0.423) USER MOD Single : A 7 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-0.25) USER MOD Single : A 9 HIS : no HE2:sc= -0.0564 K(o=-0.056,f=-1.8) USER MOD Single : A 10 ASN : amide:sc= -0.0981 K(o=-0.098,f=-0.8) USER MOD Single : A 13 GLN : amide:sc= -0.351 K(o=-0.35,f=-2.6!) USER MOD Single : A 16 GLN : amide:sc= -1.01 K(o=-1,f=0.32) USER MOD Single : A 20 SER OG : rot -170:sc= -1.02 USER MOD Single : A 32 HIS : no HD1:sc= -0.491 X(o=-0.49,f=-0.46) USER MOD Single : A 37 THR OG1 : rot 178:sc= 1.11 USER MOD Single : A 39 MET CE :methyl 159:sc= -0.116 (180deg=-0.663) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -119:sc= -1.1 (180deg=-3.27) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000278) USER MOD Single : A 53 LYS NZ :NH3+ -135:sc= 0 (180deg=-1.24!) USER MOD Single : A 54 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-0.58) USER MOD Single : A 59 TYR OH : rot -171:sc= -2.76! USER MOD Single : A 64 THR OG1 : rot -49:sc= 0.427 USER MOD Single : A 70 ASN : amide:sc= -6.12 K(o=-6.1,f=-7.3!) USER MOD Single : A 71 LYS NZ :NH3+ 153:sc= -0.0516 (180deg=-0.495) USER MOD Single : A 72 MET CE :methyl 165:sc= 0 (180deg=-0.326) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 163:sc= -0.348 (180deg=-0.904) USER MOD Single : A 87 ASN : amide:sc= -0.854 X(o=-0.85,f=-1.3) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.027) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -25:sc= -0.117 USER MOD Single : A 98 ASN : amide:sc= -0.183 X(o=-0.18,f=-0.014) USER MOD Single : A 99 ASN : amide:sc=-0.00225 K(o=-0.0022,f=-6.5!) USER MOD Single : A 100 ASN : amide:sc= -0.463 X(o=-0.46,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.32) USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 MET CE :methyl 179:sc= -10.3! (180deg=-10.5!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 120 TYR OH : rot 131:sc= 1.3 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -11.411 4.306 -9.509 1.00 0.00 N ATOM 2 CA SER A 2 -10.996 3.724 -10.813 1.00 0.00 C ATOM 3 C SER A 2 -10.464 4.800 -11.753 1.00 0.00 C ATOM 4 O SER A 2 -10.736 4.781 -12.953 1.00 0.00 O ATOM 5 CB SER A 2 -12.204 3.025 -11.441 1.00 0.00 C ATOM 6 OG SER A 2 -12.281 1.671 -11.033 1.00 0.00 O ATOM 0 HA SER A 2 -10.192 3.008 -10.645 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.118 3.546 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.133 3.077 -12.527 1.00 0.00 H new ATOM 0 HG SER A 2 -13.062 1.249 -11.447 1.00 0.00 H new ATOM 14 N TYR A 3 -9.701 5.738 -11.199 1.00 0.00 N ATOM 15 CA TYR A 3 -9.129 6.822 -11.988 1.00 0.00 C ATOM 16 C TYR A 3 -7.813 7.299 -11.384 1.00 0.00 C ATOM 17 O TYR A 3 -7.764 8.327 -10.708 1.00 0.00 O ATOM 18 CB TYR A 3 -10.114 7.989 -12.079 1.00 0.00 C ATOM 19 CG TYR A 3 -11.529 7.565 -12.406 1.00 0.00 C ATOM 20 CD1 TYR A 3 -12.386 7.114 -11.412 1.00 0.00 C ATOM 21 CD2 TYR A 3 -12.004 7.616 -13.710 1.00 0.00 C ATOM 22 CE1 TYR A 3 -13.679 6.725 -11.707 1.00 0.00 C ATOM 23 CE2 TYR A 3 -13.296 7.229 -14.013 1.00 0.00 C ATOM 24 CZ TYR A 3 -14.129 6.785 -13.009 1.00 0.00 C ATOM 25 OH TYR A 3 -15.416 6.399 -13.306 1.00 0.00 O ATOM 0 H TYR A 3 -9.465 5.768 -10.207 1.00 0.00 H new ATOM 0 HA TYR A 3 -8.931 6.443 -12.991 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -10.115 8.527 -11.131 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.768 8.687 -12.841 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.037 7.066 -10.391 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -11.354 7.963 -14.499 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -14.333 6.376 -10.922 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -13.651 7.274 -15.032 1.00 0.00 H new ATOM 0 HH TYR A 3 -15.575 6.503 -14.267 1.00 0.00 H new ATOM 35 N MET A 4 -6.746 6.545 -11.633 1.00 0.00 N ATOM 36 CA MET A 4 -5.428 6.890 -11.113 1.00 0.00 C ATOM 37 C MET A 4 -5.433 6.913 -9.588 1.00 0.00 C ATOM 38 O MET A 4 -5.877 7.882 -8.974 1.00 0.00 O ATOM 39 CB MET A 4 -4.984 8.251 -11.653 1.00 0.00 C ATOM 40 CG MET A 4 -3.492 8.337 -11.931 1.00 0.00 C ATOM 41 SD MET A 4 -2.880 10.033 -11.922 1.00 0.00 S ATOM 42 CE MET A 4 -4.107 10.841 -12.947 1.00 0.00 C ATOM 0 H MET A 4 -6.769 5.692 -12.191 1.00 0.00 H new ATOM 0 HA MET A 4 -4.724 6.127 -11.445 1.00 0.00 H new ATOM 0 HB2 MET A 4 -5.529 8.463 -12.572 1.00 0.00 H new ATOM 0 HB3 MET A 4 -5.257 9.024 -10.935 1.00 0.00 H new ATOM 0 HG2 MET A 4 -2.953 7.756 -11.182 1.00 0.00 H new ATOM 0 HG3 MET A 4 -3.280 7.884 -12.899 1.00 0.00 H new ATOM 0 HE1 MET A 4 -3.722 11.803 -13.286 1.00 0.00 H new ATOM 0 HE2 MET A 4 -4.329 10.214 -13.811 1.00 0.00 H new ATOM 0 HE3 MET A 4 -5.018 10.998 -12.369 1.00 0.00 H new ATOM 52 N LEU A 5 -4.940 5.836 -8.983 1.00 0.00 N ATOM 53 CA LEU A 5 -4.888 5.722 -7.531 1.00 0.00 C ATOM 54 C LEU A 5 -4.258 6.966 -6.901 1.00 0.00 C ATOM 55 O LEU A 5 -3.045 7.163 -6.983 1.00 0.00 O ATOM 56 CB LEU A 5 -4.098 4.476 -7.129 1.00 0.00 C ATOM 57 CG LEU A 5 -4.812 3.147 -7.383 1.00 0.00 C ATOM 58 CD1 LEU A 5 -4.632 2.713 -8.830 1.00 0.00 C ATOM 59 CD2 LEU A 5 -4.297 2.075 -6.434 1.00 0.00 C ATOM 0 H LEU A 5 -4.569 5.026 -9.480 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.910 5.635 -7.163 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.153 4.473 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.856 4.544 -6.068 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.877 3.287 -7.197 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.146 1.766 -8.992 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.050 3.471 -9.492 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.570 2.590 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.816 1.137 -6.629 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.227 1.937 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.479 2.383 -5.404 1.00 0.00 H new ATOM 71 N PRO A 6 -5.075 7.827 -6.266 1.00 0.00 N ATOM 72 CA PRO A 6 -4.587 9.053 -5.630 1.00 0.00 C ATOM 73 C PRO A 6 -3.965 8.795 -4.262 1.00 0.00 C ATOM 74 O PRO A 6 -3.717 7.649 -3.884 1.00 0.00 O ATOM 75 CB PRO A 6 -5.855 9.890 -5.491 1.00 0.00 C ATOM 76 CG PRO A 6 -6.946 8.889 -5.321 1.00 0.00 C ATOM 77 CD PRO A 6 -6.538 7.678 -6.121 1.00 0.00 C ATOM 0 HA PRO A 6 -3.797 9.531 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.795 10.562 -4.634 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.019 10.511 -6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.079 8.634 -4.270 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.897 9.287 -5.675 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -6.797 6.753 -5.606 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.035 7.653 -7.091 1.00 0.00 H new ATOM 85 N HIS A 7 -3.715 9.871 -3.523 1.00 0.00 N ATOM 86 CA HIS A 7 -3.123 9.770 -2.194 1.00 0.00 C ATOM 87 C HIS A 7 -4.140 10.132 -1.117 1.00 0.00 C ATOM 88 O HIS A 7 -5.316 10.348 -1.407 1.00 0.00 O ATOM 89 CB HIS A 7 -1.899 10.683 -2.088 1.00 0.00 C ATOM 90 CG HIS A 7 -2.223 12.137 -2.242 1.00 0.00 C ATOM 91 ND1 HIS A 7 -2.333 13.002 -1.174 1.00 0.00 N ATOM 92 CD2 HIS A 7 -2.460 12.878 -3.350 1.00 0.00 C ATOM 93 CE1 HIS A 7 -2.625 14.211 -1.618 1.00 0.00 C ATOM 94 NE2 HIS A 7 -2.706 14.164 -2.935 1.00 0.00 N ATOM 0 H HIS A 7 -3.914 10.825 -3.823 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.811 8.737 -2.039 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -1.421 10.526 -1.121 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -1.175 10.397 -2.851 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.456 12.524 -4.370 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -2.773 15.089 -1.007 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -2.917 14.954 -3.545 1.00 0.00 H new ATOM 103 N LEU A 8 -3.679 10.198 0.128 1.00 0.00 N ATOM 104 CA LEU A 8 -4.548 10.537 1.249 1.00 0.00 C ATOM 105 C LEU A 8 -3.851 11.500 2.205 1.00 0.00 C ATOM 106 O LEU A 8 -2.795 11.189 2.755 1.00 0.00 O ATOM 107 CB LEU A 8 -4.969 9.268 1.996 1.00 0.00 C ATOM 108 CG LEU A 8 -6.326 8.697 1.587 1.00 0.00 C ATOM 109 CD1 LEU A 8 -6.234 8.022 0.227 1.00 0.00 C ATOM 110 CD2 LEU A 8 -6.830 7.719 2.638 1.00 0.00 C ATOM 0 H LEU A 8 -2.708 10.021 0.386 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.437 11.028 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.208 8.503 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.990 9.483 3.064 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.038 9.519 1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.210 7.622 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -5.918 8.750 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.508 7.210 0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.797 7.322 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.118 6.900 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.936 8.234 3.593 1.00 0.00 H new ATOM 122 N HIS A 9 -4.450 12.671 2.398 1.00 0.00 N ATOM 123 CA HIS A 9 -3.887 13.681 3.287 1.00 0.00 C ATOM 124 C HIS A 9 -4.817 13.947 4.466 1.00 0.00 C ATOM 125 O HIS A 9 -4.952 15.084 4.920 1.00 0.00 O ATOM 126 CB HIS A 9 -3.631 14.979 2.521 1.00 0.00 C ATOM 127 CG HIS A 9 -4.862 15.553 1.888 1.00 0.00 C ATOM 128 ND1 HIS A 9 -5.795 16.288 2.587 1.00 0.00 N ATOM 129 CD2 HIS A 9 -5.309 15.497 0.611 1.00 0.00 C ATOM 130 CE1 HIS A 9 -6.764 16.659 1.769 1.00 0.00 C ATOM 131 NE2 HIS A 9 -6.492 16.192 0.565 1.00 0.00 N ATOM 0 H HIS A 9 -5.325 12.944 1.951 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.940 13.303 3.673 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -3.205 15.716 3.202 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -2.887 14.794 1.747 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -5.745 16.511 3.581 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.825 14.999 -0.216 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.630 17.244 2.039 1.00 0.00 H new ATOM 140 N ASN A 10 -5.457 12.891 4.959 1.00 0.00 N ATOM 141 CA ASN A 10 -6.374 13.011 6.087 1.00 0.00 C ATOM 142 C ASN A 10 -6.454 11.702 6.866 1.00 0.00 C ATOM 143 O ASN A 10 -6.546 10.624 6.278 1.00 0.00 O ATOM 144 CB ASN A 10 -7.766 13.415 5.598 1.00 0.00 C ATOM 145 CG ASN A 10 -8.437 14.412 6.522 1.00 0.00 C ATOM 146 OD1 ASN A 10 -9.512 14.151 7.061 1.00 0.00 O ATOM 147 ND2 ASN A 10 -7.804 15.564 6.711 1.00 0.00 N ATOM 0 H ASN A 10 -5.357 11.943 4.595 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.992 13.785 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.687 13.846 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.390 12.526 5.513 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.208 16.273 7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -6.914 15.740 6.244 1.00 0.00 H new ATOM 154 N GLY A 11 -6.422 11.805 8.189 1.00 0.00 N ATOM 155 CA GLY A 11 -6.492 10.621 9.027 1.00 0.00 C ATOM 156 C GLY A 11 -7.842 9.936 8.949 1.00 0.00 C ATOM 157 O GLY A 11 -7.941 8.723 9.132 1.00 0.00 O ATOM 0 H GLY A 11 -6.349 12.686 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.714 9.920 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.288 10.899 10.061 1.00 0.00 H new ATOM 161 N TRP A 12 -8.883 10.714 8.678 1.00 0.00 N ATOM 162 CA TRP A 12 -10.234 10.175 8.576 1.00 0.00 C ATOM 163 C TRP A 12 -10.364 9.257 7.366 1.00 0.00 C ATOM 164 O TRP A 12 -11.126 8.290 7.387 1.00 0.00 O ATOM 165 CB TRP A 12 -11.254 11.312 8.481 1.00 0.00 C ATOM 166 CG TRP A 12 -11.261 12.206 9.683 1.00 0.00 C ATOM 167 CD1 TRP A 12 -10.312 13.125 10.027 1.00 0.00 C ATOM 168 CD2 TRP A 12 -12.266 12.266 10.702 1.00 0.00 C ATOM 169 NE1 TRP A 12 -10.665 13.752 11.197 1.00 0.00 N ATOM 170 CE2 TRP A 12 -11.861 13.243 11.631 1.00 0.00 C ATOM 171 CE3 TRP A 12 -13.470 11.589 10.919 1.00 0.00 C ATOM 172 CZ2 TRP A 12 -12.616 13.559 12.758 1.00 0.00 C ATOM 173 CZ3 TRP A 12 -14.219 11.903 12.037 1.00 0.00 C ATOM 174 CH2 TRP A 12 -13.790 12.881 12.944 1.00 0.00 C ATOM 0 H TRP A 12 -8.818 11.720 8.525 1.00 0.00 H new ATOM 0 HA TRP A 12 -10.434 9.591 9.475 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -11.040 11.909 7.594 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -12.249 10.888 8.347 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.415 13.329 9.462 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -10.125 14.479 11.667 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -13.809 10.834 10.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -12.287 14.312 13.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -15.150 11.386 12.215 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -14.399 13.104 13.808 1.00 0.00 H new ATOM 185 N GLN A 13 -9.617 9.566 6.312 1.00 0.00 N ATOM 186 CA GLN A 13 -9.648 8.769 5.091 1.00 0.00 C ATOM 187 C GLN A 13 -8.768 7.532 5.228 1.00 0.00 C ATOM 188 O GLN A 13 -9.096 6.465 4.709 1.00 0.00 O ATOM 189 CB GLN A 13 -9.187 9.608 3.898 1.00 0.00 C ATOM 190 CG GLN A 13 -10.202 10.650 3.458 1.00 0.00 C ATOM 191 CD GLN A 13 -10.975 10.227 2.225 1.00 0.00 C ATOM 192 OE1 GLN A 13 -10.549 9.340 1.484 1.00 0.00 O ATOM 193 NE2 GLN A 13 -12.121 10.860 1.997 1.00 0.00 N ATOM 0 H GLN A 13 -8.982 10.363 6.278 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.675 8.445 4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.254 10.108 4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.973 8.945 3.060 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.901 10.838 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.688 11.590 3.255 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.437 11.589 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.685 10.617 1.182 1.00 0.00 H new ATOM 202 N VAL A 14 -7.649 7.681 5.929 1.00 0.00 N ATOM 203 CA VAL A 14 -6.722 6.576 6.134 1.00 0.00 C ATOM 204 C VAL A 14 -7.358 5.476 6.978 1.00 0.00 C ATOM 205 O VAL A 14 -7.442 4.324 6.553 1.00 0.00 O ATOM 206 CB VAL A 14 -5.424 7.049 6.819 1.00 0.00 C ATOM 207 CG1 VAL A 14 -4.409 5.917 6.884 1.00 0.00 C ATOM 208 CG2 VAL A 14 -4.844 8.254 6.095 1.00 0.00 C ATOM 0 H VAL A 14 -7.363 8.558 6.365 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.479 6.180 5.148 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.664 7.349 7.839 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.500 6.271 7.371 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.826 5.087 7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -4.173 5.582 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.929 8.572 6.594 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.620 7.985 5.063 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.567 9.069 6.109 1.00 0.00 H new ATOM 218 N ASP A 15 -7.803 5.839 8.176 1.00 0.00 N ATOM 219 CA ASP A 15 -8.432 4.883 9.079 1.00 0.00 C ATOM 220 C ASP A 15 -9.684 4.282 8.450 1.00 0.00 C ATOM 221 O ASP A 15 -9.996 3.110 8.662 1.00 0.00 O ATOM 222 CB ASP A 15 -8.788 5.560 10.405 1.00 0.00 C ATOM 223 CG ASP A 15 -7.559 5.996 11.179 1.00 0.00 C ATOM 224 OD1 ASP A 15 -6.483 6.128 10.560 1.00 0.00 O ATOM 225 OD2 ASP A 15 -7.674 6.206 12.405 1.00 0.00 O ATOM 0 H ASP A 15 -7.740 6.788 8.544 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.721 4.079 9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.418 6.428 10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.374 4.872 11.015 1.00 0.00 H new ATOM 230 N GLN A 16 -10.398 5.092 7.676 1.00 0.00 N ATOM 231 CA GLN A 16 -11.617 4.641 7.015 1.00 0.00 C ATOM 232 C GLN A 16 -11.290 3.760 5.813 1.00 0.00 C ATOM 233 O GLN A 16 -12.054 2.859 5.466 1.00 0.00 O ATOM 234 CB GLN A 16 -12.455 5.840 6.569 1.00 0.00 C ATOM 235 CG GLN A 16 -13.203 6.516 7.706 1.00 0.00 C ATOM 236 CD GLN A 16 -14.014 7.711 7.242 1.00 0.00 C ATOM 237 OE1 GLN A 16 -13.479 8.646 6.646 1.00 0.00 O ATOM 238 NE2 GLN A 16 -15.314 7.684 7.512 1.00 0.00 N ATOM 0 H GLN A 16 -10.153 6.065 7.491 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.191 4.052 7.730 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.803 6.570 6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -13.173 5.512 5.817 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.867 5.793 8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -12.490 6.838 8.464 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -15.715 6.888 8.008 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -15.911 8.459 7.223 1.00 0.00 H new ATOM 247 N ALA A 17 -10.151 4.025 5.183 1.00 0.00 N ATOM 248 CA ALA A 17 -9.724 3.255 4.021 1.00 0.00 C ATOM 249 C ALA A 17 -9.338 1.834 4.416 1.00 0.00 C ATOM 250 O ALA A 17 -9.838 0.864 3.847 1.00 0.00 O ATOM 251 CB ALA A 17 -8.559 3.948 3.329 1.00 0.00 C ATOM 0 H ALA A 17 -9.507 4.767 5.457 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.562 3.196 3.327 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.250 3.363 2.463 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.868 4.942 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -7.724 4.037 4.024 1.00 0.00 H new ATOM 257 N ILE A 18 -8.445 1.719 5.394 1.00 0.00 N ATOM 258 CA ILE A 18 -7.994 0.415 5.866 1.00 0.00 C ATOM 259 C ILE A 18 -9.164 -0.408 6.398 1.00 0.00 C ATOM 260 O ILE A 18 -9.205 -1.628 6.231 1.00 0.00 O ATOM 261 CB ILE A 18 -6.926 0.555 6.970 1.00 0.00 C ATOM 262 CG1 ILE A 18 -6.394 -0.821 7.377 1.00 0.00 C ATOM 263 CG2 ILE A 18 -7.500 1.287 8.175 1.00 0.00 C ATOM 264 CD1 ILE A 18 -5.319 -0.761 8.440 1.00 0.00 C ATOM 0 H ILE A 18 -8.020 2.512 5.874 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.552 -0.099 5.012 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.095 1.141 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.222 -1.429 7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.995 -1.323 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.734 1.377 8.945 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.830 2.281 7.873 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.348 0.727 8.571 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -4.988 -1.771 8.680 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.474 -0.181 8.070 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.720 -0.288 9.336 1.00 0.00 H new ATOM 276 N LEU A 19 -10.112 0.267 7.038 1.00 0.00 N ATOM 277 CA LEU A 19 -11.283 -0.400 7.594 1.00 0.00 C ATOM 278 C LEU A 19 -12.354 -0.602 6.526 1.00 0.00 C ATOM 279 O LEU A 19 -13.174 -1.516 6.621 1.00 0.00 O ATOM 280 CB LEU A 19 -11.855 0.414 8.757 1.00 0.00 C ATOM 281 CG LEU A 19 -11.199 0.151 10.114 1.00 0.00 C ATOM 282 CD1 LEU A 19 -11.600 1.223 11.115 1.00 0.00 C ATOM 283 CD2 LEU A 19 -11.577 -1.230 10.629 1.00 0.00 C ATOM 0 H LEU A 19 -10.092 1.276 7.185 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.972 -1.378 7.961 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.757 1.474 8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.921 0.203 8.839 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.117 0.186 9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.125 1.021 12.075 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.280 2.199 10.750 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.683 1.219 11.238 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.102 -1.401 11.595 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.659 -1.293 10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.241 -1.987 9.921 1.00 0.00 H new ATOM 295 N SER A 20 -12.343 0.256 5.509 1.00 0.00 N ATOM 296 CA SER A 20 -13.314 0.170 4.424 1.00 0.00 C ATOM 297 C SER A 20 -13.276 -1.204 3.763 1.00 0.00 C ATOM 298 O SER A 20 -14.292 -1.896 3.689 1.00 0.00 O ATOM 299 CB SER A 20 -13.043 1.256 3.382 1.00 0.00 C ATOM 300 OG SER A 20 -13.735 0.990 2.175 1.00 0.00 O ATOM 0 H SER A 20 -11.672 1.018 5.414 1.00 0.00 H new ATOM 0 HA SER A 20 -14.307 0.321 4.848 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.350 2.225 3.775 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.973 1.316 3.185 1.00 0.00 H new ATOM 0 HG SER A 20 -13.425 1.605 1.478 1.00 0.00 H new ATOM 306 N GLU A 21 -12.099 -1.595 3.286 1.00 0.00 N ATOM 307 CA GLU A 21 -11.932 -2.888 2.632 1.00 0.00 C ATOM 308 C GLU A 21 -11.243 -3.883 3.560 1.00 0.00 C ATOM 309 O GLU A 21 -10.081 -4.236 3.357 1.00 0.00 O ATOM 310 CB GLU A 21 -11.124 -2.733 1.342 1.00 0.00 C ATOM 311 CG GLU A 21 -11.890 -2.047 0.224 1.00 0.00 C ATOM 312 CD GLU A 21 -12.080 -0.563 0.473 1.00 0.00 C ATOM 313 OE1 GLU A 21 -11.313 0.007 1.277 1.00 0.00 O ATOM 314 OE2 GLU A 21 -12.996 0.029 -0.136 1.00 0.00 O ATOM 0 H GLU A 21 -11.248 -1.036 3.340 1.00 0.00 H new ATOM 0 HA GLU A 21 -12.922 -3.272 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.220 -2.162 1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.806 -3.718 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.358 -2.189 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.865 -2.521 0.113 1.00 0.00 H new ATOM 321 N GLU A 22 -11.969 -4.335 4.575 1.00 0.00 N ATOM 322 CA GLU A 22 -11.429 -5.295 5.532 1.00 0.00 C ATOM 323 C GLU A 22 -11.870 -6.711 5.179 1.00 0.00 C ATOM 324 O GLU A 22 -12.049 -7.553 6.060 1.00 0.00 O ATOM 325 CB GLU A 22 -11.880 -4.943 6.950 1.00 0.00 C ATOM 326 CG GLU A 22 -11.242 -5.810 8.023 1.00 0.00 C ATOM 327 CD GLU A 22 -10.321 -5.025 8.938 1.00 0.00 C ATOM 328 OE1 GLU A 22 -9.300 -4.502 8.445 1.00 0.00 O ATOM 329 OE2 GLU A 22 -10.622 -4.934 10.147 1.00 0.00 O ATOM 0 H GLU A 22 -12.932 -4.053 4.757 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.341 -5.249 5.486 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.642 -3.898 7.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.964 -5.040 7.013 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.025 -6.280 8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.678 -6.613 7.548 1.00 0.00 H new ATOM 336 N ASP A 23 -12.048 -6.964 3.887 1.00 0.00 N ATOM 337 CA ASP A 23 -12.474 -8.277 3.416 1.00 0.00 C ATOM 338 C ASP A 23 -11.379 -8.948 2.593 1.00 0.00 C ATOM 339 O ASP A 23 -11.243 -10.172 2.608 1.00 0.00 O ATOM 340 CB ASP A 23 -13.751 -8.154 2.584 1.00 0.00 C ATOM 341 CG ASP A 23 -14.517 -9.459 2.504 1.00 0.00 C ATOM 342 OD1 ASP A 23 -13.884 -10.529 2.632 1.00 0.00 O ATOM 343 OD2 ASP A 23 -15.751 -9.412 2.316 1.00 0.00 O ATOM 0 H ASP A 23 -11.904 -6.277 3.147 1.00 0.00 H new ATOM 0 HA ASP A 23 -12.675 -8.898 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.391 -7.386 3.018 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.495 -7.824 1.577 1.00 0.00 H new ATOM 348 N ARG A 24 -10.604 -8.145 1.871 1.00 0.00 N ATOM 349 CA ARG A 24 -9.527 -8.674 1.041 1.00 0.00 C ATOM 350 C ARG A 24 -8.174 -8.100 1.453 1.00 0.00 C ATOM 351 O ARG A 24 -7.456 -8.703 2.249 1.00 0.00 O ATOM 352 CB ARG A 24 -9.805 -8.394 -0.438 1.00 0.00 C ATOM 353 CG ARG A 24 -10.259 -9.621 -1.211 1.00 0.00 C ATOM 354 CD ARG A 24 -9.080 -10.372 -1.810 1.00 0.00 C ATOM 355 NE ARG A 24 -9.504 -11.342 -2.816 1.00 0.00 N ATOM 356 CZ ARG A 24 -10.132 -12.480 -2.530 1.00 0.00 C ATOM 357 NH1 ARG A 24 -10.411 -12.794 -1.270 1.00 0.00 N ATOM 358 NH2 ARG A 24 -10.484 -13.308 -3.505 1.00 0.00 N ATOM 0 H ARG A 24 -10.701 -7.130 1.844 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.488 -9.753 1.190 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.570 -7.621 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.902 -7.996 -0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.815 -10.284 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.941 -9.319 -2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.388 -9.661 -2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.537 -10.886 -1.017 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.307 -11.135 -3.795 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.144 -12.162 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.893 -13.668 -1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.273 -13.073 -4.475 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.965 -14.180 -3.285 1.00 0.00 H new ATOM 372 N VAL A 25 -7.824 -6.939 0.907 1.00 0.00 N ATOM 373 CA VAL A 25 -6.548 -6.306 1.230 1.00 0.00 C ATOM 374 C VAL A 25 -6.626 -4.786 1.116 1.00 0.00 C ATOM 375 O VAL A 25 -7.588 -4.238 0.578 1.00 0.00 O ATOM 376 CB VAL A 25 -5.409 -6.810 0.316 1.00 0.00 C ATOM 377 CG1 VAL A 25 -4.076 -6.741 1.044 1.00 0.00 C ATOM 378 CG2 VAL A 25 -5.684 -8.226 -0.172 1.00 0.00 C ATOM 0 H VAL A 25 -8.400 -6.420 0.244 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.330 -6.581 2.262 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.361 -6.160 -0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.284 -7.099 0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.871 -5.710 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.116 -7.365 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.866 -8.555 -0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.767 -8.896 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.616 -8.242 -0.736 1.00 0.00 H new ATOM 388 N VAL A 26 -5.594 -4.114 1.624 1.00 0.00 N ATOM 389 CA VAL A 26 -5.509 -2.671 1.589 1.00 0.00 C ATOM 390 C VAL A 26 -4.055 -2.222 1.692 1.00 0.00 C ATOM 391 O VAL A 26 -3.390 -2.478 2.694 1.00 0.00 O ATOM 392 CB VAL A 26 -6.318 -2.010 2.725 1.00 0.00 C ATOM 393 CG1 VAL A 26 -6.651 -0.566 2.379 1.00 0.00 C ATOM 394 CG2 VAL A 26 -7.583 -2.800 3.030 1.00 0.00 C ATOM 0 H VAL A 26 -4.795 -4.565 2.071 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.935 -2.354 0.637 1.00 0.00 H new ATOM 0 HB VAL A 26 -5.700 -2.012 3.623 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.221 -0.119 3.193 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.728 -0.005 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.242 -0.538 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.133 -2.311 3.834 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.208 -2.845 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.315 -3.811 3.336 1.00 0.00 H new ATOM 404 N VAL A 27 -3.560 -1.563 0.648 1.00 0.00 N ATOM 405 CA VAL A 27 -2.175 -1.098 0.631 1.00 0.00 C ATOM 406 C VAL A 27 -2.082 0.420 0.752 1.00 0.00 C ATOM 407 O VAL A 27 -2.956 1.151 0.282 1.00 0.00 O ATOM 408 CB VAL A 27 -1.453 -1.543 -0.655 1.00 0.00 C ATOM 409 CG1 VAL A 27 0.001 -1.095 -0.640 1.00 0.00 C ATOM 410 CG2 VAL A 27 -1.553 -3.050 -0.829 1.00 0.00 C ATOM 0 H VAL A 27 -4.093 -1.340 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.689 -1.549 1.496 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.943 -1.068 -1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.491 -1.420 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.046 -0.008 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.509 -1.535 0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.037 -3.346 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.092 -3.546 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.602 -3.340 -0.894 1.00 0.00 H new ATOM 420 N ILE A 28 -1.006 0.887 1.378 1.00 0.00 N ATOM 421 CA ILE A 28 -0.779 2.315 1.561 1.00 0.00 C ATOM 422 C ILE A 28 0.672 2.672 1.250 1.00 0.00 C ATOM 423 O ILE A 28 1.532 1.794 1.166 1.00 0.00 O ATOM 424 CB ILE A 28 -1.116 2.781 2.998 1.00 0.00 C ATOM 425 CG1 ILE A 28 -1.364 1.582 3.924 1.00 0.00 C ATOM 426 CG2 ILE A 28 -2.323 3.709 2.988 1.00 0.00 C ATOM 427 CD1 ILE A 28 -2.672 0.865 3.657 1.00 0.00 C ATOM 0 H ILE A 28 -0.275 0.293 1.769 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.446 2.829 0.869 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.258 3.331 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.543 0.874 3.814 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.353 1.925 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.546 4.027 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.105 4.583 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.184 3.182 2.576 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.777 0.030 4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.502 1.558 3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.679 0.490 2.633 1.00 0.00 H new ATOM 439 N ARG A 29 0.940 3.962 1.079 1.00 0.00 N ATOM 440 CA ARG A 29 2.290 4.426 0.778 1.00 0.00 C ATOM 441 C ARG A 29 2.592 5.737 1.498 1.00 0.00 C ATOM 442 O ARG A 29 2.236 6.814 1.021 1.00 0.00 O ATOM 443 CB ARG A 29 2.464 4.605 -0.731 1.00 0.00 C ATOM 444 CG ARG A 29 3.737 3.977 -1.276 1.00 0.00 C ATOM 445 CD ARG A 29 4.858 4.998 -1.387 1.00 0.00 C ATOM 446 NE ARG A 29 6.175 4.365 -1.394 1.00 0.00 N ATOM 447 CZ ARG A 29 6.647 3.647 -2.412 1.00 0.00 C ATOM 448 NH1 ARG A 29 5.915 3.472 -3.505 1.00 0.00 N ATOM 449 NH2 ARG A 29 7.854 3.105 -2.336 1.00 0.00 N ATOM 0 H ARG A 29 0.243 4.703 1.143 1.00 0.00 H new ATOM 0 HA ARG A 29 2.993 3.672 1.131 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.606 4.168 -1.242 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.465 5.670 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.050 3.161 -0.624 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.539 3.544 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.730 5.579 -2.300 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.796 5.697 -0.553 1.00 0.00 H new ATOM 0 HE ARG A 29 6.767 4.480 -0.572 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.986 3.888 -3.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.281 2.921 -4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.421 3.238 -1.498 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.216 2.555 -3.115 1.00 0.00 H new ATOM 463 N PHE A 30 3.253 5.638 2.646 1.00 0.00 N ATOM 464 CA PHE A 30 3.606 6.816 3.429 1.00 0.00 C ATOM 465 C PHE A 30 4.724 7.603 2.752 1.00 0.00 C ATOM 466 O PHE A 30 5.794 7.062 2.472 1.00 0.00 O ATOM 467 CB PHE A 30 4.034 6.408 4.840 1.00 0.00 C ATOM 468 CG PHE A 30 2.905 6.394 5.829 1.00 0.00 C ATOM 469 CD1 PHE A 30 2.003 7.445 5.887 1.00 0.00 C ATOM 470 CD2 PHE A 30 2.744 5.330 6.703 1.00 0.00 C ATOM 471 CE1 PHE A 30 0.962 7.434 6.797 1.00 0.00 C ATOM 472 CE2 PHE A 30 1.706 5.314 7.615 1.00 0.00 C ATOM 473 CZ PHE A 30 0.814 6.368 7.662 1.00 0.00 C ATOM 0 H PHE A 30 3.555 4.754 3.055 1.00 0.00 H new ATOM 0 HA PHE A 30 2.725 7.455 3.496 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.485 5.416 4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.804 7.095 5.190 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.115 8.282 5.214 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.438 4.503 6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.265 8.258 6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.592 4.479 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.002 6.358 8.374 1.00 0.00 H new ATOM 483 N GLY A 31 4.468 8.880 2.490 1.00 0.00 N ATOM 484 CA GLY A 31 5.463 9.718 1.847 1.00 0.00 C ATOM 485 C GLY A 31 4.851 10.933 1.177 1.00 0.00 C ATOM 486 O GLY A 31 4.556 11.932 1.834 1.00 0.00 O ATOM 0 H GLY A 31 3.590 9.350 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.193 10.044 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.003 9.131 1.105 1.00 0.00 H new ATOM 490 N HIS A 32 4.662 10.849 -0.136 1.00 0.00 N ATOM 491 CA HIS A 32 4.083 11.949 -0.897 1.00 0.00 C ATOM 492 C HIS A 32 3.910 11.565 -2.363 1.00 0.00 C ATOM 493 O HIS A 32 4.824 11.023 -2.985 1.00 0.00 O ATOM 494 CB HIS A 32 4.963 13.195 -0.785 1.00 0.00 C ATOM 495 CG HIS A 32 4.192 14.478 -0.809 1.00 0.00 C ATOM 496 ND1 HIS A 32 4.485 15.516 -1.668 1.00 0.00 N ATOM 497 CD2 HIS A 32 3.132 14.889 -0.073 1.00 0.00 C ATOM 498 CE1 HIS A 32 3.640 16.510 -1.459 1.00 0.00 C ATOM 499 NE2 HIS A 32 2.808 16.154 -0.497 1.00 0.00 N ATOM 0 H HIS A 32 4.902 10.030 -0.695 1.00 0.00 H new ATOM 0 HA HIS A 32 3.101 12.168 -0.479 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.536 13.143 0.141 1.00 0.00 H new ATOM 0 HB3 HIS A 32 5.681 13.197 -1.605 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.634 14.326 0.703 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.631 17.453 -1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 32 2.048 16.726 -0.129 1.00 0.00 H new ATOM 508 N ASP A 33 2.732 11.849 -2.909 1.00 0.00 N ATOM 509 CA ASP A 33 2.439 11.532 -4.302 1.00 0.00 C ATOM 510 C ASP A 33 3.391 12.268 -5.239 1.00 0.00 C ATOM 511 O ASP A 33 3.763 11.752 -6.294 1.00 0.00 O ATOM 512 CB ASP A 33 0.992 11.897 -4.637 1.00 0.00 C ATOM 513 CG ASP A 33 0.627 13.295 -4.176 1.00 0.00 C ATOM 514 OD1 ASP A 33 0.333 13.465 -2.974 1.00 0.00 O ATOM 515 OD2 ASP A 33 0.636 14.218 -5.017 1.00 0.00 O ATOM 0 H ASP A 33 1.965 12.298 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 33 2.577 10.460 -4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.841 11.821 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.321 11.176 -4.170 1.00 0.00 H new ATOM 520 N TRP A 34 3.783 13.475 -4.848 1.00 0.00 N ATOM 521 CA TRP A 34 4.692 14.284 -5.653 1.00 0.00 C ATOM 522 C TRP A 34 6.029 13.574 -5.844 1.00 0.00 C ATOM 523 O TRP A 34 6.699 13.754 -6.861 1.00 0.00 O ATOM 524 CB TRP A 34 4.915 15.647 -4.996 1.00 0.00 C ATOM 525 CG TRP A 34 5.025 16.770 -5.981 1.00 0.00 C ATOM 526 CD1 TRP A 34 6.074 17.029 -6.816 1.00 0.00 C ATOM 527 CD2 TRP A 34 4.050 17.788 -6.233 1.00 0.00 C ATOM 528 NE1 TRP A 34 5.811 18.145 -7.571 1.00 0.00 N ATOM 529 CE2 TRP A 34 4.574 18.629 -7.233 1.00 0.00 C ATOM 530 CE3 TRP A 34 2.784 18.070 -5.712 1.00 0.00 C ATOM 531 CZ2 TRP A 34 3.877 19.732 -7.721 1.00 0.00 C ATOM 532 CZ3 TRP A 34 2.093 19.165 -6.197 1.00 0.00 C ATOM 533 CH2 TRP A 34 2.640 19.984 -7.192 1.00 0.00 C ATOM 0 H TRP A 34 3.486 13.916 -3.978 1.00 0.00 H new ATOM 0 HA TRP A 34 4.236 14.431 -6.632 1.00 0.00 H new ATOM 0 HB2 TRP A 34 4.091 15.852 -4.313 1.00 0.00 H new ATOM 0 HB3 TRP A 34 5.824 15.609 -4.396 1.00 0.00 H new ATOM 0 HD1 TRP A 34 6.978 16.442 -6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 34 6.435 18.548 -8.270 1.00 0.00 H new ATOM 0 HE3 TRP A 34 2.353 17.444 -4.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 4.297 20.365 -8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.114 19.392 -5.801 1.00 0.00 H new ATOM 0 HH2 TRP A 34 2.074 20.832 -7.549 1.00 0.00 H new ATOM 544 N ASP A 35 6.411 12.767 -4.860 1.00 0.00 N ATOM 545 CA ASP A 35 7.669 12.030 -4.919 1.00 0.00 C ATOM 546 C ASP A 35 7.708 11.114 -6.141 1.00 0.00 C ATOM 547 O ASP A 35 6.672 10.635 -6.601 1.00 0.00 O ATOM 548 CB ASP A 35 7.863 11.209 -3.641 1.00 0.00 C ATOM 549 CG ASP A 35 9.153 11.554 -2.923 1.00 0.00 C ATOM 550 OD1 ASP A 35 9.293 12.713 -2.476 1.00 0.00 O ATOM 551 OD2 ASP A 35 10.024 10.666 -2.806 1.00 0.00 O ATOM 0 H ASP A 35 5.868 12.606 -4.012 1.00 0.00 H new ATOM 0 HA ASP A 35 8.481 12.752 -5.005 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.020 11.380 -2.971 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.862 10.148 -3.890 1.00 0.00 H new ATOM 556 N PRO A 36 8.912 10.859 -6.684 1.00 0.00 N ATOM 557 CA PRO A 36 9.080 9.996 -7.857 1.00 0.00 C ATOM 558 C PRO A 36 8.727 8.542 -7.560 1.00 0.00 C ATOM 559 O PRO A 36 8.101 7.867 -8.376 1.00 0.00 O ATOM 560 CB PRO A 36 10.570 10.127 -8.191 1.00 0.00 C ATOM 561 CG PRO A 36 11.212 10.541 -6.912 1.00 0.00 C ATOM 562 CD PRO A 36 10.198 11.389 -6.197 1.00 0.00 C ATOM 0 HA PRO A 36 8.421 10.289 -8.674 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.979 9.183 -8.551 1.00 0.00 H new ATOM 0 HB3 PRO A 36 10.736 10.866 -8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 36 11.486 9.672 -6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.128 11.102 -7.098 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.287 11.297 -5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.315 12.446 -6.438 1.00 0.00 H new ATOM 570 N THR A 37 9.133 8.068 -6.386 1.00 0.00 N ATOM 571 CA THR A 37 8.863 6.701 -5.979 1.00 0.00 C ATOM 572 C THR A 37 7.367 6.416 -6.011 1.00 0.00 C ATOM 573 O THR A 37 6.935 5.331 -6.404 1.00 0.00 O ATOM 574 CB THR A 37 9.414 6.448 -4.575 1.00 0.00 C ATOM 575 OG1 THR A 37 10.804 6.714 -4.529 1.00 0.00 O ATOM 576 CG2 THR A 37 9.202 5.029 -4.094 1.00 0.00 C ATOM 0 H THR A 37 9.652 8.616 -5.700 1.00 0.00 H new ATOM 0 HA THR A 37 9.359 6.031 -6.681 1.00 0.00 H new ATOM 0 HB THR A 37 8.860 7.121 -3.921 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.133 6.580 -3.615 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.616 4.919 -3.092 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.135 4.808 -4.072 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.702 4.337 -4.771 1.00 0.00 H new ATOM 584 N CYS A 38 6.582 7.403 -5.597 1.00 0.00 N ATOM 585 CA CYS A 38 5.130 7.271 -5.578 1.00 0.00 C ATOM 586 C CYS A 38 4.572 7.254 -6.997 1.00 0.00 C ATOM 587 O CYS A 38 3.551 6.621 -7.267 1.00 0.00 O ATOM 588 CB CYS A 38 4.503 8.417 -4.783 1.00 0.00 C ATOM 589 SG CYS A 38 4.425 8.123 -3.001 1.00 0.00 S ATOM 0 H CYS A 38 6.927 8.305 -5.269 1.00 0.00 H new ATOM 0 HA CYS A 38 4.879 6.326 -5.095 1.00 0.00 H new ATOM 0 HB2 CYS A 38 5.075 9.327 -4.966 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.494 8.594 -5.156 1.00 0.00 H new ATOM 0 HG CYS A 38 5.516 8.556 -2.442 1.00 0.00 H new ATOM 595 N MET A 39 5.251 7.954 -7.901 1.00 0.00 N ATOM 596 CA MET A 39 4.826 8.019 -9.293 1.00 0.00 C ATOM 597 C MET A 39 5.000 6.669 -9.979 1.00 0.00 C ATOM 598 O MET A 39 4.161 6.255 -10.779 1.00 0.00 O ATOM 599 CB MET A 39 5.620 9.091 -10.042 1.00 0.00 C ATOM 600 CG MET A 39 5.250 10.511 -9.645 1.00 0.00 C ATOM 601 SD MET A 39 6.043 11.752 -10.686 1.00 0.00 S ATOM 602 CE MET A 39 5.232 11.448 -12.253 1.00 0.00 C ATOM 0 H MET A 39 6.098 8.484 -7.693 1.00 0.00 H new ATOM 0 HA MET A 39 3.768 8.282 -9.311 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.684 8.937 -9.860 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.459 8.968 -11.113 1.00 0.00 H new ATOM 0 HG2 MET A 39 4.168 10.630 -9.704 1.00 0.00 H new ATOM 0 HG3 MET A 39 5.533 10.679 -8.606 1.00 0.00 H new ATOM 0 HE1 MET A 39 5.318 12.332 -12.885 1.00 0.00 H new ATOM 0 HE2 MET A 39 5.705 10.600 -12.749 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.179 11.226 -12.081 1.00 0.00 H new ATOM 612 N LYS A 40 6.093 5.984 -9.660 1.00 0.00 N ATOM 613 CA LYS A 40 6.374 4.678 -10.247 1.00 0.00 C ATOM 614 C LYS A 40 5.333 3.653 -9.812 1.00 0.00 C ATOM 615 O LYS A 40 4.777 2.928 -10.637 1.00 0.00 O ATOM 616 CB LYS A 40 7.773 4.205 -9.847 1.00 0.00 C ATOM 617 CG LYS A 40 8.499 3.453 -10.950 1.00 0.00 C ATOM 618 CD LYS A 40 9.994 3.730 -10.921 1.00 0.00 C ATOM 619 CE LYS A 40 10.314 5.113 -11.463 1.00 0.00 C ATOM 620 NZ LYS A 40 11.727 5.500 -11.197 1.00 0.00 N ATOM 0 H LYS A 40 6.798 6.310 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 40 6.330 4.777 -11.332 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.370 5.069 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.693 3.561 -8.971 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.324 2.383 -10.839 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.093 3.744 -11.919 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.361 3.645 -9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.516 2.977 -11.511 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.128 5.134 -12.537 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.646 5.845 -11.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.905 6.449 -11.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.898 5.505 -10.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.366 4.817 -11.652 1.00 0.00 H new ATOM 634 N MET A 41 5.070 3.600 -8.512 1.00 0.00 N ATOM 635 CA MET A 41 4.090 2.665 -7.971 1.00 0.00 C ATOM 636 C MET A 41 2.680 3.056 -8.395 1.00 0.00 C ATOM 637 O MET A 41 1.825 2.200 -8.617 1.00 0.00 O ATOM 638 CB MET A 41 4.182 2.622 -6.446 1.00 0.00 C ATOM 639 CG MET A 41 3.258 1.597 -5.809 1.00 0.00 C ATOM 640 SD MET A 41 3.398 1.556 -4.012 1.00 0.00 S ATOM 641 CE MET A 41 1.879 0.715 -3.573 1.00 0.00 C ATOM 0 H MET A 41 5.520 4.192 -7.814 1.00 0.00 H new ATOM 0 HA MET A 41 4.310 1.674 -8.368 1.00 0.00 H new ATOM 0 HB2 MET A 41 5.210 2.400 -6.159 1.00 0.00 H new ATOM 0 HB3 MET A 41 3.945 3.609 -6.048 1.00 0.00 H new ATOM 0 HG2 MET A 41 2.228 1.822 -6.084 1.00 0.00 H new ATOM 0 HG3 MET A 41 3.486 0.609 -6.210 1.00 0.00 H new ATOM 0 HE1 MET A 41 1.268 1.369 -2.951 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.330 0.459 -4.479 1.00 0.00 H new ATOM 0 HE3 MET A 41 2.114 -0.195 -3.022 1.00 0.00 H new ATOM 651 N ASP A 42 2.445 4.359 -8.501 1.00 0.00 N ATOM 652 CA ASP A 42 1.137 4.873 -8.894 1.00 0.00 C ATOM 653 C ASP A 42 0.901 4.698 -10.392 1.00 0.00 C ATOM 654 O ASP A 42 -0.164 4.242 -10.812 1.00 0.00 O ATOM 655 CB ASP A 42 1.014 6.350 -8.517 1.00 0.00 C ATOM 656 CG ASP A 42 -0.405 6.867 -8.662 1.00 0.00 C ATOM 657 OD1 ASP A 42 -1.187 6.250 -9.414 1.00 0.00 O ATOM 658 OD2 ASP A 42 -0.731 7.890 -8.023 1.00 0.00 O ATOM 0 H ASP A 42 3.144 5.080 -8.320 1.00 0.00 H new ATOM 0 HA ASP A 42 0.378 4.301 -8.360 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.345 6.488 -7.488 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.679 6.940 -9.148 1.00 0.00 H new ATOM 663 N GLU A 43 1.898 5.062 -11.197 1.00 0.00 N ATOM 664 CA GLU A 43 1.787 4.943 -12.649 1.00 0.00 C ATOM 665 C GLU A 43 1.438 3.513 -13.047 1.00 0.00 C ATOM 666 O GLU A 43 0.746 3.283 -14.038 1.00 0.00 O ATOM 667 CB GLU A 43 3.091 5.384 -13.325 1.00 0.00 C ATOM 668 CG GLU A 43 4.218 4.366 -13.233 1.00 0.00 C ATOM 669 CD GLU A 43 4.522 3.707 -14.564 1.00 0.00 C ATOM 670 OE1 GLU A 43 4.580 4.427 -15.583 1.00 0.00 O ATOM 671 OE2 GLU A 43 4.701 2.472 -14.587 1.00 0.00 O ATOM 0 H GLU A 43 2.787 5.440 -10.870 1.00 0.00 H new ATOM 0 HA GLU A 43 0.984 5.598 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.890 5.592 -14.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.423 6.319 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.117 4.858 -12.862 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.951 3.600 -12.505 1.00 0.00 H new ATOM 678 N VAL A 44 1.918 2.560 -12.258 1.00 0.00 N ATOM 679 CA VAL A 44 1.652 1.151 -12.516 1.00 0.00 C ATOM 680 C VAL A 44 0.349 0.719 -11.852 1.00 0.00 C ATOM 681 O VAL A 44 -0.438 -0.026 -12.434 1.00 0.00 O ATOM 682 CB VAL A 44 2.810 0.259 -12.018 1.00 0.00 C ATOM 683 CG1 VAL A 44 2.934 0.324 -10.503 1.00 0.00 C ATOM 684 CG2 VAL A 44 2.621 -1.177 -12.489 1.00 0.00 C ATOM 0 H VAL A 44 2.493 2.737 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 44 1.562 1.028 -13.595 1.00 0.00 H new ATOM 0 HB VAL A 44 3.739 0.637 -12.445 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.757 -0.313 -10.178 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.128 1.352 -10.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.006 -0.021 -10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.447 -1.790 -12.128 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.681 -1.567 -12.098 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.599 -1.203 -13.578 1.00 0.00 H new ATOM 694 N LEU A 45 0.127 1.205 -10.632 1.00 0.00 N ATOM 695 CA LEU A 45 -1.082 0.885 -9.875 1.00 0.00 C ATOM 696 C LEU A 45 -2.329 0.992 -10.750 1.00 0.00 C ATOM 697 O LEU A 45 -3.318 0.294 -10.526 1.00 0.00 O ATOM 698 CB LEU A 45 -1.212 1.821 -8.672 1.00 0.00 C ATOM 699 CG LEU A 45 -0.599 1.296 -7.373 1.00 0.00 C ATOM 700 CD1 LEU A 45 -0.439 2.423 -6.364 1.00 0.00 C ATOM 701 CD2 LEU A 45 -1.453 0.177 -6.797 1.00 0.00 C ATOM 0 H LEU A 45 0.773 1.826 -10.144 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.997 -0.144 -9.527 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.741 2.773 -8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.269 2.023 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 45 0.390 0.894 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.001 2.030 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.214 3.192 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.415 2.856 -6.144 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.003 -0.185 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.455 0.554 -6.589 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.515 -0.640 -7.515 1.00 0.00 H new ATOM 713 N TYR A 46 -2.275 1.873 -11.742 1.00 0.00 N ATOM 714 CA TYR A 46 -3.400 2.077 -12.646 1.00 0.00 C ATOM 715 C TYR A 46 -3.653 0.846 -13.509 1.00 0.00 C ATOM 716 O TYR A 46 -4.717 0.232 -13.440 1.00 0.00 O ATOM 717 CB TYR A 46 -3.146 3.293 -13.539 1.00 0.00 C ATOM 718 CG TYR A 46 -4.405 4.035 -13.930 1.00 0.00 C ATOM 719 CD1 TYR A 46 -5.558 3.348 -14.286 1.00 0.00 C ATOM 720 CD2 TYR A 46 -4.438 5.424 -13.943 1.00 0.00 C ATOM 721 CE1 TYR A 46 -6.709 4.024 -14.645 1.00 0.00 C ATOM 722 CE2 TYR A 46 -5.585 6.107 -14.299 1.00 0.00 C ATOM 723 CZ TYR A 46 -6.718 5.402 -14.650 1.00 0.00 C ATOM 724 OH TYR A 46 -7.862 6.078 -15.006 1.00 0.00 O ATOM 0 H TYR A 46 -1.463 2.458 -11.941 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.287 2.252 -12.037 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -2.477 3.980 -13.021 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.631 2.967 -14.443 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.555 2.268 -14.282 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.552 5.979 -13.670 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -7.597 3.475 -14.920 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.595 7.187 -14.303 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.700 7.043 -14.956 1.00 0.00 H new ATOM 734 N SER A 47 -2.672 0.507 -14.330 1.00 0.00 N ATOM 735 CA SER A 47 -2.781 -0.640 -15.229 1.00 0.00 C ATOM 736 C SER A 47 -2.269 -1.928 -14.584 1.00 0.00 C ATOM 737 O SER A 47 -1.865 -2.857 -15.284 1.00 0.00 O ATOM 738 CB SER A 47 -2.011 -0.368 -16.522 1.00 0.00 C ATOM 739 OG SER A 47 -2.647 -0.977 -17.632 1.00 0.00 O ATOM 0 H SER A 47 -1.787 1.009 -14.395 1.00 0.00 H new ATOM 0 HA SER A 47 -3.839 -0.779 -15.451 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.937 0.707 -16.686 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.993 -0.747 -16.429 1.00 0.00 H new ATOM 0 HG SER A 47 -2.136 -0.787 -18.446 1.00 0.00 H new ATOM 745 N ILE A 48 -2.285 -1.989 -13.256 1.00 0.00 N ATOM 746 CA ILE A 48 -1.819 -3.179 -12.551 1.00 0.00 C ATOM 747 C ILE A 48 -2.678 -3.484 -11.321 1.00 0.00 C ATOM 748 O ILE A 48 -2.924 -4.645 -10.999 1.00 0.00 O ATOM 749 CB ILE A 48 -0.333 -3.046 -12.137 1.00 0.00 C ATOM 750 CG1 ILE A 48 0.287 -4.428 -11.911 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.181 -2.176 -10.896 1.00 0.00 C ATOM 752 CD1 ILE A 48 -0.275 -5.161 -10.712 1.00 0.00 C ATOM 0 H ILE A 48 -2.612 -1.236 -12.651 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.913 -4.012 -13.248 1.00 0.00 H new ATOM 0 HB ILE A 48 0.201 -2.557 -12.952 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.132 -5.036 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.364 -4.317 -11.785 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.874 -2.102 -10.631 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.575 -1.180 -11.099 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.733 -2.622 -10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.213 -6.131 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.096 -4.575 -9.811 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.347 -5.305 -10.844 1.00 0.00 H new ATOM 764 N ALA A 49 -3.133 -2.437 -10.637 1.00 0.00 N ATOM 765 CA ALA A 49 -3.962 -2.607 -9.448 1.00 0.00 C ATOM 766 C ALA A 49 -5.441 -2.679 -9.811 1.00 0.00 C ATOM 767 O ALA A 49 -6.206 -3.420 -9.194 1.00 0.00 O ATOM 768 CB ALA A 49 -3.713 -1.472 -8.466 1.00 0.00 C ATOM 0 H ALA A 49 -2.942 -1.466 -10.885 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.686 -3.550 -8.977 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.338 -1.611 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.664 -1.470 -8.171 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.959 -0.521 -8.939 1.00 0.00 H new ATOM 774 N GLU A 50 -5.838 -1.901 -10.814 1.00 0.00 N ATOM 775 CA GLU A 50 -7.225 -1.870 -11.262 1.00 0.00 C ATOM 776 C GLU A 50 -7.776 -3.280 -11.472 1.00 0.00 C ATOM 777 O GLU A 50 -8.982 -3.507 -11.359 1.00 0.00 O ATOM 778 CB GLU A 50 -7.344 -1.068 -12.560 1.00 0.00 C ATOM 779 CG GLU A 50 -8.759 -0.600 -12.859 1.00 0.00 C ATOM 780 CD GLU A 50 -9.069 -0.595 -14.342 1.00 0.00 C ATOM 781 OE1 GLU A 50 -8.124 -0.451 -15.146 1.00 0.00 O ATOM 782 OE2 GLU A 50 -10.258 -0.736 -14.701 1.00 0.00 O ATOM 0 H GLU A 50 -5.215 -1.282 -11.333 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.815 -1.388 -10.483 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.688 -0.200 -12.502 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.990 -1.680 -13.389 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.469 -1.249 -12.345 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.898 0.404 -12.459 1.00 0.00 H new ATOM 789 N LYS A 51 -6.889 -4.220 -11.780 1.00 0.00 N ATOM 790 CA LYS A 51 -7.286 -5.606 -12.009 1.00 0.00 C ATOM 791 C LYS A 51 -8.100 -6.150 -10.837 1.00 0.00 C ATOM 792 O LYS A 51 -9.063 -6.892 -11.030 1.00 0.00 O ATOM 793 CB LYS A 51 -6.051 -6.480 -12.233 1.00 0.00 C ATOM 794 CG LYS A 51 -5.605 -6.540 -13.685 1.00 0.00 C ATOM 795 CD LYS A 51 -4.982 -7.886 -14.022 1.00 0.00 C ATOM 796 CE LYS A 51 -5.370 -8.346 -15.417 1.00 0.00 C ATOM 797 NZ LYS A 51 -4.804 -7.460 -16.472 1.00 0.00 N ATOM 0 H LYS A 51 -5.888 -4.048 -11.877 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.912 -5.631 -12.901 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.231 -6.099 -11.625 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.263 -7.491 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.460 -6.360 -14.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.884 -5.746 -13.878 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.897 -7.814 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.301 -8.629 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.019 -9.366 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.456 -8.365 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.078 -7.818 -17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.172 -6.495 -16.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.767 -7.448 -16.395 1.00 0.00 H new ATOM 811 N VAL A 52 -7.706 -5.779 -9.622 1.00 0.00 N ATOM 812 CA VAL A 52 -8.403 -6.235 -8.424 1.00 0.00 C ATOM 813 C VAL A 52 -8.623 -5.092 -7.438 1.00 0.00 C ATOM 814 O VAL A 52 -8.765 -5.317 -6.236 1.00 0.00 O ATOM 815 CB VAL A 52 -7.625 -7.361 -7.717 1.00 0.00 C ATOM 816 CG1 VAL A 52 -7.762 -8.667 -8.484 1.00 0.00 C ATOM 817 CG2 VAL A 52 -6.161 -6.979 -7.556 1.00 0.00 C ATOM 0 H VAL A 52 -6.911 -5.166 -9.442 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.370 -6.617 -8.752 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.050 -7.504 -6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.206 -9.451 -7.970 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.814 -8.946 -8.542 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.364 -8.541 -9.491 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.627 -7.786 -7.055 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.720 -6.807 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.086 -6.069 -6.960 1.00 0.00 H new ATOM 827 N LYS A 53 -8.650 -3.864 -7.951 1.00 0.00 N ATOM 828 CA LYS A 53 -8.850 -2.689 -7.117 1.00 0.00 C ATOM 829 C LYS A 53 -10.084 -2.841 -6.229 1.00 0.00 C ATOM 830 O LYS A 53 -10.152 -2.270 -5.141 1.00 0.00 O ATOM 831 CB LYS A 53 -8.986 -1.439 -7.989 1.00 0.00 C ATOM 832 CG LYS A 53 -7.698 -0.640 -8.113 1.00 0.00 C ATOM 833 CD LYS A 53 -7.496 0.279 -6.919 1.00 0.00 C ATOM 834 CE LYS A 53 -8.577 1.345 -6.850 1.00 0.00 C ATOM 835 NZ LYS A 53 -8.202 2.458 -5.934 1.00 0.00 N ATOM 0 H LYS A 53 -8.535 -3.660 -8.944 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.978 -2.585 -6.471 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.317 -1.735 -8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.763 -0.798 -7.572 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.852 -1.322 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.722 -0.049 -9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.503 -0.308 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.518 0.755 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.759 1.742 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.510 0.895 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.013 2.698 -5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.401 2.163 -5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.929 3.291 -6.494 1.00 0.00 H new ATOM 849 N ASN A 54 -11.059 -3.611 -6.704 1.00 0.00 N ATOM 850 CA ASN A 54 -12.291 -3.835 -5.956 1.00 0.00 C ATOM 851 C ASN A 54 -12.029 -4.661 -4.699 1.00 0.00 C ATOM 852 O ASN A 54 -12.650 -4.439 -3.660 1.00 0.00 O ATOM 853 CB ASN A 54 -13.324 -4.540 -6.835 1.00 0.00 C ATOM 854 CG ASN A 54 -14.176 -3.564 -7.623 1.00 0.00 C ATOM 855 OD1 ASN A 54 -13.766 -2.432 -7.880 1.00 0.00 O ATOM 856 ND2 ASN A 54 -15.369 -3.998 -8.011 1.00 0.00 N ATOM 0 H ASN A 54 -11.019 -4.090 -7.604 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.681 -2.863 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.812 -5.211 -7.525 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.968 -5.158 -6.209 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.986 -3.385 -8.544 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -15.669 -4.944 -7.776 1.00 0.00 H new ATOM 863 N PHE A 55 -11.109 -5.613 -4.802 1.00 0.00 N ATOM 864 CA PHE A 55 -10.769 -6.472 -3.673 1.00 0.00 C ATOM 865 C PHE A 55 -9.694 -5.826 -2.805 1.00 0.00 C ATOM 866 O PHE A 55 -9.741 -5.901 -1.578 1.00 0.00 O ATOM 867 CB PHE A 55 -10.294 -7.837 -4.171 1.00 0.00 C ATOM 868 CG PHE A 55 -11.403 -8.696 -4.709 1.00 0.00 C ATOM 869 CD1 PHE A 55 -12.496 -9.015 -3.920 1.00 0.00 C ATOM 870 CD2 PHE A 55 -11.353 -9.183 -6.006 1.00 0.00 C ATOM 871 CE1 PHE A 55 -13.518 -9.804 -4.412 1.00 0.00 C ATOM 872 CE2 PHE A 55 -12.373 -9.972 -6.504 1.00 0.00 C ATOM 873 CZ PHE A 55 -13.456 -10.284 -5.706 1.00 0.00 C ATOM 0 H PHE A 55 -10.585 -5.810 -5.655 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.664 -6.609 -3.066 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.547 -7.691 -4.951 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.802 -8.363 -3.353 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -12.550 -8.642 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.508 -8.943 -6.634 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -14.364 -10.045 -3.786 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -12.323 -10.344 -7.517 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.253 -10.902 -6.093 1.00 0.00 H new ATOM 883 N ALA A 56 -8.731 -5.187 -3.455 1.00 0.00 N ATOM 884 CA ALA A 56 -7.646 -4.519 -2.751 1.00 0.00 C ATOM 885 C ALA A 56 -7.662 -3.022 -3.037 1.00 0.00 C ATOM 886 O ALA A 56 -7.879 -2.602 -4.174 1.00 0.00 O ATOM 887 CB ALA A 56 -6.306 -5.122 -3.147 1.00 0.00 C ATOM 0 H ALA A 56 -8.679 -5.117 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.789 -4.665 -1.680 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.505 -4.612 -2.612 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.295 -6.182 -2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.157 -5.005 -4.220 1.00 0.00 H new ATOM 893 N VAL A 57 -7.437 -2.217 -2.003 1.00 0.00 N ATOM 894 CA VAL A 57 -7.434 -0.767 -2.160 1.00 0.00 C ATOM 895 C VAL A 57 -6.066 -0.182 -1.836 1.00 0.00 C ATOM 896 O VAL A 57 -5.665 -0.116 -0.676 1.00 0.00 O ATOM 897 CB VAL A 57 -8.497 -0.091 -1.268 1.00 0.00 C ATOM 898 CG1 VAL A 57 -9.793 0.102 -2.039 1.00 0.00 C ATOM 899 CG2 VAL A 57 -8.737 -0.898 -0.001 1.00 0.00 C ATOM 0 H VAL A 57 -7.255 -2.542 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.675 -0.567 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.122 0.890 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.532 0.580 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.608 0.732 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -10.170 -0.867 -2.366 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.490 -0.400 0.610 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.086 -1.896 -0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.807 -0.977 0.562 1.00 0.00 H new ATOM 909 N ILE A 58 -5.357 0.245 -2.874 1.00 0.00 N ATOM 910 CA ILE A 58 -4.034 0.829 -2.702 1.00 0.00 C ATOM 911 C ILE A 58 -4.080 2.342 -2.870 1.00 0.00 C ATOM 912 O ILE A 58 -4.959 2.872 -3.549 1.00 0.00 O ATOM 913 CB ILE A 58 -3.018 0.249 -3.705 1.00 0.00 C ATOM 914 CG1 ILE A 58 -3.197 -1.267 -3.833 1.00 0.00 C ATOM 915 CG2 ILE A 58 -1.600 0.596 -3.271 1.00 0.00 C ATOM 916 CD1 ILE A 58 -2.206 -1.919 -4.773 1.00 0.00 C ATOM 0 H ILE A 58 -5.676 0.198 -3.842 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.713 0.580 -1.691 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.196 0.692 -4.685 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.101 -1.720 -2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -4.208 -1.476 -4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.889 0.182 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.486 1.679 -3.232 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.408 0.175 -2.284 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.394 -2.992 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.317 -1.494 -5.771 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.192 -1.741 -4.414 1.00 0.00 H new ATOM 928 N TYR A 59 -3.126 3.032 -2.257 1.00 0.00 N ATOM 929 CA TYR A 59 -3.055 4.479 -2.349 1.00 0.00 C ATOM 930 C TYR A 59 -1.873 5.023 -1.555 1.00 0.00 C ATOM 931 O TYR A 59 -1.233 4.297 -0.797 1.00 0.00 O ATOM 932 CB TYR A 59 -4.357 5.116 -1.856 1.00 0.00 C ATOM 933 CG TYR A 59 -4.756 4.684 -0.462 1.00 0.00 C ATOM 934 CD1 TYR A 59 -5.479 3.514 -0.258 1.00 0.00 C ATOM 935 CD2 TYR A 59 -4.411 5.445 0.646 1.00 0.00 C ATOM 936 CE1 TYR A 59 -5.846 3.117 1.014 1.00 0.00 C ATOM 937 CE2 TYR A 59 -4.775 5.053 1.922 1.00 0.00 C ATOM 938 CZ TYR A 59 -5.492 3.890 2.099 1.00 0.00 C ATOM 939 OH TYR A 59 -5.855 3.496 3.367 1.00 0.00 O ATOM 0 H TYR A 59 -2.391 2.609 -1.691 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.912 4.738 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.250 6.201 -1.874 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.160 4.863 -2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -5.758 2.906 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.850 6.358 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -6.407 2.206 1.157 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.499 5.655 2.775 1.00 0.00 H new ATOM 0 HH TYR A 59 -5.656 4.215 4.002 1.00 0.00 H new ATOM 949 N LEU A 60 -1.592 6.307 -1.740 1.00 0.00 N ATOM 950 CA LEU A 60 -0.487 6.956 -1.043 1.00 0.00 C ATOM 951 C LEU A 60 -0.996 7.754 0.153 1.00 0.00 C ATOM 952 O LEU A 60 -2.200 7.949 0.314 1.00 0.00 O ATOM 953 CB LEU A 60 0.282 7.876 -1.997 1.00 0.00 C ATOM 954 CG LEU A 60 0.613 7.276 -3.368 1.00 0.00 C ATOM 955 CD1 LEU A 60 1.208 5.883 -3.223 1.00 0.00 C ATOM 956 CD2 LEU A 60 -0.628 7.238 -4.248 1.00 0.00 C ATOM 0 H LEU A 60 -2.114 6.920 -2.367 1.00 0.00 H new ATOM 0 HA LEU A 60 0.187 6.180 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.302 8.784 -2.148 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.214 8.173 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 60 1.357 7.914 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.434 5.479 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.124 5.938 -2.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.493 5.232 -2.720 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.374 6.809 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.394 6.627 -3.770 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.006 8.251 -4.387 1.00 0.00 H new ATOM 968 N VAL A 61 -0.071 8.213 0.988 1.00 0.00 N ATOM 969 CA VAL A 61 -0.425 8.989 2.170 1.00 0.00 C ATOM 970 C VAL A 61 0.703 9.937 2.563 1.00 0.00 C ATOM 971 O VAL A 61 1.879 9.634 2.360 1.00 0.00 O ATOM 972 CB VAL A 61 -0.753 8.076 3.366 1.00 0.00 C ATOM 973 CG1 VAL A 61 -1.313 8.890 4.523 1.00 0.00 C ATOM 974 CG2 VAL A 61 -1.726 6.982 2.953 1.00 0.00 C ATOM 0 H VAL A 61 0.930 8.061 0.868 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.311 9.569 1.913 1.00 0.00 H new ATOM 0 HB VAL A 61 0.170 7.601 3.700 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.539 8.227 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.578 9.631 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.225 9.396 4.205 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.946 6.347 3.811 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.649 7.434 2.590 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.281 6.380 2.161 1.00 0.00 H new ATOM 984 N ASP A 62 0.338 11.084 3.125 1.00 0.00 N ATOM 985 CA ASP A 62 1.322 12.074 3.546 1.00 0.00 C ATOM 986 C ASP A 62 1.774 11.817 4.979 1.00 0.00 C ATOM 987 O ASP A 62 1.043 12.098 5.931 1.00 0.00 O ATOM 988 CB ASP A 62 0.740 13.484 3.427 1.00 0.00 C ATOM 989 CG ASP A 62 1.788 14.512 3.050 1.00 0.00 C ATOM 990 OD1 ASP A 62 2.961 14.334 3.439 1.00 0.00 O ATOM 991 OD2 ASP A 62 1.436 15.495 2.366 1.00 0.00 O ATOM 0 H ASP A 62 -0.631 11.351 3.299 1.00 0.00 H new ATOM 0 HA ASP A 62 2.189 11.990 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -0.052 13.485 2.678 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.283 13.766 4.375 1.00 0.00 H new ATOM 996 N ILE A 63 2.983 11.285 5.127 1.00 0.00 N ATOM 997 CA ILE A 63 3.535 10.992 6.445 1.00 0.00 C ATOM 998 C ILE A 63 4.133 12.246 7.077 1.00 0.00 C ATOM 999 O ILE A 63 5.308 12.272 7.446 1.00 0.00 O ATOM 1000 CB ILE A 63 4.613 9.891 6.370 1.00 0.00 C ATOM 1001 CG1 ILE A 63 5.120 9.542 7.772 1.00 0.00 C ATOM 1002 CG2 ILE A 63 5.763 10.332 5.476 1.00 0.00 C ATOM 1003 CD1 ILE A 63 5.352 8.061 7.979 1.00 0.00 C ATOM 0 H ILE A 63 3.600 11.048 4.350 1.00 0.00 H new ATOM 0 HA ILE A 63 2.713 10.636 7.066 1.00 0.00 H new ATOM 0 HB ILE A 63 4.166 8.997 5.936 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.052 10.077 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 63 4.399 9.895 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.514 9.544 5.434 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.388 10.529 4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.211 11.239 5.881 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.710 7.887 8.994 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.417 7.522 7.827 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.096 7.706 7.266 1.00 0.00 H new ATOM 1015 N THR A 64 3.314 13.284 7.199 1.00 0.00 N ATOM 1016 CA THR A 64 3.751 14.546 7.784 1.00 0.00 C ATOM 1017 C THR A 64 2.549 15.417 8.135 1.00 0.00 C ATOM 1018 O THR A 64 2.498 16.024 9.205 1.00 0.00 O ATOM 1019 CB THR A 64 4.672 15.292 6.817 1.00 0.00 C ATOM 1020 OG1 THR A 64 5.555 14.395 6.170 1.00 0.00 O ATOM 1021 CG2 THR A 64 5.512 16.357 7.491 1.00 0.00 C ATOM 0 H THR A 64 2.339 13.276 6.899 1.00 0.00 H new ATOM 0 HA THR A 64 4.303 14.326 8.698 1.00 0.00 H new ATOM 0 HB THR A 64 4.007 15.775 6.101 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.978 13.815 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.142 16.847 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.859 17.095 7.957 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.141 15.896 8.253 1.00 0.00 H new ATOM 1029 N GLU A 65 1.581 15.470 7.224 1.00 0.00 N ATOM 1030 CA GLU A 65 0.376 16.261 7.432 1.00 0.00 C ATOM 1031 C GLU A 65 -0.701 15.434 8.127 1.00 0.00 C ATOM 1032 O GLU A 65 -1.449 15.945 8.960 1.00 0.00 O ATOM 1033 CB GLU A 65 -0.151 16.786 6.095 1.00 0.00 C ATOM 1034 CG GLU A 65 -1.357 17.701 6.234 1.00 0.00 C ATOM 1035 CD GLU A 65 -0.986 19.169 6.162 1.00 0.00 C ATOM 1036 OE1 GLU A 65 -0.570 19.727 7.199 1.00 0.00 O ATOM 1037 OE2 GLU A 65 -1.111 19.760 5.069 1.00 0.00 O ATOM 0 H GLU A 65 1.610 14.973 6.334 1.00 0.00 H new ATOM 0 HA GLU A 65 0.630 17.107 8.071 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.647 17.326 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.418 15.940 5.462 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.075 17.472 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.852 17.501 7.184 1.00 0.00 H new ATOM 1044 N VAL A 66 -0.774 14.154 7.775 1.00 0.00 N ATOM 1045 CA VAL A 66 -1.761 13.256 8.363 1.00 0.00 C ATOM 1046 C VAL A 66 -1.344 12.798 9.762 1.00 0.00 C ATOM 1047 O VAL A 66 -2.146 12.841 10.695 1.00 0.00 O ATOM 1048 CB VAL A 66 -1.999 12.018 7.477 1.00 0.00 C ATOM 1049 CG1 VAL A 66 -3.166 11.199 8.006 1.00 0.00 C ATOM 1050 CG2 VAL A 66 -2.241 12.434 6.034 1.00 0.00 C ATOM 0 H VAL A 66 -0.162 13.716 7.086 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.688 13.824 8.437 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.105 11.395 7.507 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.319 10.329 7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.948 10.870 9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.068 11.811 8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.407 11.547 5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.118 13.079 5.984 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.371 12.974 5.660 1.00 0.00 H new ATOM 1060 N PRO A 67 -0.087 12.346 9.935 1.00 0.00 N ATOM 1061 CA PRO A 67 0.405 11.881 11.234 1.00 0.00 C ATOM 1062 C PRO A 67 0.770 13.032 12.165 1.00 0.00 C ATOM 1063 O PRO A 67 1.486 13.955 11.777 1.00 0.00 O ATOM 1064 CB PRO A 67 1.649 11.078 10.862 1.00 0.00 C ATOM 1065 CG PRO A 67 2.160 11.732 9.627 1.00 0.00 C ATOM 1066 CD PRO A 67 0.952 12.248 8.888 1.00 0.00 C ATOM 0 HA PRO A 67 -0.347 11.309 11.778 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.391 11.103 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 67 1.407 10.030 10.685 1.00 0.00 H new ATOM 0 HG2 PRO A 67 2.842 12.546 9.872 1.00 0.00 H new ATOM 0 HG3 PRO A 67 2.717 11.023 9.014 1.00 0.00 H new ATOM 0 HD2 PRO A 67 1.148 13.216 8.427 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.652 11.570 8.089 1.00 0.00 H new ATOM 1074 N ASP A 68 0.271 12.970 13.395 1.00 0.00 N ATOM 1075 CA ASP A 68 0.546 14.007 14.385 1.00 0.00 C ATOM 1076 C ASP A 68 1.836 13.708 15.141 1.00 0.00 C ATOM 1077 O ASP A 68 2.751 14.531 15.176 1.00 0.00 O ATOM 1078 CB ASP A 68 -0.620 14.122 15.368 1.00 0.00 C ATOM 1079 CG ASP A 68 -1.750 14.979 14.827 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -2.383 14.567 13.832 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -2.001 16.060 15.399 1.00 0.00 O ATOM 0 H ASP A 68 -0.325 12.214 13.731 1.00 0.00 H new ATOM 0 HA ASP A 68 0.665 14.955 13.860 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.000 13.126 15.595 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.261 14.548 16.305 1.00 0.00 H new ATOM 1086 N PHE A 69 1.903 12.526 15.745 1.00 0.00 N ATOM 1087 CA PHE A 69 3.082 12.119 16.500 1.00 0.00 C ATOM 1088 C PHE A 69 4.127 11.496 15.579 1.00 0.00 C ATOM 1089 O PHE A 69 4.541 10.352 15.773 1.00 0.00 O ATOM 1090 CB PHE A 69 2.692 11.127 17.599 1.00 0.00 C ATOM 1091 CG PHE A 69 1.834 11.730 18.675 1.00 0.00 C ATOM 1092 CD1 PHE A 69 0.461 11.822 18.515 1.00 0.00 C ATOM 1093 CD2 PHE A 69 2.402 12.207 19.845 1.00 0.00 C ATOM 1094 CE1 PHE A 69 -0.331 12.376 19.502 1.00 0.00 C ATOM 1095 CE2 PHE A 69 1.615 12.762 20.838 1.00 0.00 C ATOM 1096 CZ PHE A 69 0.247 12.847 20.665 1.00 0.00 C ATOM 0 H PHE A 69 1.155 11.833 15.726 1.00 0.00 H new ATOM 0 HA PHE A 69 3.515 13.007 16.961 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.160 10.289 17.149 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.598 10.724 18.051 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.004 11.456 17.607 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.471 12.145 19.983 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -1.400 12.441 19.365 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.069 13.128 21.747 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.370 13.281 21.438 1.00 0.00 H new ATOM 1106 N ASN A 70 4.549 12.257 14.576 1.00 0.00 N ATOM 1107 CA ASN A 70 5.545 11.782 13.621 1.00 0.00 C ATOM 1108 C ASN A 70 6.212 12.954 12.909 1.00 0.00 C ATOM 1109 O ASN A 70 7.438 13.005 12.786 1.00 0.00 O ATOM 1110 CB ASN A 70 4.892 10.849 12.599 1.00 0.00 C ATOM 1111 CG ASN A 70 5.591 9.507 12.509 1.00 0.00 C ATOM 1112 OD1 ASN A 70 6.156 9.156 11.473 1.00 0.00 O ATOM 1113 ND2 ASN A 70 5.555 8.747 13.597 1.00 0.00 N ATOM 0 H ASN A 70 4.217 13.206 14.402 1.00 0.00 H new ATOM 0 HA ASN A 70 6.310 11.231 14.168 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.847 10.694 12.869 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.900 11.326 11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.007 7.833 13.596 1.00 0.00 H new ATOM 0 HD22 ASN A 70 5.075 9.077 14.434 1.00 0.00 H new ATOM 1120 N LYS A 71 5.396 13.894 12.441 1.00 0.00 N ATOM 1121 CA LYS A 71 5.899 15.069 11.739 1.00 0.00 C ATOM 1122 C LYS A 71 6.841 15.875 12.626 1.00 0.00 C ATOM 1123 O LYS A 71 6.426 16.830 13.283 1.00 0.00 O ATOM 1124 CB LYS A 71 4.736 15.949 11.278 1.00 0.00 C ATOM 1125 CG LYS A 71 5.174 17.191 10.518 1.00 0.00 C ATOM 1126 CD LYS A 71 4.990 18.451 11.351 1.00 0.00 C ATOM 1127 CE LYS A 71 6.183 19.385 11.221 1.00 0.00 C ATOM 1128 NZ LYS A 71 6.564 19.606 9.799 1.00 0.00 N ATOM 0 H LYS A 71 4.381 13.864 12.536 1.00 0.00 H new ATOM 0 HA LYS A 71 6.457 14.728 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.075 15.359 10.643 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.154 16.253 12.148 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.221 17.093 10.232 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.598 17.276 9.596 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.085 18.969 11.034 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.852 18.179 12.398 1.00 0.00 H new ATOM 0 HE2 LYS A 71 5.947 20.342 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.031 18.968 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.026 20.533 9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.221 18.859 9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.712 19.581 9.203 1.00 0.00 H new ATOM 1142 N MET A 72 8.110 15.484 12.642 1.00 0.00 N ATOM 1143 CA MET A 72 9.115 16.167 13.446 1.00 0.00 C ATOM 1144 C MET A 72 10.476 15.500 13.290 1.00 0.00 C ATOM 1145 O MET A 72 11.382 16.052 12.666 1.00 0.00 O ATOM 1146 CB MET A 72 8.702 16.180 14.921 1.00 0.00 C ATOM 1147 CG MET A 72 8.875 17.535 15.589 1.00 0.00 C ATOM 1148 SD MET A 72 7.638 17.842 16.865 1.00 0.00 S ATOM 1149 CE MET A 72 7.764 16.336 17.827 1.00 0.00 C ATOM 0 H MET A 72 8.468 14.694 12.105 1.00 0.00 H new ATOM 0 HA MET A 72 9.191 17.195 13.092 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.658 15.876 15.000 1.00 0.00 H new ATOM 0 HB3 MET A 72 9.292 15.440 15.461 1.00 0.00 H new ATOM 0 HG2 MET A 72 9.870 17.594 16.031 1.00 0.00 H new ATOM 0 HG3 MET A 72 8.815 18.319 14.834 1.00 0.00 H new ATOM 0 HE1 MET A 72 7.269 16.476 18.788 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.286 15.519 17.288 1.00 0.00 H new ATOM 0 HE3 MET A 72 8.814 16.096 17.992 1.00 0.00 H new ATOM 1159 N TYR A 73 10.611 14.308 13.859 1.00 0.00 N ATOM 1160 CA TYR A 73 11.858 13.561 13.782 1.00 0.00 C ATOM 1161 C TYR A 73 11.681 12.284 12.966 1.00 0.00 C ATOM 1162 O TYR A 73 12.636 11.771 12.383 1.00 0.00 O ATOM 1163 CB TYR A 73 12.358 13.217 15.186 1.00 0.00 C ATOM 1164 CG TYR A 73 13.854 13.005 15.262 1.00 0.00 C ATOM 1165 CD1 TYR A 73 14.436 11.848 14.761 1.00 0.00 C ATOM 1166 CD2 TYR A 73 14.682 13.962 15.835 1.00 0.00 C ATOM 1167 CE1 TYR A 73 15.803 11.650 14.828 1.00 0.00 C ATOM 1168 CE2 TYR A 73 16.049 13.771 15.906 1.00 0.00 C ATOM 1169 CZ TYR A 73 16.604 12.614 15.401 1.00 0.00 C ATOM 1170 OH TYR A 73 17.965 12.421 15.471 1.00 0.00 O ATOM 0 H TYR A 73 9.870 13.838 14.379 1.00 0.00 H new ATOM 0 HA TYR A 73 12.597 14.189 13.283 1.00 0.00 H new ATOM 0 HB2 TYR A 73 12.078 14.019 15.869 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.854 12.314 15.531 1.00 0.00 H new ATOM 0 HD1 TYR A 73 13.811 11.090 14.312 1.00 0.00 H new ATOM 0 HD2 TYR A 73 14.251 14.869 16.231 1.00 0.00 H new ATOM 0 HE1 TYR A 73 16.240 10.745 14.433 1.00 0.00 H new ATOM 0 HE2 TYR A 73 16.680 14.524 16.355 1.00 0.00 H new ATOM 0 HH TYR A 73 18.383 13.195 15.903 1.00 0.00 H new ATOM 1180 N GLU A 74 10.454 11.769 12.934 1.00 0.00 N ATOM 1181 CA GLU A 74 10.158 10.554 12.200 1.00 0.00 C ATOM 1182 C GLU A 74 10.447 10.727 10.713 1.00 0.00 C ATOM 1183 O GLU A 74 10.964 9.821 10.060 1.00 0.00 O ATOM 1184 CB GLU A 74 8.699 10.143 12.413 1.00 0.00 C ATOM 1185 CG GLU A 74 8.543 8.845 13.188 1.00 0.00 C ATOM 1186 CD GLU A 74 8.181 9.074 14.642 1.00 0.00 C ATOM 1187 OE1 GLU A 74 8.531 10.146 15.179 1.00 0.00 O ATOM 1188 OE2 GLU A 74 7.549 8.181 15.244 1.00 0.00 O ATOM 0 H GLU A 74 9.651 12.180 13.411 1.00 0.00 H new ATOM 0 HA GLU A 74 10.805 9.764 12.582 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.179 10.940 12.945 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.214 10.038 11.443 1.00 0.00 H new ATOM 0 HG2 GLU A 74 7.772 8.235 12.717 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.473 8.280 13.134 1.00 0.00 H new ATOM 1195 N LEU A 75 10.108 11.896 10.185 1.00 0.00 N ATOM 1196 CA LEU A 75 10.328 12.193 8.775 1.00 0.00 C ATOM 1197 C LEU A 75 11.819 12.231 8.453 1.00 0.00 C ATOM 1198 O LEU A 75 12.613 12.785 9.212 1.00 0.00 O ATOM 1199 CB LEU A 75 9.680 13.529 8.406 1.00 0.00 C ATOM 1200 CG LEU A 75 10.126 14.721 9.254 1.00 0.00 C ATOM 1201 CD1 LEU A 75 11.342 15.392 8.635 1.00 0.00 C ATOM 1202 CD2 LEU A 75 8.988 15.719 9.411 1.00 0.00 C ATOM 0 H LEU A 75 9.679 12.656 10.713 1.00 0.00 H new ATOM 0 HA LEU A 75 9.868 11.399 8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.898 13.745 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.598 13.427 8.491 1.00 0.00 H new ATOM 0 HG LEU A 75 10.402 14.355 10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.645 16.238 9.252 1.00 0.00 H new ATOM 0 HD12 LEU A 75 12.161 14.676 8.574 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.093 15.744 7.634 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.323 16.561 10.017 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.681 16.079 8.429 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.143 15.234 9.900 1.00 0.00 H new ATOM 1214 N TYR A 76 12.190 11.638 7.324 1.00 0.00 N ATOM 1215 CA TYR A 76 13.586 11.604 6.902 1.00 0.00 C ATOM 1216 C TYR A 76 13.726 10.935 5.538 1.00 0.00 C ATOM 1217 O TYR A 76 14.493 11.390 4.688 1.00 0.00 O ATOM 1218 CB TYR A 76 14.435 10.866 7.939 1.00 0.00 C ATOM 1219 CG TYR A 76 15.277 11.784 8.797 1.00 0.00 C ATOM 1220 CD1 TYR A 76 16.015 12.814 8.227 1.00 0.00 C ATOM 1221 CD2 TYR A 76 15.334 11.621 10.176 1.00 0.00 C ATOM 1222 CE1 TYR A 76 16.786 13.655 9.007 1.00 0.00 C ATOM 1223 CE2 TYR A 76 16.101 12.458 10.962 1.00 0.00 C ATOM 1224 CZ TYR A 76 16.825 13.473 10.373 1.00 0.00 C ATOM 1225 OH TYR A 76 17.592 14.308 11.153 1.00 0.00 O ATOM 0 H TYR A 76 11.544 11.174 6.685 1.00 0.00 H new ATOM 0 HA TYR A 76 13.941 12.631 6.818 1.00 0.00 H new ATOM 0 HB2 TYR A 76 13.779 10.281 8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 76 15.089 10.161 7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 76 15.986 12.960 7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.769 10.826 10.641 1.00 0.00 H new ATOM 0 HE1 TYR A 76 17.355 14.451 8.549 1.00 0.00 H new ATOM 0 HE2 TYR A 76 16.134 12.318 12.032 1.00 0.00 H new ATOM 0 HH TYR A 76 17.509 14.045 12.093 1.00 0.00 H new ATOM 1235 N ASP A 77 12.983 9.851 5.336 1.00 0.00 N ATOM 1236 CA ASP A 77 13.026 9.119 4.075 1.00 0.00 C ATOM 1237 C ASP A 77 12.021 9.692 3.078 1.00 0.00 C ATOM 1238 O ASP A 77 10.965 10.190 3.466 1.00 0.00 O ATOM 1239 CB ASP A 77 12.738 7.636 4.312 1.00 0.00 C ATOM 1240 CG ASP A 77 13.938 6.897 4.872 1.00 0.00 C ATOM 1241 OD1 ASP A 77 14.288 7.135 6.047 1.00 0.00 O ATOM 1242 OD2 ASP A 77 14.529 6.080 4.135 1.00 0.00 O ATOM 0 H ASP A 77 12.344 9.460 6.029 1.00 0.00 H new ATOM 0 HA ASP A 77 14.027 9.225 3.656 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.899 7.537 5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.435 7.173 3.373 1.00 0.00 H new ATOM 1247 N PRO A 78 12.338 9.628 1.773 1.00 0.00 N ATOM 1248 CA PRO A 78 11.456 10.143 0.721 1.00 0.00 C ATOM 1249 C PRO A 78 10.044 9.574 0.820 1.00 0.00 C ATOM 1250 O PRO A 78 9.081 10.311 1.030 1.00 0.00 O ATOM 1251 CB PRO A 78 12.131 9.676 -0.572 1.00 0.00 C ATOM 1252 CG PRO A 78 13.564 9.501 -0.212 1.00 0.00 C ATOM 1253 CD PRO A 78 13.578 9.048 1.222 1.00 0.00 C ATOM 0 HA PRO A 78 11.333 11.224 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.696 8.743 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.010 10.410 -1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.042 8.765 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.113 10.435 -0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.583 7.961 1.300 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.460 9.410 1.750 1.00 0.00 H new ATOM 1261 N CYS A 79 9.929 8.259 0.668 1.00 0.00 N ATOM 1262 CA CYS A 79 8.635 7.590 0.741 1.00 0.00 C ATOM 1263 C CYS A 79 8.796 6.146 1.203 1.00 0.00 C ATOM 1264 O CYS A 79 9.910 5.681 1.443 1.00 0.00 O ATOM 1265 CB CYS A 79 7.941 7.626 -0.622 1.00 0.00 C ATOM 1266 SG CYS A 79 7.432 9.279 -1.149 1.00 0.00 S ATOM 0 H CYS A 79 10.717 7.635 0.493 1.00 0.00 H new ATOM 0 HA CYS A 79 8.020 8.120 1.468 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.614 7.209 -1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.063 6.981 -0.588 1.00 0.00 H new ATOM 0 HG CYS A 79 7.931 10.165 -0.340 1.00 0.00 H new ATOM 1272 N THR A 80 7.676 5.439 1.325 1.00 0.00 N ATOM 1273 CA THR A 80 7.695 4.047 1.758 1.00 0.00 C ATOM 1274 C THR A 80 6.317 3.411 1.620 1.00 0.00 C ATOM 1275 O THR A 80 5.296 4.066 1.834 1.00 0.00 O ATOM 1276 CB THR A 80 8.164 3.946 3.209 1.00 0.00 C ATOM 1277 OG1 THR A 80 8.318 2.589 3.590 1.00 0.00 O ATOM 1278 CG2 THR A 80 7.211 4.593 4.191 1.00 0.00 C ATOM 0 H THR A 80 6.745 5.808 1.130 1.00 0.00 H new ATOM 0 HA THR A 80 8.392 3.509 1.116 1.00 0.00 H new ATOM 0 HB THR A 80 9.115 4.478 3.246 1.00 0.00 H new ATOM 0 HG1 THR A 80 8.620 2.543 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.603 4.486 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.106 5.651 3.953 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.237 4.108 4.126 1.00 0.00 H new ATOM 1286 N VAL A 81 6.294 2.132 1.263 1.00 0.00 N ATOM 1287 CA VAL A 81 5.043 1.410 1.100 1.00 0.00 C ATOM 1288 C VAL A 81 4.798 0.459 2.270 1.00 0.00 C ATOM 1289 O VAL A 81 5.712 0.149 3.033 1.00 0.00 O ATOM 1290 CB VAL A 81 5.031 0.619 -0.224 1.00 0.00 C ATOM 1291 CG1 VAL A 81 5.893 -0.633 -0.124 1.00 0.00 C ATOM 1292 CG2 VAL A 81 3.606 0.265 -0.622 1.00 0.00 C ATOM 0 H VAL A 81 7.129 1.576 1.081 1.00 0.00 H new ATOM 0 HA VAL A 81 4.242 2.149 1.077 1.00 0.00 H new ATOM 0 HB VAL A 81 5.457 1.254 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.865 -1.170 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.921 -0.350 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.510 -1.276 0.669 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.618 -0.293 -1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.151 -0.345 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.027 1.179 -0.751 1.00 0.00 H new ATOM 1302 N MET A 82 3.558 -0.002 2.404 1.00 0.00 N ATOM 1303 CA MET A 82 3.196 -0.917 3.479 1.00 0.00 C ATOM 1304 C MET A 82 1.795 -1.481 3.269 1.00 0.00 C ATOM 1305 O MET A 82 0.849 -0.740 2.999 1.00 0.00 O ATOM 1306 CB MET A 82 3.273 -0.204 4.831 1.00 0.00 C ATOM 1307 CG MET A 82 2.570 1.143 4.849 1.00 0.00 C ATOM 1308 SD MET A 82 2.646 1.943 6.463 1.00 0.00 S ATOM 1309 CE MET A 82 4.415 2.116 6.674 1.00 0.00 C ATOM 0 H MET A 82 2.788 0.243 1.782 1.00 0.00 H new ATOM 0 HA MET A 82 3.905 -1.745 3.470 1.00 0.00 H new ATOM 0 HB2 MET A 82 2.833 -0.844 5.596 1.00 0.00 H new ATOM 0 HB3 MET A 82 4.320 -0.062 5.098 1.00 0.00 H new ATOM 0 HG2 MET A 82 3.023 1.795 4.103 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.527 1.008 4.563 1.00 0.00 H new ATOM 0 HE1 MET A 82 4.618 2.846 7.457 1.00 0.00 H new ATOM 0 HE2 MET A 82 4.844 1.154 6.954 1.00 0.00 H new ATOM 0 HE3 MET A 82 4.862 2.454 5.739 1.00 0.00 H new ATOM 1319 N PHE A 83 1.669 -2.799 3.399 1.00 0.00 N ATOM 1320 CA PHE A 83 0.384 -3.465 3.227 1.00 0.00 C ATOM 1321 C PHE A 83 -0.408 -3.456 4.529 1.00 0.00 C ATOM 1322 O PHE A 83 0.151 -3.248 5.606 1.00 0.00 O ATOM 1323 CB PHE A 83 0.591 -4.903 2.749 1.00 0.00 C ATOM 1324 CG PHE A 83 0.587 -5.044 1.254 1.00 0.00 C ATOM 1325 CD1 PHE A 83 1.510 -4.360 0.478 1.00 0.00 C ATOM 1326 CD2 PHE A 83 -0.340 -5.859 0.624 1.00 0.00 C ATOM 1327 CE1 PHE A 83 1.509 -4.488 -0.898 1.00 0.00 C ATOM 1328 CE2 PHE A 83 -0.346 -5.990 -0.752 1.00 0.00 C ATOM 1329 CZ PHE A 83 0.579 -5.304 -1.514 1.00 0.00 C ATOM 0 H PHE A 83 2.442 -3.426 3.623 1.00 0.00 H new ATOM 0 HA PHE A 83 -0.184 -2.920 2.473 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.539 -5.274 3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.194 -5.533 3.167 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.238 -3.720 0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.066 -6.398 1.215 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.234 -3.951 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.074 -6.628 -1.231 1.00 0.00 H new ATOM 0 HZ PHE A 83 0.576 -5.405 -2.589 1.00 0.00 H new ATOM 1339 N PHE A 84 -1.713 -3.680 4.424 1.00 0.00 N ATOM 1340 CA PHE A 84 -2.582 -3.697 5.594 1.00 0.00 C ATOM 1341 C PHE A 84 -3.756 -4.647 5.387 1.00 0.00 C ATOM 1342 O PHE A 84 -4.587 -4.441 4.502 1.00 0.00 O ATOM 1343 CB PHE A 84 -3.097 -2.288 5.892 1.00 0.00 C ATOM 1344 CG PHE A 84 -2.227 -1.520 6.847 1.00 0.00 C ATOM 1345 CD1 PHE A 84 -2.361 -1.691 8.216 1.00 0.00 C ATOM 1346 CD2 PHE A 84 -1.276 -0.630 6.376 1.00 0.00 C ATOM 1347 CE1 PHE A 84 -1.563 -0.987 9.097 1.00 0.00 C ATOM 1348 CE2 PHE A 84 -0.475 0.078 7.253 1.00 0.00 C ATOM 1349 CZ PHE A 84 -0.618 -0.101 8.614 1.00 0.00 C ATOM 0 H PHE A 84 -2.192 -3.852 3.540 1.00 0.00 H new ATOM 0 HA PHE A 84 -1.998 -4.051 6.444 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.174 -1.733 4.957 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.103 -2.358 6.306 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -3.097 -2.382 8.598 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -1.159 -0.487 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.677 -1.129 10.162 1.00 0.00 H new ATOM 0 HE2 PHE A 84 0.262 0.770 6.873 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.007 0.450 9.301 1.00 0.00 H new ATOM 1359 N PHE A 85 -3.820 -5.685 6.213 1.00 0.00 N ATOM 1360 CA PHE A 85 -4.893 -6.668 6.124 1.00 0.00 C ATOM 1361 C PHE A 85 -5.473 -6.956 7.506 1.00 0.00 C ATOM 1362 O PHE A 85 -4.764 -6.904 8.510 1.00 0.00 O ATOM 1363 CB PHE A 85 -4.377 -7.963 5.495 1.00 0.00 C ATOM 1364 CG PHE A 85 -5.412 -9.049 5.409 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -6.655 -8.797 4.852 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -5.141 -10.323 5.884 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -7.610 -9.793 4.772 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.091 -11.323 5.807 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.327 -11.058 5.250 1.00 0.00 C ATOM 0 H PHE A 85 -3.141 -5.868 6.952 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.681 -6.257 5.493 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.006 -7.747 4.493 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.530 -8.326 6.077 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.881 -7.810 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.176 -10.536 6.319 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.576 -9.583 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.868 -12.311 6.182 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.071 -11.838 5.188 1.00 0.00 H new ATOM 1379 N ARG A 86 -6.766 -7.258 7.548 1.00 0.00 N ATOM 1380 CA ARG A 86 -7.445 -7.554 8.807 1.00 0.00 C ATOM 1381 C ARG A 86 -7.193 -6.459 9.841 1.00 0.00 C ATOM 1382 O ARG A 86 -7.247 -6.706 11.047 1.00 0.00 O ATOM 1383 CB ARG A 86 -6.977 -8.903 9.354 1.00 0.00 C ATOM 1384 CG ARG A 86 -7.754 -9.366 10.577 1.00 0.00 C ATOM 1385 CD ARG A 86 -7.768 -10.882 10.685 1.00 0.00 C ATOM 1386 NE ARG A 86 -8.515 -11.340 11.855 1.00 0.00 N ATOM 1387 CZ ARG A 86 -8.400 -12.558 12.378 1.00 0.00 C ATOM 1388 NH1 ARG A 86 -7.571 -13.444 11.839 1.00 0.00 N ATOM 1389 NH2 ARG A 86 -9.117 -12.893 13.442 1.00 0.00 N ATOM 0 H ARG A 86 -7.366 -7.305 6.725 1.00 0.00 H new ATOM 0 HA ARG A 86 -8.516 -7.597 8.609 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.068 -9.655 8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.920 -8.835 9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -7.308 -8.940 11.476 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -8.777 -8.994 10.522 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.211 -11.306 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -6.744 -11.251 10.741 1.00 0.00 H new ATOM 0 HE ARG A 86 -9.163 -10.687 12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -7.018 -13.192 11.020 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.487 -14.376 12.244 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.757 -12.217 13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.029 -13.827 13.843 1.00 0.00 H new ATOM 1403 N ASN A 87 -6.919 -5.248 9.364 1.00 0.00 N ATOM 1404 CA ASN A 87 -6.662 -4.118 10.249 1.00 0.00 C ATOM 1405 C ASN A 87 -5.447 -4.381 11.136 1.00 0.00 C ATOM 1406 O ASN A 87 -5.419 -3.978 12.300 1.00 0.00 O ATOM 1407 CB ASN A 87 -7.889 -3.833 11.115 1.00 0.00 C ATOM 1408 CG ASN A 87 -7.741 -2.560 11.926 1.00 0.00 C ATOM 1409 OD1 ASN A 87 -7.473 -2.602 13.127 1.00 0.00 O ATOM 1410 ND2 ASN A 87 -7.916 -1.418 11.271 1.00 0.00 N ATOM 0 H ASN A 87 -6.869 -5.025 8.370 1.00 0.00 H new ATOM 0 HA ASN A 87 -6.452 -3.246 9.630 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -8.770 -3.754 10.478 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.057 -4.673 11.789 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.829 -0.529 11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.137 -1.430 10.275 1.00 0.00 H new ATOM 1417 N LYS A 88 -4.445 -5.054 10.580 1.00 0.00 N ATOM 1418 CA LYS A 88 -3.229 -5.364 11.325 1.00 0.00 C ATOM 1419 C LYS A 88 -1.988 -4.962 10.531 1.00 0.00 C ATOM 1420 O LYS A 88 -2.090 -4.338 9.475 1.00 0.00 O ATOM 1421 CB LYS A 88 -3.176 -6.855 11.665 1.00 0.00 C ATOM 1422 CG LYS A 88 -3.043 -7.757 10.448 1.00 0.00 C ATOM 1423 CD LYS A 88 -2.084 -8.909 10.709 1.00 0.00 C ATOM 1424 CE LYS A 88 -2.571 -9.791 11.849 1.00 0.00 C ATOM 1425 NZ LYS A 88 -1.721 -11.001 12.016 1.00 0.00 N ATOM 0 H LYS A 88 -4.450 -5.395 9.619 1.00 0.00 H new ATOM 0 HA LYS A 88 -3.245 -4.792 12.253 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.334 -7.036 12.334 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.080 -7.126 12.210 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.022 -8.152 10.178 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.689 -7.173 9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.977 -9.507 9.804 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.096 -8.515 10.949 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.573 -9.218 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -3.601 -10.094 11.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.086 -11.576 12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.739 -11.562 11.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -0.743 -10.713 12.222 1.00 0.00 H new ATOM 1439 N HIS A 89 -0.819 -5.323 11.050 1.00 0.00 N ATOM 1440 CA HIS A 89 0.442 -4.998 10.391 1.00 0.00 C ATOM 1441 C HIS A 89 0.776 -6.024 9.313 1.00 0.00 C ATOM 1442 O HIS A 89 0.655 -7.229 9.528 1.00 0.00 O ATOM 1443 CB HIS A 89 1.574 -4.932 11.416 1.00 0.00 C ATOM 1444 CG HIS A 89 2.733 -4.093 10.975 1.00 0.00 C ATOM 1445 ND1 HIS A 89 3.997 -4.213 11.513 1.00 0.00 N ATOM 1446 CD2 HIS A 89 2.815 -3.116 10.041 1.00 0.00 C ATOM 1447 CE1 HIS A 89 4.806 -3.346 10.929 1.00 0.00 C ATOM 1448 NE2 HIS A 89 4.113 -2.670 10.032 1.00 0.00 N ATOM 0 H HIS A 89 -0.718 -5.840 11.924 1.00 0.00 H new ATOM 0 HA HIS A 89 0.333 -4.023 9.916 1.00 0.00 H new ATOM 0 HB2 HIS A 89 1.183 -4.533 12.352 1.00 0.00 H new ATOM 0 HB3 HIS A 89 1.926 -5.943 11.622 1.00 0.00 H new ATOM 0 HD2 HIS A 89 2.009 -2.755 9.419 1.00 0.00 H new ATOM 0 HE1 HIS A 89 5.855 -3.213 11.148 1.00 0.00 H new ATOM 0 HE2 HIS A 89 4.482 -1.935 9.429 1.00 0.00 H new ATOM 1457 N ILE A 90 1.200 -5.534 8.152 1.00 0.00 N ATOM 1458 CA ILE A 90 1.556 -6.405 7.037 1.00 0.00 C ATOM 1459 C ILE A 90 2.756 -5.853 6.274 1.00 0.00 C ATOM 1460 O ILE A 90 2.667 -4.809 5.628 1.00 0.00 O ATOM 1461 CB ILE A 90 0.377 -6.580 6.060 1.00 0.00 C ATOM 1462 CG1 ILE A 90 -0.891 -6.971 6.822 1.00 0.00 C ATOM 1463 CG2 ILE A 90 0.712 -7.625 5.006 1.00 0.00 C ATOM 1464 CD1 ILE A 90 -0.805 -8.329 7.484 1.00 0.00 C ATOM 0 H ILE A 90 1.305 -4.538 7.959 1.00 0.00 H new ATOM 0 HA ILE A 90 1.811 -7.376 7.462 1.00 0.00 H new ATOM 0 HB ILE A 90 0.198 -5.630 5.557 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.095 -6.217 7.583 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.736 -6.965 6.133 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.131 -7.737 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.592 -7.308 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.915 -8.580 5.492 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.739 -8.539 8.005 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.632 -9.093 6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 90 0.018 -8.334 8.198 1.00 0.00 H new ATOM 1476 N MET A 91 3.878 -6.562 6.353 1.00 0.00 N ATOM 1477 CA MET A 91 5.097 -6.141 5.671 1.00 0.00 C ATOM 1478 C MET A 91 5.204 -6.790 4.294 1.00 0.00 C ATOM 1479 O MET A 91 5.353 -8.005 4.179 1.00 0.00 O ATOM 1480 CB MET A 91 6.325 -6.498 6.511 1.00 0.00 C ATOM 1481 CG MET A 91 6.265 -5.963 7.932 1.00 0.00 C ATOM 1482 SD MET A 91 6.963 -7.110 9.136 1.00 0.00 S ATOM 1483 CE MET A 91 8.702 -6.698 9.028 1.00 0.00 C ATOM 0 H MET A 91 3.968 -7.430 6.882 1.00 0.00 H new ATOM 0 HA MET A 91 5.055 -5.060 5.541 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.430 -7.582 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 91 7.217 -6.106 6.021 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.804 -5.017 7.983 1.00 0.00 H new ATOM 0 HG3 MET A 91 5.228 -5.754 8.194 1.00 0.00 H new ATOM 0 HE1 MET A 91 9.268 -7.325 9.717 1.00 0.00 H new ATOM 0 HE2 MET A 91 9.054 -6.867 8.010 1.00 0.00 H new ATOM 0 HE3 MET A 91 8.845 -5.650 9.291 1.00 0.00 H new ATOM 1493 N ILE A 92 5.128 -5.968 3.251 1.00 0.00 N ATOM 1494 CA ILE A 92 5.219 -6.459 1.882 1.00 0.00 C ATOM 1495 C ILE A 92 5.805 -5.396 0.957 1.00 0.00 C ATOM 1496 O ILE A 92 5.236 -4.316 0.797 1.00 0.00 O ATOM 1497 CB ILE A 92 3.841 -6.890 1.345 1.00 0.00 C ATOM 1498 CG1 ILE A 92 3.148 -7.819 2.342 1.00 0.00 C ATOM 1499 CG2 ILE A 92 3.990 -7.570 -0.010 1.00 0.00 C ATOM 1500 CD1 ILE A 92 1.807 -8.332 1.864 1.00 0.00 C ATOM 0 H ILE A 92 5.004 -4.959 3.329 1.00 0.00 H new ATOM 0 HA ILE A 92 5.879 -7.327 1.900 1.00 0.00 H new ATOM 0 HB ILE A 92 3.222 -6.002 1.217 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.800 -8.668 2.547 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.009 -7.288 3.284 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.008 -7.869 -0.377 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.446 -6.877 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.623 -8.452 0.093 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.375 -8.984 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.138 -7.490 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.940 -8.892 0.938 1.00 0.00 H new ATOM 1512 N ASP A 93 6.945 -5.710 0.351 1.00 0.00 N ATOM 1513 CA ASP A 93 7.611 -4.783 -0.556 1.00 0.00 C ATOM 1514 C ASP A 93 7.016 -4.866 -1.958 1.00 0.00 C ATOM 1515 O ASP A 93 6.470 -5.897 -2.352 1.00 0.00 O ATOM 1516 CB ASP A 93 9.110 -5.080 -0.609 1.00 0.00 C ATOM 1517 CG ASP A 93 9.400 -6.525 -0.968 1.00 0.00 C ATOM 1518 OD1 ASP A 93 8.970 -7.422 -0.214 1.00 0.00 O ATOM 1519 OD2 ASP A 93 10.058 -6.758 -2.005 1.00 0.00 O ATOM 0 H ASP A 93 7.427 -6.601 0.472 1.00 0.00 H new ATOM 0 HA ASP A 93 7.459 -3.772 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.582 -4.425 -1.341 1.00 0.00 H new ATOM 0 HB3 ASP A 93 9.557 -4.852 0.358 1.00 0.00 H new ATOM 1524 N LEU A 94 7.127 -3.774 -2.708 1.00 0.00 N ATOM 1525 CA LEU A 94 6.604 -3.725 -4.068 1.00 0.00 C ATOM 1526 C LEU A 94 7.263 -4.788 -4.941 1.00 0.00 C ATOM 1527 O LEU A 94 6.660 -5.292 -5.888 1.00 0.00 O ATOM 1528 CB LEU A 94 6.827 -2.338 -4.676 1.00 0.00 C ATOM 1529 CG LEU A 94 5.786 -1.285 -4.291 1.00 0.00 C ATOM 1530 CD1 LEU A 94 6.090 0.043 -4.972 1.00 0.00 C ATOM 1531 CD2 LEU A 94 4.388 -1.763 -4.653 1.00 0.00 C ATOM 0 H LEU A 94 7.574 -2.912 -2.397 1.00 0.00 H new ATOM 0 HA LEU A 94 5.533 -3.926 -4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.811 -1.980 -4.374 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.841 -2.432 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 94 5.831 -1.135 -3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.339 0.779 -4.686 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.076 0.392 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.073 -0.091 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.659 -1.002 -4.373 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.331 -1.941 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.170 -2.688 -4.119 1.00 0.00 H new ATOM 1543 N GLY A 95 8.508 -5.125 -4.613 1.00 0.00 N ATOM 1544 CA GLY A 95 9.229 -6.127 -5.375 1.00 0.00 C ATOM 1545 C GLY A 95 8.637 -7.514 -5.216 1.00 0.00 C ATOM 1546 O GLY A 95 7.546 -7.790 -5.714 1.00 0.00 O ATOM 0 H GLY A 95 9.029 -4.722 -3.834 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.222 -5.851 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.271 -6.141 -5.056 1.00 0.00 H new ATOM 1550 N THR A 96 9.357 -8.387 -4.520 1.00 0.00 N ATOM 1551 CA THR A 96 8.896 -9.752 -4.295 1.00 0.00 C ATOM 1552 C THR A 96 9.685 -10.414 -3.169 1.00 0.00 C ATOM 1553 O THR A 96 9.113 -11.067 -2.297 1.00 0.00 O ATOM 1554 CB THR A 96 9.028 -10.576 -5.578 1.00 0.00 C ATOM 1555 OG1 THR A 96 8.291 -9.982 -6.632 1.00 0.00 O ATOM 1556 CG2 THR A 96 8.546 -12.002 -5.427 1.00 0.00 C ATOM 0 H THR A 96 10.263 -8.174 -4.102 1.00 0.00 H new ATOM 0 HA THR A 96 7.846 -9.711 -4.004 1.00 0.00 H new ATOM 0 HB THR A 96 10.095 -10.593 -5.802 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.564 -9.441 -6.259 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.668 -12.529 -6.373 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.129 -12.503 -4.654 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.493 -12.002 -5.145 1.00 0.00 H new ATOM 1564 N GLY A 97 11.002 -10.238 -3.194 1.00 0.00 N ATOM 1565 CA GLY A 97 11.848 -10.825 -2.171 1.00 0.00 C ATOM 1566 C GLY A 97 13.319 -10.537 -2.398 1.00 0.00 C ATOM 1567 O GLY A 97 14.026 -11.333 -3.015 1.00 0.00 O ATOM 0 H GLY A 97 11.499 -9.700 -3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.552 -10.440 -1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.691 -11.903 -2.149 1.00 0.00 H new ATOM 1571 N ASN A 98 13.781 -9.395 -1.899 1.00 0.00 N ATOM 1572 CA ASN A 98 15.177 -9.003 -2.051 1.00 0.00 C ATOM 1573 C ASN A 98 15.585 -8.011 -0.966 1.00 0.00 C ATOM 1574 O ASN A 98 16.390 -8.329 -0.091 1.00 0.00 O ATOM 1575 CB ASN A 98 15.409 -8.390 -3.433 1.00 0.00 C ATOM 1576 CG ASN A 98 16.759 -8.765 -4.012 1.00 0.00 C ATOM 1577 OD1 ASN A 98 17.570 -7.899 -4.339 1.00 0.00 O ATOM 1578 ND2 ASN A 98 17.006 -10.063 -4.145 1.00 0.00 N ATOM 0 H ASN A 98 13.209 -8.725 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 98 15.792 -9.897 -1.950 1.00 0.00 H new ATOM 0 HB2 ASN A 98 14.622 -8.720 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 98 15.335 -7.305 -3.363 1.00 0.00 H new ATOM 0 HD21 ASN A 98 17.897 -10.376 -4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.305 -10.747 -3.861 1.00 0.00 H new ATOM 1585 N ASN A 99 15.024 -6.808 -1.031 1.00 0.00 N ATOM 1586 CA ASN A 99 15.329 -5.769 -0.054 1.00 0.00 C ATOM 1587 C ASN A 99 14.170 -5.579 0.919 1.00 0.00 C ATOM 1588 O ASN A 99 13.234 -6.378 0.947 1.00 0.00 O ATOM 1589 CB ASN A 99 15.638 -4.448 -0.763 1.00 0.00 C ATOM 1590 CG ASN A 99 16.778 -3.693 -0.108 1.00 0.00 C ATOM 1591 OD1 ASN A 99 16.748 -3.422 1.093 1.00 0.00 O ATOM 1592 ND2 ASN A 99 17.790 -3.349 -0.895 1.00 0.00 N ATOM 0 H ASN A 99 14.356 -6.529 -1.750 1.00 0.00 H new ATOM 0 HA ASN A 99 16.206 -6.083 0.512 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.889 -4.648 -1.805 1.00 0.00 H new ATOM 0 HB3 ASN A 99 14.745 -3.822 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 99 18.585 -2.839 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 99 17.773 -3.595 -1.885 1.00 0.00 H new ATOM 1599 N ASN A 100 14.239 -4.518 1.714 1.00 0.00 N ATOM 1600 CA ASN A 100 13.195 -4.223 2.689 1.00 0.00 C ATOM 1601 C ASN A 100 12.641 -2.816 2.487 1.00 0.00 C ATOM 1602 O ASN A 100 11.552 -2.640 1.942 1.00 0.00 O ATOM 1603 CB ASN A 100 13.738 -4.371 4.112 1.00 0.00 C ATOM 1604 CG ASN A 100 13.545 -5.770 4.662 1.00 0.00 C ATOM 1605 OD1 ASN A 100 12.883 -5.963 5.682 1.00 0.00 O ATOM 1606 ND2 ASN A 100 14.124 -6.757 3.986 1.00 0.00 N ATOM 0 H ASN A 100 15.007 -3.847 1.703 1.00 0.00 H new ATOM 0 HA ASN A 100 12.385 -4.937 2.541 1.00 0.00 H new ATOM 0 HB2 ASN A 100 14.800 -4.124 4.120 1.00 0.00 H new ATOM 0 HB3 ASN A 100 13.239 -3.655 4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 100 14.029 -7.720 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 100 14.664 -6.551 3.145 1.00 0.00 H new ATOM 1613 N LYS A 101 13.397 -1.816 2.933 1.00 0.00 N ATOM 1614 CA LYS A 101 12.986 -0.424 2.806 1.00 0.00 C ATOM 1615 C LYS A 101 12.565 -0.097 1.376 1.00 0.00 C ATOM 1616 O LYS A 101 13.407 0.132 0.507 1.00 0.00 O ATOM 1617 CB LYS A 101 14.123 0.504 3.239 1.00 0.00 C ATOM 1618 CG LYS A 101 14.740 0.127 4.576 1.00 0.00 C ATOM 1619 CD LYS A 101 15.191 1.356 5.348 1.00 0.00 C ATOM 1620 CE LYS A 101 15.182 1.108 6.848 1.00 0.00 C ATOM 1621 NZ LYS A 101 15.529 2.334 7.617 1.00 0.00 N ATOM 0 H LYS A 101 14.301 -1.947 3.387 1.00 0.00 H new ATOM 0 HA LYS A 101 12.126 -0.269 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.900 0.495 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 101 13.745 1.525 3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.014 -0.430 5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.591 -0.533 4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 101 16.195 1.637 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 101 14.536 2.195 5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.196 0.756 7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.891 0.316 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.511 2.122 8.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 16.480 2.656 7.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.838 3.082 7.407 1.00 0.00 H new ATOM 1635 N ILE A 102 11.257 -0.073 1.139 1.00 0.00 N ATOM 1636 CA ILE A 102 10.727 0.229 -0.185 1.00 0.00 C ATOM 1637 C ILE A 102 10.490 1.727 -0.351 1.00 0.00 C ATOM 1638 O ILE A 102 9.349 2.189 -0.369 1.00 0.00 O ATOM 1639 CB ILE A 102 9.405 -0.517 -0.450 1.00 0.00 C ATOM 1640 CG1 ILE A 102 9.541 -1.995 -0.079 1.00 0.00 C ATOM 1641 CG2 ILE A 102 8.998 -0.364 -1.908 1.00 0.00 C ATOM 1642 CD1 ILE A 102 8.915 -2.344 1.254 1.00 0.00 C ATOM 0 H ILE A 102 10.546 -0.259 1.846 1.00 0.00 H new ATOM 0 HA ILE A 102 11.473 -0.105 -0.906 1.00 0.00 H new ATOM 0 HB ILE A 102 8.626 -0.079 0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.078 -2.601 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.598 -2.259 -0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.063 -0.896 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.863 0.693 -2.139 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.776 -0.779 -2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.049 -3.407 1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.394 -1.765 2.044 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.850 -2.111 1.228 1.00 0.00 H new ATOM 1654 N ASN A 103 11.577 2.482 -0.470 1.00 0.00 N ATOM 1655 CA ASN A 103 11.487 3.928 -0.631 1.00 0.00 C ATOM 1656 C ASN A 103 11.900 4.352 -2.038 1.00 0.00 C ATOM 1657 O ASN A 103 11.441 5.373 -2.547 1.00 0.00 O ATOM 1658 CB ASN A 103 12.369 4.632 0.402 1.00 0.00 C ATOM 1659 CG ASN A 103 13.832 4.260 0.263 1.00 0.00 C ATOM 1660 OD1 ASN A 103 14.549 4.819 -0.566 1.00 0.00 O ATOM 1661 ND2 ASN A 103 14.282 3.313 1.077 1.00 0.00 N ATOM 0 H ASN A 103 12.529 2.117 -0.458 1.00 0.00 H new ATOM 0 HA ASN A 103 10.448 4.218 -0.475 1.00 0.00 H new ATOM 0 HB2 ASN A 103 12.260 5.711 0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.025 4.376 1.404 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.258 3.022 1.030 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.651 2.877 1.749 1.00 0.00 H new ATOM 1668 N TRP A 104 12.770 3.562 -2.660 1.00 0.00 N ATOM 1669 CA TRP A 104 13.246 3.862 -4.007 1.00 0.00 C ATOM 1670 C TRP A 104 12.230 3.423 -5.057 1.00 0.00 C ATOM 1671 O TRP A 104 11.984 4.135 -6.031 1.00 0.00 O ATOM 1672 CB TRP A 104 14.588 3.172 -4.261 1.00 0.00 C ATOM 1673 CG TRP A 104 14.579 1.712 -3.926 1.00 0.00 C ATOM 1674 CD1 TRP A 104 14.123 0.694 -4.712 1.00 0.00 C ATOM 1675 CD2 TRP A 104 15.045 1.107 -2.715 1.00 0.00 C ATOM 1676 NE1 TRP A 104 14.279 -0.508 -4.064 1.00 0.00 N ATOM 1677 CE2 TRP A 104 14.842 -0.280 -2.836 1.00 0.00 C ATOM 1678 CE3 TRP A 104 15.615 1.603 -1.539 1.00 0.00 C ATOM 1679 CZ2 TRP A 104 15.190 -1.176 -1.828 1.00 0.00 C ATOM 1680 CZ3 TRP A 104 15.960 0.715 -0.538 1.00 0.00 C ATOM 1681 CH2 TRP A 104 15.746 -0.662 -0.688 1.00 0.00 C ATOM 0 H TRP A 104 13.159 2.711 -2.254 1.00 0.00 H new ATOM 0 HA TRP A 104 13.377 4.941 -4.085 1.00 0.00 H new ATOM 0 HB2 TRP A 104 14.859 3.295 -5.310 1.00 0.00 H new ATOM 0 HB3 TRP A 104 15.360 3.668 -3.672 1.00 0.00 H new ATOM 0 HD1 TRP A 104 13.701 0.815 -5.699 1.00 0.00 H new ATOM 0 HE1 TRP A 104 14.018 -1.421 -4.437 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.783 2.663 -1.415 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.027 -2.238 -1.942 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.402 1.088 0.374 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.026 -1.331 0.112 1.00 0.00 H new ATOM 1692 N ALA A 105 11.643 2.247 -4.853 1.00 0.00 N ATOM 1693 CA ALA A 105 10.653 1.711 -5.782 1.00 0.00 C ATOM 1694 C ALA A 105 11.267 1.455 -7.155 1.00 0.00 C ATOM 1695 O ALA A 105 11.975 2.302 -7.698 1.00 0.00 O ATOM 1696 CB ALA A 105 9.468 2.659 -5.901 1.00 0.00 C ATOM 0 H ALA A 105 11.836 1.646 -4.052 1.00 0.00 H new ATOM 0 HA ALA A 105 10.303 0.758 -5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 105 8.739 2.245 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 105 9.004 2.786 -4.923 1.00 0.00 H new ATOM 0 HB3 ALA A 105 9.811 3.626 -6.268 1.00 0.00 H new ATOM 1702 N MET A 106 10.991 0.279 -7.710 1.00 0.00 N ATOM 1703 CA MET A 106 11.514 -0.093 -9.020 1.00 0.00 C ATOM 1704 C MET A 106 11.000 -1.466 -9.440 1.00 0.00 C ATOM 1705 O MET A 106 10.491 -2.227 -8.617 1.00 0.00 O ATOM 1706 CB MET A 106 13.043 -0.092 -9.001 1.00 0.00 C ATOM 1707 CG MET A 106 13.668 0.253 -10.342 1.00 0.00 C ATOM 1708 SD MET A 106 15.256 1.092 -10.175 1.00 0.00 S ATOM 1709 CE MET A 106 16.341 -0.299 -9.866 1.00 0.00 C ATOM 0 H MET A 106 10.407 -0.434 -7.272 1.00 0.00 H new ATOM 0 HA MET A 106 11.167 0.643 -9.745 1.00 0.00 H new ATOM 0 HB2 MET A 106 13.388 0.623 -8.254 1.00 0.00 H new ATOM 0 HB3 MET A 106 13.395 -1.075 -8.688 1.00 0.00 H new ATOM 0 HG2 MET A 106 13.804 -0.661 -10.921 1.00 0.00 H new ATOM 0 HG3 MET A 106 12.984 0.888 -10.905 1.00 0.00 H new ATOM 0 HE1 MET A 106 17.363 0.058 -9.740 1.00 0.00 H new ATOM 0 HE2 MET A 106 16.023 -0.815 -8.960 1.00 0.00 H new ATOM 0 HE3 MET A 106 16.298 -0.988 -10.709 1.00 0.00 H new ATOM 1719 N GLU A 107 11.135 -1.777 -10.728 1.00 0.00 N ATOM 1720 CA GLU A 107 10.684 -3.061 -11.260 1.00 0.00 C ATOM 1721 C GLU A 107 9.158 -3.148 -11.291 1.00 0.00 C ATOM 1722 O GLU A 107 8.592 -4.213 -11.541 1.00 0.00 O ATOM 1723 CB GLU A 107 11.246 -4.208 -10.422 1.00 0.00 C ATOM 1724 CG GLU A 107 11.781 -5.365 -11.249 1.00 0.00 C ATOM 1725 CD GLU A 107 12.491 -6.406 -10.406 1.00 0.00 C ATOM 1726 OE1 GLU A 107 12.928 -6.066 -9.286 1.00 0.00 O ATOM 1727 OE2 GLU A 107 12.610 -7.561 -10.865 1.00 0.00 O ATOM 0 H GLU A 107 11.553 -1.157 -11.422 1.00 0.00 H new ATOM 0 HA GLU A 107 11.053 -3.142 -12.283 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.046 -3.825 -9.789 1.00 0.00 H new ATOM 0 HB3 GLU A 107 10.464 -4.578 -9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.956 -5.837 -11.783 1.00 0.00 H new ATOM 0 HG3 GLU A 107 12.470 -4.981 -12.001 1.00 0.00 H new ATOM 1734 N ASP A 108 8.497 -2.023 -11.032 1.00 0.00 N ATOM 1735 CA ASP A 108 7.037 -1.970 -11.027 1.00 0.00 C ATOM 1736 C ASP A 108 6.452 -2.615 -12.282 1.00 0.00 C ATOM 1737 O ASP A 108 7.123 -2.713 -13.310 1.00 0.00 O ATOM 1738 CB ASP A 108 6.561 -0.521 -10.919 1.00 0.00 C ATOM 1739 CG ASP A 108 7.265 0.394 -11.902 1.00 0.00 C ATOM 1740 OD1 ASP A 108 8.514 0.426 -11.892 1.00 0.00 O ATOM 1741 OD2 ASP A 108 6.569 1.076 -12.682 1.00 0.00 O ATOM 0 H ASP A 108 8.950 -1.134 -10.822 1.00 0.00 H new ATOM 0 HA ASP A 108 6.687 -2.532 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.486 -0.481 -11.095 1.00 0.00 H new ATOM 0 HB3 ASP A 108 6.732 -0.160 -9.905 1.00 0.00 H new ATOM 1746 N LYS A 109 5.198 -3.058 -12.178 1.00 0.00 N ATOM 1747 CA LYS A 109 4.490 -3.707 -13.286 1.00 0.00 C ATOM 1748 C LYS A 109 4.744 -5.210 -13.285 1.00 0.00 C ATOM 1749 O LYS A 109 3.825 -6.005 -13.476 1.00 0.00 O ATOM 1750 CB LYS A 109 4.898 -3.106 -14.636 1.00 0.00 C ATOM 1751 CG LYS A 109 3.877 -3.336 -15.739 1.00 0.00 C ATOM 1752 CD LYS A 109 3.026 -2.100 -15.978 1.00 0.00 C ATOM 1753 CE LYS A 109 1.577 -2.466 -16.257 1.00 0.00 C ATOM 1754 NZ LYS A 109 1.342 -2.745 -17.701 1.00 0.00 N ATOM 0 H LYS A 109 4.644 -2.978 -11.325 1.00 0.00 H new ATOM 0 HA LYS A 109 3.424 -3.531 -13.141 1.00 0.00 H new ATOM 0 HB2 LYS A 109 5.054 -2.034 -14.515 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.853 -3.534 -14.941 1.00 0.00 H new ATOM 0 HG2 LYS A 109 4.391 -3.609 -16.661 1.00 0.00 H new ATOM 0 HG3 LYS A 109 3.235 -4.175 -15.472 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.076 -1.448 -15.106 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.429 -1.537 -16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.304 -3.342 -15.669 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.928 -1.651 -15.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.342 -2.991 -17.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.578 -1.901 -18.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.942 -3.539 -18.003 1.00 0.00 H new ATOM 1768 N GLN A 110 5.997 -5.592 -13.069 1.00 0.00 N ATOM 1769 CA GLN A 110 6.376 -6.998 -13.038 1.00 0.00 C ATOM 1770 C GLN A 110 6.264 -7.558 -11.625 1.00 0.00 C ATOM 1771 O GLN A 110 5.450 -8.444 -11.359 1.00 0.00 O ATOM 1772 CB GLN A 110 7.805 -7.160 -13.556 1.00 0.00 C ATOM 1773 CG GLN A 110 7.891 -7.888 -14.888 1.00 0.00 C ATOM 1774 CD GLN A 110 9.172 -8.686 -15.034 1.00 0.00 C ATOM 1775 OE1 GLN A 110 9.340 -9.731 -14.409 1.00 0.00 O ATOM 1776 NE2 GLN A 110 10.084 -8.194 -15.865 1.00 0.00 N ATOM 0 H GLN A 110 6.770 -4.945 -12.912 1.00 0.00 H new ATOM 0 HA GLN A 110 5.695 -7.556 -13.681 1.00 0.00 H new ATOM 0 HB2 GLN A 110 8.259 -6.174 -13.660 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.391 -7.704 -12.816 1.00 0.00 H new ATOM 0 HG2 GLN A 110 7.037 -8.558 -14.988 1.00 0.00 H new ATOM 0 HG3 GLN A 110 7.824 -7.163 -15.699 1.00 0.00 H new ATOM 0 HE21 GLN A 110 9.903 -7.323 -16.364 1.00 0.00 H new ATOM 0 HE22 GLN A 110 10.966 -8.687 -16.005 1.00 0.00 H new ATOM 1785 N GLU A 111 7.088 -7.036 -10.722 1.00 0.00 N ATOM 1786 CA GLU A 111 7.084 -7.482 -9.332 1.00 0.00 C ATOM 1787 C GLU A 111 5.702 -7.308 -8.710 1.00 0.00 C ATOM 1788 O GLU A 111 5.245 -8.155 -7.943 1.00 0.00 O ATOM 1789 CB GLU A 111 8.125 -6.705 -8.525 1.00 0.00 C ATOM 1790 CG GLU A 111 9.444 -7.444 -8.359 1.00 0.00 C ATOM 1791 CD GLU A 111 10.013 -7.928 -9.678 1.00 0.00 C ATOM 1792 OE1 GLU A 111 9.660 -7.348 -10.726 1.00 0.00 O ATOM 1793 OE2 GLU A 111 10.811 -8.888 -9.663 1.00 0.00 O ATOM 0 H GLU A 111 7.767 -6.303 -10.927 1.00 0.00 H new ATOM 0 HA GLU A 111 7.338 -8.542 -9.313 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.313 -5.750 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 111 7.716 -6.483 -7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 111 10.166 -6.786 -7.876 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.297 -8.297 -7.696 1.00 0.00 H new ATOM 1800 N MET A 112 5.042 -6.203 -9.047 1.00 0.00 N ATOM 1801 CA MET A 112 3.711 -5.918 -8.524 1.00 0.00 C ATOM 1802 C MET A 112 2.749 -7.059 -8.833 1.00 0.00 C ATOM 1803 O MET A 112 2.183 -7.671 -7.929 1.00 0.00 O ATOM 1804 CB MET A 112 3.181 -4.612 -9.117 1.00 0.00 C ATOM 1805 CG MET A 112 3.531 -3.384 -8.294 1.00 0.00 C ATOM 1806 SD MET A 112 5.302 -3.229 -7.991 1.00 0.00 S ATOM 1807 CE MET A 112 5.450 -1.460 -7.750 1.00 0.00 C ATOM 0 H MET A 112 5.408 -5.491 -9.680 1.00 0.00 H new ATOM 0 HA MET A 112 3.785 -5.815 -7.441 1.00 0.00 H new ATOM 0 HB2 MET A 112 3.582 -4.491 -10.123 1.00 0.00 H new ATOM 0 HB3 MET A 112 2.097 -4.679 -9.211 1.00 0.00 H new ATOM 0 HG2 MET A 112 3.176 -2.492 -8.811 1.00 0.00 H new ATOM 0 HG3 MET A 112 3.006 -3.430 -7.340 1.00 0.00 H new ATOM 0 HE1 MET A 112 6.488 -1.208 -7.534 1.00 0.00 H new ATOM 0 HE2 MET A 112 5.131 -0.942 -8.654 1.00 0.00 H new ATOM 0 HE3 MET A 112 4.821 -1.153 -6.915 1.00 0.00 H new ATOM 1817 N VAL A 113 2.571 -7.346 -10.118 1.00 0.00 N ATOM 1818 CA VAL A 113 1.681 -8.418 -10.551 1.00 0.00 C ATOM 1819 C VAL A 113 1.942 -9.702 -9.765 1.00 0.00 C ATOM 1820 O VAL A 113 1.018 -10.453 -9.455 1.00 0.00 O ATOM 1821 CB VAL A 113 1.848 -8.708 -12.056 1.00 0.00 C ATOM 1822 CG1 VAL A 113 0.936 -9.846 -12.494 1.00 0.00 C ATOM 1823 CG2 VAL A 113 1.575 -7.456 -12.875 1.00 0.00 C ATOM 0 H VAL A 113 3.033 -6.850 -10.880 1.00 0.00 H new ATOM 0 HA VAL A 113 0.662 -8.081 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 113 2.879 -9.015 -12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.072 -10.032 -13.559 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.184 -10.747 -11.934 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.102 -9.574 -12.303 1.00 0.00 H new ATOM 0 HG21 VAL A 113 1.698 -7.680 -13.935 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.556 -7.116 -12.692 1.00 0.00 H new ATOM 0 HG23 VAL A 113 2.276 -6.673 -12.586 1.00 0.00 H new ATOM 1833 N ASP A 114 3.211 -9.946 -9.455 1.00 0.00 N ATOM 1834 CA ASP A 114 3.603 -11.140 -8.714 1.00 0.00 C ATOM 1835 C ASP A 114 3.277 -11.013 -7.226 1.00 0.00 C ATOM 1836 O ASP A 114 2.723 -11.935 -6.625 1.00 0.00 O ATOM 1837 CB ASP A 114 5.098 -11.406 -8.896 1.00 0.00 C ATOM 1838 CG ASP A 114 5.397 -12.177 -10.167 1.00 0.00 C ATOM 1839 OD1 ASP A 114 5.346 -13.424 -10.130 1.00 0.00 O ATOM 1840 OD2 ASP A 114 5.684 -11.533 -11.198 1.00 0.00 O ATOM 0 H ASP A 114 3.986 -9.332 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 114 3.032 -11.978 -9.113 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.633 -10.457 -8.916 1.00 0.00 H new ATOM 0 HB3 ASP A 114 5.472 -11.965 -8.038 1.00 0.00 H new ATOM 1845 N ILE A 115 3.631 -9.876 -6.633 1.00 0.00 N ATOM 1846 CA ILE A 115 3.379 -9.653 -5.213 1.00 0.00 C ATOM 1847 C ILE A 115 1.885 -9.588 -4.915 1.00 0.00 C ATOM 1848 O ILE A 115 1.405 -10.211 -3.967 1.00 0.00 O ATOM 1849 CB ILE A 115 4.064 -8.359 -4.704 1.00 0.00 C ATOM 1850 CG1 ILE A 115 4.365 -8.477 -3.209 1.00 0.00 C ATOM 1851 CG2 ILE A 115 3.206 -7.126 -4.978 1.00 0.00 C ATOM 1852 CD1 ILE A 115 5.298 -9.618 -2.868 1.00 0.00 C ATOM 0 H ILE A 115 4.090 -9.100 -7.110 1.00 0.00 H new ATOM 0 HA ILE A 115 3.808 -10.505 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 115 5.000 -8.238 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 115 4.805 -7.542 -2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.428 -8.610 -2.668 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.717 -6.237 -4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.041 -7.029 -6.051 1.00 0.00 H new ATOM 0 HG23 ILE A 115 2.247 -7.230 -4.471 1.00 0.00 H new ATOM 0 HD11 ILE A 115 5.467 -9.641 -1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 115 4.852 -10.560 -3.185 1.00 0.00 H new ATOM 0 HD13 ILE A 115 6.249 -9.476 -3.381 1.00 0.00 H new ATOM 1864 N ILE A 116 1.160 -8.822 -5.720 1.00 0.00 N ATOM 1865 CA ILE A 116 -0.271 -8.668 -5.527 1.00 0.00 C ATOM 1866 C ILE A 116 -0.989 -10.004 -5.681 1.00 0.00 C ATOM 1867 O ILE A 116 -1.995 -10.260 -5.020 1.00 0.00 O ATOM 1868 CB ILE A 116 -0.869 -7.646 -6.517 1.00 0.00 C ATOM 1869 CG1 ILE A 116 -0.188 -6.285 -6.350 1.00 0.00 C ATOM 1870 CG2 ILE A 116 -2.372 -7.518 -6.313 1.00 0.00 C ATOM 1871 CD1 ILE A 116 0.327 -5.706 -7.649 1.00 0.00 C ATOM 0 H ILE A 116 1.540 -8.300 -6.510 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.418 -8.297 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 116 -0.691 -8.003 -7.532 1.00 0.00 H new ATOM 0 HG12 ILE A 116 -0.895 -5.586 -5.905 1.00 0.00 H new ATOM 0 HG13 ILE A 116 0.643 -6.386 -5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.775 -6.793 -7.020 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.845 -8.486 -6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.574 -7.183 -5.296 1.00 0.00 H new ATOM 0 HD11 ILE A 116 0.797 -4.742 -7.456 1.00 0.00 H new ATOM 0 HD12 ILE A 116 1.059 -6.386 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.503 -5.573 -8.342 1.00 0.00 H new ATOM 1883 N GLU A 117 -0.463 -10.855 -6.558 1.00 0.00 N ATOM 1884 CA GLU A 117 -1.052 -12.167 -6.797 1.00 0.00 C ATOM 1885 C GLU A 117 -0.986 -13.028 -5.541 1.00 0.00 C ATOM 1886 O GLU A 117 -1.934 -13.745 -5.218 1.00 0.00 O ATOM 1887 CB GLU A 117 -0.333 -12.868 -7.951 1.00 0.00 C ATOM 1888 CG GLU A 117 -1.011 -14.153 -8.399 1.00 0.00 C ATOM 1889 CD GLU A 117 -1.908 -13.947 -9.605 1.00 0.00 C ATOM 1890 OE1 GLU A 117 -2.730 -13.007 -9.580 1.00 0.00 O ATOM 1891 OE2 GLU A 117 -1.788 -14.726 -10.573 1.00 0.00 O ATOM 0 H GLU A 117 0.369 -10.659 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 117 -2.099 -12.026 -7.064 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -0.271 -12.185 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 117 0.690 -13.093 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -0.251 -14.897 -8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -1.601 -14.555 -7.575 1.00 0.00 H new ATOM 1898 N THR A 118 0.138 -12.953 -4.837 1.00 0.00 N ATOM 1899 CA THR A 118 0.326 -13.726 -3.614 1.00 0.00 C ATOM 1900 C THR A 118 -0.551 -13.186 -2.489 1.00 0.00 C ATOM 1901 O THR A 118 -1.317 -13.928 -1.874 1.00 0.00 O ATOM 1902 CB THR A 118 1.796 -13.699 -3.190 1.00 0.00 C ATOM 1903 OG1 THR A 118 2.644 -13.628 -4.322 1.00 0.00 O ATOM 1904 CG2 THR A 118 2.207 -14.909 -2.381 1.00 0.00 C ATOM 0 H THR A 118 0.932 -12.366 -5.091 1.00 0.00 H new ATOM 0 HA THR A 118 0.033 -14.756 -3.816 1.00 0.00 H new ATOM 0 HB THR A 118 1.900 -12.812 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 118 3.579 -13.610 -4.030 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.260 -14.827 -2.113 1.00 0.00 H new ATOM 0 HG22 THR A 118 1.605 -14.962 -1.474 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.053 -15.812 -2.972 1.00 0.00 H new ATOM 1912 N VAL A 119 -0.433 -11.889 -2.224 1.00 0.00 N ATOM 1913 CA VAL A 119 -1.215 -11.248 -1.174 1.00 0.00 C ATOM 1914 C VAL A 119 -2.710 -11.346 -1.464 1.00 0.00 C ATOM 1915 O VAL A 119 -3.516 -11.539 -0.555 1.00 0.00 O ATOM 1916 CB VAL A 119 -0.832 -9.764 -1.015 1.00 0.00 C ATOM 1917 CG1 VAL A 119 -1.612 -9.125 0.124 1.00 0.00 C ATOM 1918 CG2 VAL A 119 0.666 -9.621 -0.791 1.00 0.00 C ATOM 0 H VAL A 119 0.197 -11.261 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 119 -0.991 -11.775 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 119 -1.091 -9.242 -1.936 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -1.326 -8.077 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -2.680 -9.192 -0.084 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -1.390 -9.647 1.055 1.00 0.00 H new ATOM 0 HG21 VAL A 119 0.918 -8.566 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 119 0.952 -10.159 0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.203 -10.035 -1.644 1.00 0.00 H new ATOM 1928 N TYR A 120 -3.070 -11.210 -2.734 1.00 0.00 N ATOM 1929 CA TYR A 120 -4.468 -11.279 -3.143 1.00 0.00 C ATOM 1930 C TYR A 120 -5.072 -12.635 -2.792 1.00 0.00 C ATOM 1931 O TYR A 120 -6.253 -12.729 -2.454 1.00 0.00 O ATOM 1932 CB TYR A 120 -4.591 -11.023 -4.647 1.00 0.00 C ATOM 1933 CG TYR A 120 -6.005 -11.130 -5.171 1.00 0.00 C ATOM 1934 CD1 TYR A 120 -6.547 -12.361 -5.516 1.00 0.00 C ATOM 1935 CD2 TYR A 120 -6.798 -9.999 -5.323 1.00 0.00 C ATOM 1936 CE1 TYR A 120 -7.839 -12.463 -5.997 1.00 0.00 C ATOM 1937 CE2 TYR A 120 -8.090 -10.093 -5.802 1.00 0.00 C ATOM 1938 CZ TYR A 120 -8.606 -11.327 -6.138 1.00 0.00 C ATOM 1939 OH TYR A 120 -9.892 -11.424 -6.617 1.00 0.00 O ATOM 0 H TYR A 120 -2.414 -11.051 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 120 -5.019 -10.509 -2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -4.206 -10.028 -4.869 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -3.961 -11.735 -5.180 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -5.949 -13.254 -5.407 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -6.397 -9.031 -5.062 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -8.245 -13.428 -6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -8.693 -9.204 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 120 -10.497 -10.920 -6.034 1.00 0.00 H new ATOM 1949 N ARG A 121 -4.259 -13.680 -2.877 1.00 0.00 N ATOM 1950 CA ARG A 121 -4.717 -15.031 -2.570 1.00 0.00 C ATOM 1951 C ARG A 121 -4.511 -15.356 -1.095 1.00 0.00 C ATOM 1952 O ARG A 121 -5.323 -16.049 -0.482 1.00 0.00 O ATOM 1953 CB ARG A 121 -3.978 -16.052 -3.437 1.00 0.00 C ATOM 1954 CG ARG A 121 -4.735 -17.356 -3.621 1.00 0.00 C ATOM 1955 CD ARG A 121 -5.720 -17.271 -4.777 1.00 0.00 C ATOM 1956 NE ARG A 121 -5.085 -16.795 -6.003 1.00 0.00 N ATOM 1957 CZ ARG A 121 -5.756 -16.318 -7.049 1.00 0.00 C ATOM 1958 NH1 ARG A 121 -7.081 -16.252 -7.022 1.00 0.00 N ATOM 1959 NH2 ARG A 121 -5.100 -15.905 -8.125 1.00 0.00 N ATOM 0 H ARG A 121 -3.280 -13.619 -3.156 1.00 0.00 H new ATOM 0 HA ARG A 121 -5.784 -15.083 -2.788 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.785 -15.613 -4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.009 -16.265 -2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -4.028 -18.166 -3.803 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.270 -17.600 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -6.158 -18.254 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -6.537 -16.602 -4.508 1.00 0.00 H new ATOM 0 HE ARG A 121 -4.067 -16.830 -6.061 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.591 -16.568 -6.197 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -7.590 -15.886 -7.826 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -4.081 -15.953 -8.151 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -5.614 -15.539 -8.927 1.00 0.00 H new ATOM 1973 N GLY A 122 -3.421 -14.850 -0.532 1.00 0.00 N ATOM 1974 CA GLY A 122 -3.127 -15.096 0.868 1.00 0.00 C ATOM 1975 C GLY A 122 -4.007 -14.282 1.795 1.00 0.00 C ATOM 1976 O GLY A 122 -4.477 -14.784 2.817 1.00 0.00 O ATOM 0 H GLY A 122 -2.735 -14.274 -1.019 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -3.260 -16.156 1.083 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -2.081 -14.860 1.064 1.00 0.00 H new ATOM 1980 N ALA A 123 -4.229 -13.022 1.438 1.00 0.00 N ATOM 1981 CA ALA A 123 -5.057 -12.132 2.243 1.00 0.00 C ATOM 1982 C ALA A 123 -6.534 -12.295 1.897 1.00 0.00 C ATOM 1983 O ALA A 123 -7.206 -11.333 1.526 1.00 0.00 O ATOM 1984 CB ALA A 123 -4.621 -10.689 2.045 1.00 0.00 C ATOM 0 H ALA A 123 -3.846 -12.593 0.595 1.00 0.00 H new ATOM 0 HA ALA A 123 -4.926 -12.399 3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -5.246 -10.034 2.651 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -3.580 -10.579 2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -4.724 -10.419 0.994 1.00 0.00 H new ATOM 1990 N ARG A 124 -7.033 -13.521 2.021 1.00 0.00 N ATOM 1991 CA ARG A 124 -8.432 -13.810 1.722 1.00 0.00 C ATOM 1992 C ARG A 124 -9.279 -13.766 2.989 1.00 0.00 C ATOM 1993 O ARG A 124 -10.028 -12.816 3.214 1.00 0.00 O ATOM 1994 CB ARG A 124 -8.558 -15.182 1.055 1.00 0.00 C ATOM 1995 CG ARG A 124 -8.451 -15.133 -0.460 1.00 0.00 C ATOM 1996 CD ARG A 124 -9.553 -15.942 -1.127 1.00 0.00 C ATOM 1997 NE ARG A 124 -9.409 -17.374 -0.876 1.00 0.00 N ATOM 1998 CZ ARG A 124 -8.560 -18.160 -1.535 1.00 0.00 C ATOM 1999 NH1 ARG A 124 -7.777 -17.658 -2.482 1.00 0.00 N ATOM 2000 NH2 ARG A 124 -8.492 -19.452 -1.244 1.00 0.00 N ATOM 0 H ARG A 124 -6.491 -14.329 2.326 1.00 0.00 H new ATOM 0 HA ARG A 124 -8.798 -13.046 1.037 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -7.781 -15.839 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -9.516 -15.624 1.329 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.506 -14.097 -0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.479 -15.517 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -10.523 -15.605 -0.760 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -9.538 -15.759 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.993 -17.796 -0.154 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.823 -16.665 -2.709 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.129 -18.266 -2.983 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -9.090 -19.843 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -7.842 -20.055 -1.748 1.00 0.00 H new ATOM 2014 N LYS A 125 -9.158 -14.803 3.813 1.00 0.00 N ATOM 2015 CA LYS A 125 -9.914 -14.882 5.057 1.00 0.00 C ATOM 2016 C LYS A 125 -9.005 -15.255 6.223 1.00 0.00 C ATOM 2017 O LYS A 125 -7.780 -15.263 6.091 1.00 0.00 O ATOM 2018 CB LYS A 125 -11.043 -15.906 4.926 1.00 0.00 C ATOM 2019 CG LYS A 125 -12.332 -15.481 5.611 1.00 0.00 C ATOM 2020 CD LYS A 125 -13.315 -14.875 4.623 1.00 0.00 C ATOM 2021 CE LYS A 125 -13.268 -13.355 4.651 1.00 0.00 C ATOM 2022 NZ LYS A 125 -14.364 -12.781 5.479 1.00 0.00 N ATOM 0 H LYS A 125 -8.544 -15.599 3.641 1.00 0.00 H new ATOM 0 HA LYS A 125 -10.344 -13.900 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -11.243 -16.080 3.869 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -10.713 -16.855 5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -12.788 -16.343 6.097 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -12.107 -14.756 6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -13.087 -15.229 3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -14.324 -15.213 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -12.306 -13.029 5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -13.342 -12.971 3.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -14.297 -11.743 5.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -15.283 -13.071 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -14.279 -13.127 6.456 1.00 0.00 H new ATOM 2036 N GLY A 126 -9.611 -15.564 7.364 1.00 0.00 N ATOM 2037 CA GLY A 126 -8.840 -15.934 8.537 1.00 0.00 C ATOM 2038 C GLY A 126 -9.616 -16.830 9.482 1.00 0.00 C ATOM 2039 O GLY A 126 -10.511 -16.369 10.191 1.00 0.00 O ATOM 0 H GLY A 126 -10.622 -15.565 7.498 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -7.929 -16.444 8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -8.534 -15.032 9.066 1.00 0.00 H new ATOM 2043 N ARG A 127 -9.272 -18.114 9.493 1.00 0.00 N ATOM 2044 CA ARG A 127 -9.943 -19.077 10.357 1.00 0.00 C ATOM 2045 C ARG A 127 -11.431 -19.158 10.031 1.00 0.00 C ATOM 2046 O ARG A 127 -12.004 -18.228 9.464 1.00 0.00 O ATOM 2047 CB ARG A 127 -9.751 -18.696 11.827 1.00 0.00 C ATOM 2048 CG ARG A 127 -8.502 -19.293 12.452 1.00 0.00 C ATOM 2049 CD ARG A 127 -8.811 -20.586 13.188 1.00 0.00 C ATOM 2050 NE ARG A 127 -7.636 -21.448 13.299 1.00 0.00 N ATOM 2051 CZ ARG A 127 -7.186 -22.217 12.310 1.00 0.00 C ATOM 2052 NH1 ARG A 127 -7.807 -22.234 11.137 1.00 0.00 N ATOM 2053 NH2 ARG A 127 -6.111 -22.970 12.493 1.00 0.00 N ATOM 0 H ARG A 127 -8.533 -18.511 8.913 1.00 0.00 H new ATOM 0 HA ARG A 127 -9.498 -20.056 10.181 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -9.705 -17.610 11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -10.623 -19.022 12.395 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -7.761 -19.483 11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.062 -18.575 13.144 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -9.186 -20.355 14.185 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -9.604 -21.120 12.665 1.00 0.00 H new ATOM 0 HE ARG A 127 -7.132 -21.461 14.185 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -8.634 -21.656 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -7.457 -22.825 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.628 -22.960 13.392 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -5.766 -23.559 11.735 1.00 0.00 H new ATOM 2067 N GLY A 128 -12.051 -20.277 10.394 1.00 0.00 N ATOM 2068 CA GLY A 128 -13.467 -20.458 10.131 1.00 0.00 C ATOM 2069 C GLY A 128 -14.321 -19.401 10.801 1.00 0.00 C ATOM 2070 O GLY A 128 -13.786 -18.654 11.648 1.00 0.02 O ATOM 2071 OXT GLY A 128 -15.525 -19.319 10.480 1.00 0.02 O ATOM 0 H GLY A 128 -11.599 -21.061 10.865 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -13.640 -20.432 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -13.775 -21.444 10.479 1.00 0.00 H new TER 2075 GLY A 128