USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 895 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 98 GLN : amide:sc= 0.863 K(o=3.1,f=-3.9) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 152:sc= 2.24 (180deg=0.149) USER MOD Set 2.1: A 85 MET CE :methyl 180:sc= -0.575 (180deg=-0.481) USER MOD Set 2.2: A 103 THR OG1 : rot -133:sc= -0.467 USER MOD Set 3.1: A 45 ASN : amide:sc= 2.57 K(o=3.2,f=-6.2!) USER MOD Set 3.2: A 66 THR OG1 : rot 8:sc= 0.807 USER MOD Set 3.3: A 68 MET CE :methyl -145:sc= -0.159 (180deg=-0.863) USER MOD Set 4.1: A 43 MET CE :methyl 176:sc= 0 (180deg=-0.0161) USER MOD Set 4.2: A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.257 (180deg=-0.984) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.111 (180deg=-0.329) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.381 USER MOD Single : A 6 GLN :FLIP amide:sc= -0.332 F(o=-2.6!,f=-0.33) USER MOD Single : A 8 GLN : amide:sc= -1.04 K(o=-1,f=-3.6!) USER MOD Single : A 9 HIS : no HD1:sc=-0.00453 X(o=-0.0045,f=-0.0045) USER MOD Single : A 10 HIS : no HD1:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 80:sc= -0.174 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -146:sc= -1.73 (180deg=-3.45) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 50:sc= 0.0287 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0406) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.0752 X(o=-0.075,f=-0.0038) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -174:sc= -1.14 (180deg=-1.22) USER MOD Single : A 69 MET CE :methyl -164:sc= 0 (180deg=-0.545) USER MOD Single : A 72 ASN : amide:sc= -0.809 K(o=-0.81,f=-1.7!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.926 X(o=-0.93,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 81 THR OG1 : rot -170:sc= -0.0158 USER MOD Single : A 83 SER OG : rot 115:sc= 1.36 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.1) USER MOD Single : A 95 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A 97 ASN : amide:sc=-0.00922 K(o=-0.0092,f=-1.4) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 169:sc= 0.159 (180deg=-0.199) USER MOD Single : A 106 GLN :FLIP amide:sc= -0.114 F(o=-0.97,f=-0.11) USER MOD Single : A 107 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 MET CE :methyl 174:sc= -0.251 (180deg=-0.378) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.429 -0.483 -7.564 1.00 0.00 N ATOM 2 CA MET A 1 15.476 -1.513 -7.155 1.00 0.00 C ATOM 3 C MET A 1 14.748 -1.206 -5.844 1.00 0.00 C ATOM 4 O MET A 1 14.128 -2.095 -5.255 1.00 0.00 O ATOM 5 CB MET A 1 16.173 -2.878 -7.078 1.00 0.00 C ATOM 6 CG MET A 1 17.131 -3.027 -5.889 1.00 0.00 C ATOM 7 SD MET A 1 18.836 -2.486 -6.181 1.00 0.00 S ATOM 8 CE MET A 1 18.889 -1.084 -5.040 1.00 0.00 C ATOM 0 H1 MET A 1 17.109 -0.888 -8.239 1.00 0.00 H new ATOM 0 H2 MET A 1 15.919 0.303 -8.015 1.00 0.00 H new ATOM 0 H3 MET A 1 16.939 -0.130 -6.729 1.00 0.00 H new ATOM 0 HA MET A 1 14.703 -1.532 -7.923 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.414 -3.658 -7.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.729 -3.043 -8.001 1.00 0.00 H new ATOM 0 HG2 MET A 1 16.729 -2.461 -5.049 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.148 -4.075 -5.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.553 -0.316 -5.438 1.00 0.00 H new ATOM 0 HE2 MET A 1 17.887 -0.672 -4.923 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.259 -1.418 -4.071 1.00 0.00 H new ATOM 18 N VAL A 2 14.842 0.050 -5.419 1.00 0.00 N ATOM 19 CA VAL A 2 14.444 0.632 -4.140 1.00 0.00 C ATOM 20 C VAL A 2 15.090 -0.112 -2.947 1.00 0.00 C ATOM 21 O VAL A 2 15.677 -1.183 -3.095 1.00 0.00 O ATOM 22 CB VAL A 2 12.902 0.829 -4.132 1.00 0.00 C ATOM 23 CG1 VAL A 2 12.058 -0.436 -4.034 1.00 0.00 C ATOM 24 CG2 VAL A 2 12.424 1.787 -3.050 1.00 0.00 C ATOM 0 H VAL A 2 15.243 0.763 -6.029 1.00 0.00 H new ATOM 0 HA VAL A 2 14.847 1.636 -4.007 1.00 0.00 H new ATOM 0 HB VAL A 2 12.742 1.251 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.001 -0.169 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.272 -1.083 -4.885 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.297 -0.962 -3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.339 1.880 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 2 12.711 1.403 -2.071 1.00 0.00 H new ATOM 0 HG23 VAL A 2 12.879 2.765 -3.203 1.00 0.00 H new ATOM 34 N THR A 3 15.062 0.465 -1.742 1.00 0.00 N ATOM 35 CA THR A 3 15.470 -0.241 -0.530 1.00 0.00 C ATOM 36 C THR A 3 14.391 -0.087 0.548 1.00 0.00 C ATOM 37 O THR A 3 13.623 0.877 0.519 1.00 0.00 O ATOM 38 CB THR A 3 16.888 0.183 -0.082 1.00 0.00 C ATOM 39 OG1 THR A 3 17.040 1.581 -0.011 1.00 0.00 O ATOM 40 CG2 THR A 3 17.950 -0.343 -1.043 1.00 0.00 C ATOM 0 H THR A 3 14.758 1.426 -1.583 1.00 0.00 H new ATOM 0 HA THR A 3 15.552 -1.309 -0.733 1.00 0.00 H new ATOM 0 HB THR A 3 17.017 -0.245 0.912 1.00 0.00 H new ATOM 0 HG1 THR A 3 17.951 1.797 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.937 -0.029 -0.702 1.00 0.00 H new ATOM 0 HG22 THR A 3 17.906 -1.432 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 3 17.767 0.055 -2.041 1.00 0.00 H new ATOM 48 N PRO A 4 14.313 -1.017 1.517 1.00 0.00 N ATOM 49 CA PRO A 4 13.357 -0.971 2.625 1.00 0.00 C ATOM 50 C PRO A 4 13.559 0.249 3.508 1.00 0.00 C ATOM 51 O PRO A 4 12.634 0.755 4.136 1.00 0.00 O ATOM 52 CB PRO A 4 13.563 -2.274 3.379 1.00 0.00 C ATOM 53 CG PRO A 4 15.003 -2.661 3.094 1.00 0.00 C ATOM 54 CD PRO A 4 15.152 -2.205 1.646 1.00 0.00 C ATOM 0 HA PRO A 4 12.332 -0.875 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 4 13.392 -2.144 4.448 1.00 0.00 H new ATOM 0 HB3 PRO A 4 12.871 -3.043 3.036 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.704 -2.156 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.171 -3.732 3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 4 16.192 -1.977 1.412 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.834 -2.986 0.955 1.00 0.00 H new ATOM 62 N GLU A 5 14.805 0.661 3.631 1.00 0.00 N ATOM 63 CA GLU A 5 15.219 1.899 4.271 1.00 0.00 C ATOM 64 C GLU A 5 14.459 3.122 3.720 1.00 0.00 C ATOM 65 O GLU A 5 14.040 3.971 4.507 1.00 0.00 O ATOM 66 CB GLU A 5 16.737 1.999 4.116 1.00 0.00 C ATOM 67 CG GLU A 5 17.362 2.784 5.270 1.00 0.00 C ATOM 68 CD GLU A 5 18.878 2.587 5.337 1.00 0.00 C ATOM 69 OE1 GLU A 5 19.315 1.411 5.412 1.00 0.00 O ATOM 70 OE2 GLU A 5 19.631 3.584 5.356 1.00 0.00 O ATOM 0 H GLU A 5 15.592 0.120 3.273 1.00 0.00 H new ATOM 0 HA GLU A 5 14.965 1.891 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.168 0.998 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.977 2.485 3.170 1.00 0.00 H new ATOM 0 HG2 GLU A 5 17.138 3.844 5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.912 2.467 6.211 1.00 0.00 H new ATOM 77 N GLN A 6 14.148 3.159 2.414 1.00 0.00 N ATOM 78 CA GLN A 6 13.313 4.205 1.803 1.00 0.00 C ATOM 79 C GLN A 6 11.821 4.056 2.177 1.00 0.00 C ATOM 80 O GLN A 6 10.971 4.708 1.573 1.00 0.00 O ATOM 81 CB GLN A 6 13.498 4.273 0.264 1.00 0.00 C ATOM 82 CG GLN A 6 14.967 4.199 -0.198 1.00 0.00 C ATOM 83 CD GLN A 6 15.288 4.702 -1.612 1.00 0.00 C ATOM 84 OE1 GLN A 6 14.423 4.462 -2.578 1.00 0.00 O flip ATOM 85 NE2 GLN A 6 16.360 5.247 -1.878 1.00 0.00 N flip ATOM 0 H GLN A 6 14.472 2.458 1.748 1.00 0.00 H new ATOM 0 HA GLN A 6 13.659 5.152 2.218 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.943 3.455 -0.194 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.059 5.201 -0.103 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.571 4.769 0.508 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.290 3.160 -0.128 1.00 0.00 H new ATOM 0 HE21 GLN A 6 17.034 5.436 -1.136 1.00 0.00 H new ATOM 0 HE22 GLN A 6 16.574 5.510 -2.840 1.00 0.00 H new ATOM 94 N LEU A 7 11.470 3.189 3.140 1.00 0.00 N ATOM 95 CA LEU A 7 10.096 2.831 3.489 1.00 0.00 C ATOM 96 C LEU A 7 9.869 2.781 4.998 1.00 0.00 C ATOM 97 O LEU A 7 8.918 3.398 5.456 1.00 0.00 O ATOM 98 CB LEU A 7 9.728 1.470 2.883 1.00 0.00 C ATOM 99 CG LEU A 7 9.664 1.433 1.344 1.00 0.00 C ATOM 100 CD1 LEU A 7 9.458 -0.019 0.886 1.00 0.00 C ATOM 101 CD2 LEU A 7 8.543 2.326 0.779 1.00 0.00 C ATOM 0 H LEU A 7 12.161 2.705 3.713 1.00 0.00 H new ATOM 0 HA LEU A 7 9.457 3.613 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.457 0.732 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.759 1.164 3.278 1.00 0.00 H new ATOM 0 HG LEU A 7 10.606 1.825 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.412 -0.054 -0.202 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.290 -0.632 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.526 -0.403 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 7 8.542 2.264 -0.309 1.00 0.00 H new ATOM 0 HD22 LEU A 7 7.580 1.988 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.713 3.359 1.083 1.00 0.00 H new ATOM 113 N GLN A 8 10.697 2.078 5.787 1.00 0.00 N ATOM 114 CA GLN A 8 10.539 1.857 7.243 1.00 0.00 C ATOM 115 C GLN A 8 10.351 3.126 8.096 1.00 0.00 C ATOM 116 O GLN A 8 10.056 3.021 9.289 1.00 0.00 O ATOM 117 CB GLN A 8 11.755 1.062 7.767 1.00 0.00 C ATOM 118 CG GLN A 8 11.576 -0.453 7.543 1.00 0.00 C ATOM 119 CD GLN A 8 12.859 -1.241 7.270 1.00 0.00 C ATOM 120 OE1 GLN A 8 13.008 -2.401 7.645 1.00 0.00 O ATOM 121 NE2 GLN A 8 13.759 -0.692 6.480 1.00 0.00 N ATOM 0 H GLN A 8 11.533 1.626 5.416 1.00 0.00 H new ATOM 0 HA GLN A 8 9.606 1.303 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 8 12.659 1.402 7.261 1.00 0.00 H new ATOM 0 HB3 GLN A 8 11.891 1.261 8.830 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.092 -0.877 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.896 -0.599 6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.641 0.271 6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 8 14.573 -1.230 6.183 1.00 0.00 H new ATOM 130 N HIS A 9 10.512 4.308 7.506 1.00 0.00 N ATOM 131 CA HIS A 9 10.322 5.600 8.155 1.00 0.00 C ATOM 132 C HIS A 9 9.439 6.554 7.334 1.00 0.00 C ATOM 133 O HIS A 9 9.301 7.715 7.717 1.00 0.00 O ATOM 134 CB HIS A 9 11.698 6.204 8.473 1.00 0.00 C ATOM 135 CG HIS A 9 12.500 5.361 9.438 1.00 0.00 C ATOM 136 ND1 HIS A 9 12.342 5.338 10.807 1.00 0.00 N ATOM 137 CD2 HIS A 9 13.456 4.432 9.115 1.00 0.00 C ATOM 138 CE1 HIS A 9 13.188 4.419 11.298 1.00 0.00 C ATOM 139 NE2 HIS A 9 13.885 3.838 10.307 1.00 0.00 N ATOM 0 H HIS A 9 10.788 4.394 6.528 1.00 0.00 H new ATOM 0 HA HIS A 9 9.777 5.446 9.086 1.00 0.00 H new ATOM 0 HB2 HIS A 9 12.261 6.322 7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 9 11.564 7.201 8.894 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.812 4.201 8.122 1.00 0.00 H new ATOM 0 HE1 HIS A 9 13.294 4.179 12.346 1.00 0.00 H new ATOM 0 HE2 HIS A 9 14.589 3.107 10.405 1.00 0.00 H new ATOM 147 N HIS A 10 8.831 6.095 6.234 1.00 0.00 N ATOM 148 CA HIS A 10 8.148 6.918 5.246 1.00 0.00 C ATOM 149 C HIS A 10 6.759 6.354 4.949 1.00 0.00 C ATOM 150 O HIS A 10 6.603 5.240 4.444 1.00 0.00 O ATOM 151 CB HIS A 10 9.002 7.029 3.977 1.00 0.00 C ATOM 152 CG HIS A 10 10.347 7.665 4.230 1.00 0.00 C ATOM 153 ND1 HIS A 10 10.568 8.957 4.655 1.00 0.00 N ATOM 154 CD2 HIS A 10 11.561 7.037 4.164 1.00 0.00 C ATOM 155 CE1 HIS A 10 11.893 9.104 4.815 1.00 0.00 C ATOM 156 NE2 HIS A 10 12.543 7.965 4.523 1.00 0.00 N ATOM 0 H HIS A 10 8.804 5.101 6.005 1.00 0.00 H new ATOM 0 HA HIS A 10 8.012 7.923 5.646 1.00 0.00 H new ATOM 0 HB2 HIS A 10 9.149 6.035 3.556 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.463 7.614 3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 10 11.730 6.008 3.884 1.00 0.00 H new ATOM 0 HE1 HIS A 10 12.373 10.017 5.136 1.00 0.00 H new ATOM 0 HE2 HIS A 10 13.550 7.809 4.557 1.00 0.00 H new ATOM 164 N ARG A 11 5.737 7.144 5.270 1.00 0.00 N ATOM 165 CA ARG A 11 4.350 6.900 4.879 1.00 0.00 C ATOM 166 C ARG A 11 4.221 7.124 3.383 1.00 0.00 C ATOM 167 O ARG A 11 4.936 7.949 2.813 1.00 0.00 O ATOM 168 CB ARG A 11 3.473 7.925 5.603 1.00 0.00 C ATOM 169 CG ARG A 11 1.942 7.837 5.448 1.00 0.00 C ATOM 170 CD ARG A 11 1.313 9.203 5.775 1.00 0.00 C ATOM 171 NE ARG A 11 1.839 9.751 7.031 1.00 0.00 N ATOM 172 CZ ARG A 11 1.534 9.357 8.268 1.00 0.00 C ATOM 173 NH1 ARG A 11 0.468 8.599 8.524 1.00 0.00 N ATOM 174 NH2 ARG A 11 2.327 9.739 9.259 1.00 0.00 N ATOM 0 H ARG A 11 5.853 7.993 5.823 1.00 0.00 H new ATOM 0 HA ARG A 11 4.049 5.883 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.701 7.861 6.667 1.00 0.00 H new ATOM 0 HB3 ARG A 11 3.781 8.916 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.685 7.541 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.542 7.072 6.113 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.512 9.900 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.230 9.098 5.848 1.00 0.00 H new ATOM 0 HE ARG A 11 2.510 10.515 6.949 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -0.142 8.303 7.762 1.00 0.00 H new ATOM 0 HH12 ARG A 11 0.263 8.315 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 11 3.144 10.318 9.064 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.120 9.454 10.216 1.00 0.00 H new ATOM 188 N PHE A 12 3.226 6.481 2.784 1.00 0.00 N ATOM 189 CA PHE A 12 2.745 6.827 1.466 1.00 0.00 C ATOM 190 C PHE A 12 1.246 6.751 1.451 1.00 0.00 C ATOM 191 O PHE A 12 0.610 6.006 2.196 1.00 0.00 O ATOM 192 CB PHE A 12 3.354 5.868 0.432 1.00 0.00 C ATOM 193 CG PHE A 12 4.831 6.059 0.157 1.00 0.00 C ATOM 194 CD1 PHE A 12 5.810 5.491 0.995 1.00 0.00 C ATOM 195 CD2 PHE A 12 5.226 6.816 -0.958 1.00 0.00 C ATOM 196 CE1 PHE A 12 7.173 5.716 0.734 1.00 0.00 C ATOM 197 CE2 PHE A 12 6.583 7.045 -1.218 1.00 0.00 C ATOM 198 CZ PHE A 12 7.557 6.493 -0.371 1.00 0.00 C ATOM 0 H PHE A 12 2.730 5.698 3.210 1.00 0.00 H new ATOM 0 HA PHE A 12 3.044 7.844 1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.195 4.845 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.810 5.980 -0.506 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.514 4.883 1.837 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.477 7.225 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.925 5.291 1.383 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.879 7.644 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.604 6.666 -0.570 1.00 0.00 H new ATOM 208 N VAL A 13 0.693 7.533 0.543 1.00 0.00 N ATOM 209 CA VAL A 13 -0.717 7.762 0.383 1.00 0.00 C ATOM 210 C VAL A 13 -1.228 7.603 -1.012 1.00 0.00 C ATOM 211 O VAL A 13 -0.625 8.133 -1.943 1.00 0.00 O ATOM 212 CB VAL A 13 -1.134 9.150 0.876 1.00 0.00 C ATOM 213 CG1 VAL A 13 -1.735 9.153 2.262 1.00 0.00 C ATOM 214 CG2 VAL A 13 0.008 10.155 0.878 1.00 0.00 C ATOM 0 H VAL A 13 1.252 8.050 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.165 6.979 0.994 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.893 9.446 0.152 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.005 10.172 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.627 8.526 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.008 8.763 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.355 11.118 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.804 9.800 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.394 10.269 -0.135 1.00 0.00 H new ATOM 224 N LEU A 14 -2.363 6.908 -1.104 1.00 0.00 N ATOM 225 CA LEU A 14 -2.943 6.520 -2.364 1.00 0.00 C ATOM 226 C LEU A 14 -3.360 7.748 -3.111 1.00 0.00 C ATOM 227 O LEU A 14 -4.255 8.481 -2.680 1.00 0.00 O ATOM 228 CB LEU A 14 -4.095 5.533 -2.187 1.00 0.00 C ATOM 229 CG LEU A 14 -4.150 4.638 -3.427 1.00 0.00 C ATOM 230 CD1 LEU A 14 -4.882 3.320 -3.162 1.00 0.00 C ATOM 231 CD2 LEU A 14 -4.715 5.304 -4.668 1.00 0.00 C ATOM 0 H LEU A 14 -2.900 6.602 -0.292 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.192 5.991 -2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.946 4.932 -1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.037 6.066 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.102 4.429 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.894 2.721 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.368 2.771 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.906 3.528 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.714 4.593 -5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.736 5.632 -4.472 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.101 6.166 -4.930 1.00 0.00 H new ATOM 243 N GLU A 15 -2.621 7.983 -4.189 1.00 0.00 N ATOM 244 CA GLU A 15 -2.701 9.215 -4.902 1.00 0.00 C ATOM 245 C GLU A 15 -3.696 9.046 -6.049 1.00 0.00 C ATOM 246 O GLU A 15 -4.640 9.824 -6.208 1.00 0.00 O ATOM 247 CB GLU A 15 -1.320 9.602 -5.463 1.00 0.00 C ATOM 248 CG GLU A 15 -0.767 10.861 -4.820 1.00 0.00 C ATOM 249 CD GLU A 15 -1.473 12.143 -5.269 1.00 0.00 C ATOM 250 OE1 GLU A 15 -1.029 12.735 -6.280 1.00 0.00 O ATOM 251 OE2 GLU A 15 -2.348 12.643 -4.530 1.00 0.00 O ATOM 0 H GLU A 15 -1.956 7.315 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.031 10.007 -4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.623 8.780 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.397 9.751 -6.540 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.850 10.772 -3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.295 10.941 -5.053 1.00 0.00 H new ATOM 258 N SER A 16 -3.477 7.998 -6.853 1.00 0.00 N ATOM 259 CA SER A 16 -4.459 7.524 -7.800 1.00 0.00 C ATOM 260 C SER A 16 -4.480 6.007 -7.832 1.00 0.00 C ATOM 261 O SER A 16 -3.478 5.340 -7.558 1.00 0.00 O ATOM 262 CB SER A 16 -4.240 8.138 -9.184 1.00 0.00 C ATOM 263 OG SER A 16 -3.045 7.685 -9.786 1.00 0.00 O ATOM 0 H SER A 16 -2.608 7.463 -6.855 1.00 0.00 H new ATOM 0 HA SER A 16 -5.445 7.853 -7.471 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.085 7.891 -9.827 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.212 9.224 -9.097 1.00 0.00 H new ATOM 0 HG SER A 16 -2.945 8.100 -10.668 1.00 0.00 H new ATOM 269 N VAL A 17 -5.654 5.465 -8.140 1.00 0.00 N ATOM 270 CA VAL A 17 -5.866 4.046 -8.298 1.00 0.00 C ATOM 271 C VAL A 17 -5.458 3.681 -9.736 1.00 0.00 C ATOM 272 O VAL A 17 -5.066 4.546 -10.525 1.00 0.00 O ATOM 273 CB VAL A 17 -7.335 3.711 -7.923 1.00 0.00 C ATOM 274 CG1 VAL A 17 -7.460 2.218 -7.608 1.00 0.00 C ATOM 275 CG2 VAL A 17 -7.840 4.455 -6.666 1.00 0.00 C ATOM 0 H VAL A 17 -6.497 6.019 -8.288 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.255 3.439 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.930 4.019 -8.783 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.492 1.987 -7.345 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.169 1.636 -8.483 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.808 1.967 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.873 4.171 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.218 4.189 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.785 5.531 -6.833 1.00 0.00 H new ATOM 285 N ASN A 18 -5.542 2.396 -10.095 1.00 0.00 N ATOM 286 CA ASN A 18 -5.171 1.874 -11.412 1.00 0.00 C ATOM 287 C ASN A 18 -5.788 2.625 -12.592 1.00 0.00 C ATOM 288 O ASN A 18 -5.161 2.687 -13.651 1.00 0.00 O ATOM 289 CB ASN A 18 -5.453 0.360 -11.498 1.00 0.00 C ATOM 290 CG ASN A 18 -6.892 -0.042 -11.809 1.00 0.00 C ATOM 291 OD1 ASN A 18 -7.110 -0.882 -12.672 1.00 0.00 O ATOM 292 ND2 ASN A 18 -7.879 0.470 -11.091 1.00 0.00 N ATOM 0 H ASN A 18 -5.879 1.672 -9.460 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.098 2.045 -11.504 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.805 -0.066 -12.264 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.167 -0.096 -10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.839 0.165 -11.253 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.680 1.169 -10.376 1.00 0.00 H new ATOM 299 N GLY A 19 -6.965 3.221 -12.399 1.00 0.00 N ATOM 300 CA GLY A 19 -7.595 4.117 -13.342 1.00 0.00 C ATOM 301 C GLY A 19 -7.448 5.556 -12.859 1.00 0.00 C ATOM 302 O GLY A 19 -6.603 6.286 -13.377 1.00 0.00 O ATOM 0 H GLY A 19 -7.516 3.082 -11.552 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.139 4.005 -14.326 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.650 3.865 -13.449 1.00 0.00 H new ATOM 306 N LYS A 20 -8.250 5.964 -11.870 1.00 0.00 N ATOM 307 CA LYS A 20 -8.430 7.361 -11.464 1.00 0.00 C ATOM 308 C LYS A 20 -8.151 7.574 -9.973 1.00 0.00 C ATOM 309 O LYS A 20 -8.065 6.601 -9.223 1.00 0.00 O ATOM 310 CB LYS A 20 -9.864 7.813 -11.815 1.00 0.00 C ATOM 311 CG LYS A 20 -9.947 8.545 -13.167 1.00 0.00 C ATOM 312 CD LYS A 20 -10.884 9.757 -13.070 1.00 0.00 C ATOM 313 CE LYS A 20 -10.860 10.546 -14.379 1.00 0.00 C ATOM 314 NZ LYS A 20 -11.598 11.822 -14.270 1.00 0.00 N ATOM 0 H LYS A 20 -8.807 5.314 -11.315 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.705 7.966 -12.009 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.519 6.942 -11.838 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.235 8.470 -11.028 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.952 8.871 -13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.307 7.861 -13.935 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.900 9.425 -12.855 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.577 10.399 -12.244 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.827 10.748 -14.662 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.296 9.942 -15.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.557 12.326 -15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.590 11.629 -14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.167 12.410 -13.529 1.00 0.00 H new ATOM 328 N PRO A 21 -7.992 8.834 -9.525 1.00 0.00 N ATOM 329 CA PRO A 21 -7.930 9.186 -8.112 1.00 0.00 C ATOM 330 C PRO A 21 -9.208 8.841 -7.351 1.00 0.00 C ATOM 331 O PRO A 21 -10.251 8.530 -7.930 1.00 0.00 O ATOM 332 CB PRO A 21 -7.599 10.681 -8.063 1.00 0.00 C ATOM 333 CG PRO A 21 -8.130 11.200 -9.392 1.00 0.00 C ATOM 334 CD PRO A 21 -7.863 10.036 -10.335 1.00 0.00 C ATOM 0 HA PRO A 21 -7.164 8.599 -7.605 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.081 11.172 -7.218 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.527 10.853 -7.963 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.191 11.442 -9.337 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.613 12.105 -9.709 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -8.575 10.030 -11.160 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -6.867 10.108 -10.773 1.00 0.00 H new ATOM 342 N VAL A 22 -9.100 8.910 -6.029 1.00 0.00 N ATOM 343 CA VAL A 22 -10.119 8.613 -5.037 1.00 0.00 C ATOM 344 C VAL A 22 -9.949 9.669 -3.937 1.00 0.00 C ATOM 345 O VAL A 22 -8.862 10.234 -3.803 1.00 0.00 O ATOM 346 CB VAL A 22 -9.920 7.153 -4.557 1.00 0.00 C ATOM 347 CG1 VAL A 22 -8.541 6.883 -3.927 1.00 0.00 C ATOM 348 CG2 VAL A 22 -11.013 6.708 -3.580 1.00 0.00 C ATOM 0 H VAL A 22 -8.225 9.199 -5.591 1.00 0.00 H new ATOM 0 HA VAL A 22 -11.141 8.667 -5.411 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.987 6.562 -5.471 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -8.481 5.840 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.760 7.090 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -8.405 7.528 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.829 5.678 -3.273 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.003 7.356 -2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.986 6.773 -4.068 1.00 0.00 H new ATOM 358 N THR A 23 -10.990 9.934 -3.149 1.00 0.00 N ATOM 359 CA THR A 23 -10.910 10.863 -2.032 1.00 0.00 C ATOM 360 C THR A 23 -11.823 10.357 -0.910 1.00 0.00 C ATOM 361 O THR A 23 -13.022 10.655 -0.867 1.00 0.00 O ATOM 362 CB THR A 23 -11.212 12.318 -2.468 1.00 0.00 C ATOM 363 OG1 THR A 23 -11.758 12.443 -3.777 1.00 0.00 O ATOM 364 CG2 THR A 23 -9.954 13.189 -2.420 1.00 0.00 C ATOM 0 H THR A 23 -11.910 9.509 -3.270 1.00 0.00 H new ATOM 0 HA THR A 23 -9.890 10.898 -1.650 1.00 0.00 H new ATOM 0 HB THR A 23 -11.961 12.653 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.921 13.389 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.202 14.204 -2.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 -9.563 13.208 -1.403 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.200 12.777 -3.091 1.00 0.00 H new ATOM 372 N SER A 24 -11.266 9.565 0.004 1.00 0.00 N ATOM 373 CA SER A 24 -11.953 9.004 1.168 1.00 0.00 C ATOM 374 C SER A 24 -12.101 10.068 2.261 1.00 0.00 C ATOM 375 O SER A 24 -11.748 9.852 3.423 1.00 0.00 O ATOM 376 CB SER A 24 -11.172 7.800 1.688 1.00 0.00 C ATOM 377 OG SER A 24 -11.078 6.782 0.716 1.00 0.00 O ATOM 0 H SER A 24 -10.286 9.285 -0.047 1.00 0.00 H new ATOM 0 HA SER A 24 -12.951 8.678 0.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 -10.171 8.115 1.984 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.659 7.408 2.581 1.00 0.00 H new ATOM 0 HG SER A 24 -10.369 7.004 0.077 1.00 0.00 H new ATOM 383 N ASP A 25 -12.591 11.244 1.874 1.00 0.00 N ATOM 384 CA ASP A 25 -12.643 12.481 2.637 1.00 0.00 C ATOM 385 C ASP A 25 -11.256 12.882 3.094 1.00 0.00 C ATOM 386 O ASP A 25 -10.580 13.662 2.423 1.00 0.00 O ATOM 387 CB ASP A 25 -13.676 12.403 3.780 1.00 0.00 C ATOM 388 CG ASP A 25 -14.951 13.139 3.424 1.00 0.00 C ATOM 389 OD1 ASP A 25 -15.399 13.071 2.258 1.00 0.00 O ATOM 390 OD2 ASP A 25 -15.518 13.796 4.319 1.00 0.00 O ATOM 0 H ASP A 25 -12.993 11.361 0.944 1.00 0.00 H new ATOM 0 HA ASP A 25 -12.997 13.280 1.986 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.905 11.359 3.995 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.249 12.830 4.688 1.00 0.00 H new ATOM 395 N LYS A 26 -10.831 12.320 4.216 1.00 0.00 N ATOM 396 CA LYS A 26 -9.668 12.677 5.009 1.00 0.00 C ATOM 397 C LYS A 26 -9.007 11.419 5.578 1.00 0.00 C ATOM 398 O LYS A 26 -8.046 11.509 6.347 1.00 0.00 O ATOM 399 CB LYS A 26 -10.174 13.622 6.097 1.00 0.00 C ATOM 400 CG LYS A 26 -9.115 14.618 6.587 1.00 0.00 C ATOM 401 CD LYS A 26 -9.903 15.791 7.160 1.00 0.00 C ATOM 402 CE LYS A 26 -9.061 16.760 7.977 1.00 0.00 C ATOM 403 NZ LYS A 26 -9.898 17.899 8.402 1.00 0.00 N ATOM 0 H LYS A 26 -11.336 11.535 4.629 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.897 13.171 4.417 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.032 14.175 5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.526 13.033 6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.472 14.168 7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.469 14.939 5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.373 16.335 6.341 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.706 15.404 7.788 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.647 16.253 8.849 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.218 17.115 7.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.324 18.562 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -10.272 18.387 7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.688 17.552 8.982 1.00 0.00 H new ATOM 417 N ASN A 27 -9.518 10.241 5.213 1.00 0.00 N ATOM 418 CA ASN A 27 -9.154 8.930 5.724 1.00 0.00 C ATOM 419 C ASN A 27 -8.695 8.091 4.531 1.00 0.00 C ATOM 420 O ASN A 27 -9.363 7.114 4.186 1.00 0.00 O ATOM 421 CB ASN A 27 -10.370 8.322 6.454 1.00 0.00 C ATOM 422 CG ASN A 27 -10.719 9.124 7.697 1.00 0.00 C ATOM 423 OD1 ASN A 27 -9.999 9.066 8.688 1.00 0.00 O ATOM 424 ND2 ASN A 27 -11.759 9.939 7.666 1.00 0.00 N ATOM 0 H ASN A 27 -10.247 10.181 4.503 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.341 8.975 6.449 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -11.227 8.297 5.781 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.153 7.291 6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.970 10.528 8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.351 9.979 6.836 1.00 0.00 H new ATOM 431 N PRO A 28 -7.603 8.483 3.845 1.00 0.00 N ATOM 432 CA PRO A 28 -7.181 7.841 2.606 1.00 0.00 C ATOM 433 C PRO A 28 -6.778 6.385 2.856 1.00 0.00 C ATOM 434 O PRO A 28 -6.380 6.060 3.985 1.00 0.00 O ATOM 435 CB PRO A 28 -5.980 8.656 2.114 1.00 0.00 C ATOM 436 CG PRO A 28 -5.394 9.220 3.405 1.00 0.00 C ATOM 437 CD PRO A 28 -6.644 9.513 4.224 1.00 0.00 C ATOM 0 HA PRO A 28 -7.985 7.818 1.871 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.260 8.033 1.583 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.283 9.448 1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.740 8.504 3.902 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.804 10.119 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.431 9.478 5.292 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -7.031 10.509 4.008 1.00 0.00 H new ATOM 445 N PRO A 29 -6.777 5.538 1.808 1.00 0.00 N ATOM 446 CA PRO A 29 -6.155 4.222 1.857 1.00 0.00 C ATOM 447 C PRO A 29 -4.629 4.362 1.860 1.00 0.00 C ATOM 448 O PRO A 29 -3.939 3.926 0.936 1.00 0.00 O ATOM 449 CB PRO A 29 -6.722 3.444 0.657 1.00 0.00 C ATOM 450 CG PRO A 29 -7.237 4.506 -0.308 1.00 0.00 C ATOM 451 CD PRO A 29 -7.445 5.761 0.532 1.00 0.00 C ATOM 0 HA PRO A 29 -6.380 3.671 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -5.954 2.828 0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.523 2.773 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.521 4.686 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -8.169 4.190 -0.777 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.031 6.635 0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.508 5.953 0.682 1.00 0.00 H new ATOM 459 N GLU A 30 -4.086 4.974 2.913 1.00 0.00 N ATOM 460 CA GLU A 30 -2.658 5.145 3.105 1.00 0.00 C ATOM 461 C GLU A 30 -2.049 3.773 3.459 1.00 0.00 C ATOM 462 O GLU A 30 -2.747 2.813 3.809 1.00 0.00 O ATOM 463 CB GLU A 30 -2.388 6.244 4.152 1.00 0.00 C ATOM 464 CG GLU A 30 -2.166 5.770 5.586 1.00 0.00 C ATOM 465 CD GLU A 30 -2.420 6.888 6.602 1.00 0.00 C ATOM 466 OE1 GLU A 30 -1.565 7.791 6.774 1.00 0.00 O ATOM 467 OE2 GLU A 30 -3.516 6.886 7.216 1.00 0.00 O ATOM 0 H GLU A 30 -4.645 5.371 3.669 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.171 5.491 2.193 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.510 6.808 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.230 6.936 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.828 4.930 5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.144 5.406 5.694 1.00 0.00 H new ATOM 474 N ILE A 31 -0.726 3.696 3.388 1.00 0.00 N ATOM 475 CA ILE A 31 0.081 2.574 3.809 1.00 0.00 C ATOM 476 C ILE A 31 1.285 3.178 4.518 1.00 0.00 C ATOM 477 O ILE A 31 1.738 4.279 4.179 1.00 0.00 O ATOM 478 CB ILE A 31 0.450 1.699 2.583 1.00 0.00 C ATOM 479 CG1 ILE A 31 0.816 0.272 3.031 1.00 0.00 C ATOM 480 CG2 ILE A 31 1.571 2.302 1.710 1.00 0.00 C ATOM 481 CD1 ILE A 31 1.087 -0.680 1.866 1.00 0.00 C ATOM 0 H ILE A 31 -0.163 4.460 3.014 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.439 1.901 4.490 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.438 1.665 1.952 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.699 0.315 3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.004 -0.130 3.637 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.777 1.637 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.255 3.275 1.333 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.474 2.421 2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.339 -1.667 2.254 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.197 -0.752 1.240 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.918 -0.301 1.272 1.00 0.00 H new ATOM 493 N SER A 32 1.844 2.460 5.475 1.00 0.00 N ATOM 494 CA SER A 32 3.137 2.790 5.994 1.00 0.00 C ATOM 495 C SER A 32 3.868 1.509 6.342 1.00 0.00 C ATOM 496 O SER A 32 3.345 0.393 6.241 1.00 0.00 O ATOM 497 CB SER A 32 2.977 3.775 7.148 1.00 0.00 C ATOM 498 OG SER A 32 2.183 3.286 8.216 1.00 0.00 O ATOM 0 H SER A 32 1.411 1.642 5.904 1.00 0.00 H new ATOM 0 HA SER A 32 3.758 3.299 5.257 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.964 4.034 7.531 1.00 0.00 H new ATOM 0 HB3 SER A 32 2.531 4.695 6.769 1.00 0.00 H new ATOM 0 HG SER A 32 2.125 3.967 8.919 1.00 0.00 H new ATOM 504 N PHE A 33 5.119 1.698 6.719 1.00 0.00 N ATOM 505 CA PHE A 33 6.061 0.646 6.969 1.00 0.00 C ATOM 506 C PHE A 33 6.797 1.023 8.257 1.00 0.00 C ATOM 507 O PHE A 33 6.741 2.173 8.716 1.00 0.00 O ATOM 508 CB PHE A 33 6.976 0.567 5.742 1.00 0.00 C ATOM 509 CG PHE A 33 6.316 0.363 4.390 1.00 0.00 C ATOM 510 CD1 PHE A 33 6.013 -0.942 3.967 1.00 0.00 C ATOM 511 CD2 PHE A 33 6.082 1.449 3.521 1.00 0.00 C ATOM 512 CE1 PHE A 33 5.509 -1.168 2.677 1.00 0.00 C ATOM 513 CE2 PHE A 33 5.580 1.217 2.226 1.00 0.00 C ATOM 514 CZ PHE A 33 5.312 -0.097 1.797 1.00 0.00 C ATOM 0 H PHE A 33 5.513 2.628 6.862 1.00 0.00 H new ATOM 0 HA PHE A 33 5.615 -0.338 7.110 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.559 1.487 5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 33 7.681 -0.250 5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.169 -1.774 4.637 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.288 2.457 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.272 -2.173 2.361 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.400 2.048 1.561 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.956 -0.278 0.794 1.00 0.00 H new ATOM 524 N GLY A 34 7.484 0.066 8.856 1.00 0.00 N ATOM 525 CA GLY A 34 8.287 0.260 10.041 1.00 0.00 C ATOM 526 C GLY A 34 8.630 -1.081 10.663 1.00 0.00 C ATOM 527 O GLY A 34 8.412 -2.141 10.075 1.00 0.00 O ATOM 0 H GLY A 34 7.496 -0.896 8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.201 0.796 9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.746 0.875 10.760 1.00 0.00 H new ATOM 531 N GLU A 35 9.166 -1.017 11.880 1.00 0.00 N ATOM 532 CA GLU A 35 9.612 -2.153 12.676 1.00 0.00 C ATOM 533 C GLU A 35 10.764 -2.859 11.978 1.00 0.00 C ATOM 534 O GLU A 35 11.915 -2.505 12.241 1.00 0.00 O ATOM 535 CB GLU A 35 8.420 -3.059 13.083 1.00 0.00 C ATOM 536 CG GLU A 35 7.994 -2.688 14.501 1.00 0.00 C ATOM 537 CD GLU A 35 6.534 -2.979 14.852 1.00 0.00 C ATOM 538 OE1 GLU A 35 6.090 -4.146 14.775 1.00 0.00 O ATOM 539 OE2 GLU A 35 5.879 -2.024 15.333 1.00 0.00 O ATOM 0 H GLU A 35 9.307 -0.127 12.359 1.00 0.00 H new ATOM 0 HA GLU A 35 10.018 -1.809 13.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.589 -2.926 12.390 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.709 -4.109 13.036 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.631 -3.224 15.204 1.00 0.00 H new ATOM 0 HG3 GLU A 35 8.179 -1.624 14.650 1.00 0.00 H new ATOM 546 N LYS A 36 10.475 -3.791 11.070 1.00 0.00 N ATOM 547 CA LYS A 36 11.409 -4.622 10.356 1.00 0.00 C ATOM 548 C LYS A 36 10.821 -5.074 9.034 1.00 0.00 C ATOM 549 O LYS A 36 10.452 -6.245 8.867 1.00 0.00 O ATOM 550 CB LYS A 36 11.816 -5.846 11.183 1.00 0.00 C ATOM 551 CG LYS A 36 12.494 -5.465 12.503 1.00 0.00 C ATOM 552 CD LYS A 36 13.232 -6.624 13.159 1.00 0.00 C ATOM 553 CE LYS A 36 14.582 -6.833 12.469 1.00 0.00 C ATOM 554 NZ LYS A 36 15.544 -7.480 13.375 1.00 0.00 N ATOM 0 H LYS A 36 9.510 -3.989 10.805 1.00 0.00 H new ATOM 0 HA LYS A 36 12.299 -4.022 10.167 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.932 -6.448 11.393 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.493 -6.467 10.597 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.197 -4.653 12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.741 -5.086 13.194 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.382 -6.419 14.219 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.634 -7.533 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 36 14.448 -7.446 11.578 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.978 -5.873 12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.451 -7.610 12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.688 -6.882 14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.174 -8.406 13.670 1.00 0.00 H new ATOM 568 N MET A 37 10.720 -4.150 8.089 1.00 0.00 N ATOM 569 CA MET A 37 10.144 -4.390 6.775 1.00 0.00 C ATOM 570 C MET A 37 8.717 -4.944 6.935 1.00 0.00 C ATOM 571 O MET A 37 8.216 -5.661 6.076 1.00 0.00 O ATOM 572 CB MET A 37 11.099 -5.249 5.928 1.00 0.00 C ATOM 573 CG MET A 37 11.243 -4.713 4.501 1.00 0.00 C ATOM 574 SD MET A 37 9.968 -5.215 3.321 1.00 0.00 S ATOM 575 CE MET A 37 8.655 -3.991 3.560 1.00 0.00 C ATOM 0 H MET A 37 11.044 -3.191 8.218 1.00 0.00 H new ATOM 0 HA MET A 37 10.034 -3.463 6.213 1.00 0.00 H new ATOM 0 HB2 MET A 37 12.079 -5.278 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.730 -6.274 5.894 1.00 0.00 H new ATOM 0 HG2 MET A 37 11.258 -3.624 4.545 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.211 -5.030 4.113 1.00 0.00 H new ATOM 0 HE1 MET A 37 7.685 -4.464 3.409 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.710 -3.591 4.572 1.00 0.00 H new ATOM 0 HE3 MET A 37 8.779 -3.180 2.842 1.00 0.00 H new ATOM 585 N MET A 38 8.045 -4.622 8.046 1.00 0.00 N ATOM 586 CA MET A 38 6.646 -4.954 8.216 1.00 0.00 C ATOM 587 C MET A 38 5.816 -4.010 7.330 1.00 0.00 C ATOM 588 O MET A 38 6.328 -2.984 6.866 1.00 0.00 O ATOM 589 CB MET A 38 6.253 -4.843 9.690 1.00 0.00 C ATOM 590 CG MET A 38 6.445 -6.180 10.415 1.00 0.00 C ATOM 591 SD MET A 38 5.324 -6.425 11.811 1.00 0.00 S ATOM 592 CE MET A 38 3.789 -6.857 10.942 1.00 0.00 C ATOM 0 H MET A 38 8.459 -4.130 8.838 1.00 0.00 H new ATOM 0 HA MET A 38 6.455 -5.983 7.912 1.00 0.00 H new ATOM 0 HB2 MET A 38 6.856 -4.074 10.173 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.212 -4.529 9.769 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.304 -6.992 9.702 1.00 0.00 H new ATOM 0 HG3 MET A 38 7.473 -6.244 10.772 1.00 0.00 H new ATOM 0 HE1 MET A 38 2.998 -7.039 11.669 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.498 -6.036 10.287 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.948 -7.756 10.347 1.00 0.00 H new ATOM 602 N ILE A 39 4.542 -4.331 7.094 1.00 0.00 N ATOM 603 CA ILE A 39 3.661 -3.535 6.243 1.00 0.00 C ATOM 604 C ILE A 39 2.311 -3.405 6.945 1.00 0.00 C ATOM 605 O ILE A 39 1.749 -4.426 7.354 1.00 0.00 O ATOM 606 CB ILE A 39 3.501 -4.203 4.854 1.00 0.00 C ATOM 607 CG1 ILE A 39 4.833 -4.612 4.188 1.00 0.00 C ATOM 608 CG2 ILE A 39 2.690 -3.268 3.932 1.00 0.00 C ATOM 609 CD1 ILE A 39 4.632 -5.472 2.938 1.00 0.00 C ATOM 0 H ILE A 39 4.092 -5.156 7.491 1.00 0.00 H new ATOM 0 HA ILE A 39 4.088 -2.545 6.081 1.00 0.00 H new ATOM 0 HB ILE A 39 2.967 -5.140 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.391 -3.715 3.920 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.440 -5.161 4.908 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.574 -3.733 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.707 -3.090 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 39 3.215 -2.319 3.823 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.602 -5.729 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.100 -6.385 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.050 -4.916 2.203 1.00 0.00 H new ATOM 621 N SER A 40 1.741 -2.198 6.983 1.00 0.00 N ATOM 622 CA SER A 40 0.432 -1.906 7.563 1.00 0.00 C ATOM 623 C SER A 40 -0.275 -0.860 6.689 1.00 0.00 C ATOM 624 O SER A 40 0.382 0.026 6.144 1.00 0.00 O ATOM 625 CB SER A 40 0.710 -1.399 8.982 1.00 0.00 C ATOM 626 OG SER A 40 -0.429 -1.112 9.775 1.00 0.00 O ATOM 0 H SER A 40 2.195 -1.370 6.597 1.00 0.00 H new ATOM 0 HA SER A 40 -0.227 -2.773 7.606 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.311 -2.145 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.316 -0.495 8.911 1.00 0.00 H new ATOM 0 HG SER A 40 -0.142 -0.799 10.658 1.00 0.00 H new ATOM 632 N GLY A 41 -1.601 -0.940 6.544 1.00 0.00 N ATOM 633 CA GLY A 41 -2.385 0.021 5.774 1.00 0.00 C ATOM 634 C GLY A 41 -3.877 -0.300 5.839 1.00 0.00 C ATOM 635 O GLY A 41 -4.296 -1.220 6.555 1.00 0.00 O ATOM 0 H GLY A 41 -2.162 -1.682 6.963 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.210 1.026 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.054 0.014 4.735 1.00 0.00 H new ATOM 639 N SER A 42 -4.693 0.467 5.110 1.00 0.00 N ATOM 640 CA SER A 42 -6.147 0.393 5.203 1.00 0.00 C ATOM 641 C SER A 42 -6.819 0.605 3.836 1.00 0.00 C ATOM 642 O SER A 42 -7.308 1.692 3.558 1.00 0.00 O ATOM 643 CB SER A 42 -6.605 1.387 6.290 1.00 0.00 C ATOM 644 OG SER A 42 -6.101 2.705 6.090 1.00 0.00 O ATOM 0 H SER A 42 -4.359 1.158 4.438 1.00 0.00 H new ATOM 0 HA SER A 42 -6.463 -0.607 5.501 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.694 1.420 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.281 1.024 7.265 1.00 0.00 H new ATOM 0 HG SER A 42 -6.278 2.986 5.168 1.00 0.00 H new ATOM 650 N MET A 43 -6.880 -0.425 2.974 1.00 0.00 N ATOM 651 CA MET A 43 -7.630 -0.314 1.712 1.00 0.00 C ATOM 652 C MET A 43 -9.113 -0.112 2.005 1.00 0.00 C ATOM 653 O MET A 43 -9.668 0.919 1.646 1.00 0.00 O ATOM 654 CB MET A 43 -7.451 -1.532 0.797 1.00 0.00 C ATOM 655 CG MET A 43 -6.265 -1.400 -0.163 1.00 0.00 C ATOM 656 SD MET A 43 -6.161 0.110 -1.166 1.00 0.00 S ATOM 657 CE MET A 43 -4.965 -0.449 -2.408 1.00 0.00 C ATOM 0 H MET A 43 -6.428 -1.327 3.124 1.00 0.00 H new ATOM 0 HA MET A 43 -7.225 0.548 1.182 1.00 0.00 H new ATOM 0 HB2 MET A 43 -7.315 -2.422 1.411 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.363 -1.680 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.349 -1.479 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.285 -2.253 -0.841 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.829 0.330 -3.158 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.011 -0.659 -1.925 1.00 0.00 H new ATOM 0 HE3 MET A 43 -5.336 -1.355 -2.888 1.00 0.00 H new ATOM 667 N CYS A 44 -9.724 -1.073 2.704 1.00 0.00 N ATOM 668 CA CYS A 44 -10.866 -0.816 3.562 1.00 0.00 C ATOM 669 C CYS A 44 -10.582 -1.425 4.922 1.00 0.00 C ATOM 670 O CYS A 44 -10.433 -0.703 5.907 1.00 0.00 O ATOM 671 CB CYS A 44 -12.177 -1.307 2.962 1.00 0.00 C ATOM 672 SG CYS A 44 -13.617 -0.901 3.972 1.00 0.00 S ATOM 0 H CYS A 44 -9.434 -2.051 2.685 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.001 0.260 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.302 -0.871 1.971 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.127 -2.388 2.830 1.00 0.00 H new ATOM 677 N ASN A 45 -10.493 -2.751 4.975 1.00 0.00 N ATOM 678 CA ASN A 45 -10.817 -3.493 6.191 1.00 0.00 C ATOM 679 C ASN A 45 -9.641 -3.661 7.156 1.00 0.00 C ATOM 680 O ASN A 45 -9.642 -4.566 7.994 1.00 0.00 O ATOM 681 CB ASN A 45 -11.395 -4.865 5.828 1.00 0.00 C ATOM 682 CG ASN A 45 -12.700 -5.057 6.552 1.00 0.00 C ATOM 683 OD1 ASN A 45 -12.762 -5.001 7.771 1.00 0.00 O ATOM 684 ND2 ASN A 45 -13.773 -5.202 5.808 1.00 0.00 N ATOM 0 H ASN A 45 -10.200 -3.334 4.191 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.557 -2.893 6.721 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.549 -4.935 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.694 -5.653 6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.692 -5.271 6.246 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.687 -5.245 4.793 1.00 0.00 H new ATOM 691 N ARG A 46 -8.627 -2.806 7.001 1.00 0.00 N ATOM 692 CA ARG A 46 -7.238 -2.946 7.429 1.00 0.00 C ATOM 693 C ARG A 46 -6.585 -4.190 6.848 1.00 0.00 C ATOM 694 O ARG A 46 -7.244 -5.101 6.358 1.00 0.00 O ATOM 695 CB ARG A 46 -7.148 -2.932 8.957 1.00 0.00 C ATOM 696 CG ARG A 46 -7.296 -1.524 9.526 1.00 0.00 C ATOM 697 CD ARG A 46 -5.947 -0.869 9.822 1.00 0.00 C ATOM 698 NE ARG A 46 -5.361 -1.401 11.063 1.00 0.00 N ATOM 699 CZ ARG A 46 -5.585 -0.952 12.305 1.00 0.00 C ATOM 700 NH1 ARG A 46 -6.257 0.170 12.530 1.00 0.00 N ATOM 701 NH2 ARG A 46 -5.146 -1.657 13.336 1.00 0.00 N ATOM 0 H ARG A 46 -8.775 -1.915 6.527 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.683 -2.091 7.042 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.925 -3.574 9.372 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.190 -3.350 9.267 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.849 -0.906 8.819 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.885 -1.566 10.442 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.264 -1.043 8.990 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.074 0.210 9.910 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.721 -2.190 10.968 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.618 0.714 11.746 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.413 0.488 13.487 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.644 -2.531 13.179 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.310 -1.326 14.287 1.00 0.00 H new ATOM 715 N PHE A 47 -5.262 -4.196 6.892 1.00 0.00 N ATOM 716 CA PHE A 47 -4.412 -5.322 6.550 1.00 0.00 C ATOM 717 C PHE A 47 -3.069 -5.098 7.239 1.00 0.00 C ATOM 718 O PHE A 47 -2.765 -3.984 7.696 1.00 0.00 O ATOM 719 CB PHE A 47 -4.312 -5.443 5.017 1.00 0.00 C ATOM 720 CG PHE A 47 -3.652 -4.283 4.296 1.00 0.00 C ATOM 721 CD1 PHE A 47 -2.268 -4.301 4.087 1.00 0.00 C ATOM 722 CD2 PHE A 47 -4.413 -3.197 3.819 1.00 0.00 C ATOM 723 CE1 PHE A 47 -1.629 -3.229 3.444 1.00 0.00 C ATOM 724 CE2 PHE A 47 -3.781 -2.148 3.124 1.00 0.00 C ATOM 725 CZ PHE A 47 -2.388 -2.159 2.943 1.00 0.00 C ATOM 0 H PHE A 47 -4.728 -3.376 7.181 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.817 -6.273 6.897 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.760 -6.352 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.318 -5.568 4.617 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.687 -5.147 4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.480 -3.169 3.986 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -0.555 -3.227 3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.369 -1.333 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.903 -1.348 2.421 1.00 0.00 H new ATOM 735 N SER A 48 -2.280 -6.161 7.358 1.00 0.00 N ATOM 736 CA SER A 48 -0.989 -6.137 8.022 1.00 0.00 C ATOM 737 C SER A 48 -0.242 -7.432 7.708 1.00 0.00 C ATOM 738 O SER A 48 -0.874 -8.494 7.676 1.00 0.00 O ATOM 739 CB SER A 48 -1.198 -5.974 9.531 1.00 0.00 C ATOM 740 OG SER A 48 -2.322 -6.677 10.035 1.00 0.00 O ATOM 0 H SER A 48 -2.528 -7.078 6.988 1.00 0.00 H new ATOM 0 HA SER A 48 -0.394 -5.297 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.304 -6.318 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.312 -4.914 9.760 1.00 0.00 H new ATOM 0 HG SER A 48 -2.394 -6.530 11.001 1.00 0.00 H new ATOM 746 N GLY A 49 1.080 -7.409 7.507 1.00 0.00 N ATOM 747 CA GLY A 49 1.796 -8.618 7.159 1.00 0.00 C ATOM 748 C GLY A 49 3.291 -8.383 7.198 1.00 0.00 C ATOM 749 O GLY A 49 3.764 -7.246 7.306 1.00 0.00 O ATOM 0 H GLY A 49 1.660 -6.573 7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.530 -9.417 7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.500 -8.948 6.163 1.00 0.00 H new ATOM 753 N GLU A 50 4.022 -9.485 7.105 1.00 0.00 N ATOM 754 CA GLU A 50 5.468 -9.494 7.074 1.00 0.00 C ATOM 755 C GLU A 50 5.867 -9.219 5.639 1.00 0.00 C ATOM 756 O GLU A 50 5.756 -10.094 4.775 1.00 0.00 O ATOM 757 CB GLU A 50 5.994 -10.851 7.536 1.00 0.00 C ATOM 758 CG GLU A 50 5.740 -11.056 9.030 1.00 0.00 C ATOM 759 CD GLU A 50 5.943 -12.516 9.415 1.00 0.00 C ATOM 760 OE1 GLU A 50 5.227 -13.402 8.883 1.00 0.00 O ATOM 761 OE2 GLU A 50 6.816 -12.820 10.253 1.00 0.00 O ATOM 0 H GLU A 50 3.611 -10.417 7.048 1.00 0.00 H new ATOM 0 HA GLU A 50 5.888 -8.742 7.742 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.509 -11.646 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.063 -10.920 7.332 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.415 -10.425 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.724 -10.747 9.277 1.00 0.00 H new ATOM 768 N GLY A 51 6.280 -7.988 5.384 1.00 0.00 N ATOM 769 CA GLY A 51 6.983 -7.656 4.156 1.00 0.00 C ATOM 770 C GLY A 51 8.334 -8.359 4.037 1.00 0.00 C ATOM 771 O GLY A 51 8.877 -8.927 4.990 1.00 0.00 O ATOM 0 H GLY A 51 6.139 -7.199 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.361 -7.927 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.135 -6.578 4.110 1.00 0.00 H new ATOM 775 N LYS A 52 8.894 -8.308 2.831 1.00 0.00 N ATOM 776 CA LYS A 52 10.285 -8.607 2.525 1.00 0.00 C ATOM 777 C LYS A 52 10.612 -7.796 1.278 1.00 0.00 C ATOM 778 O LYS A 52 9.759 -7.725 0.393 1.00 0.00 O ATOM 779 CB LYS A 52 10.442 -10.113 2.264 1.00 0.00 C ATOM 780 CG LYS A 52 11.895 -10.496 1.962 1.00 0.00 C ATOM 781 CD LYS A 52 11.995 -11.964 1.543 1.00 0.00 C ATOM 782 CE LYS A 52 13.439 -12.433 1.347 1.00 0.00 C ATOM 783 NZ LYS A 52 14.112 -11.676 0.272 1.00 0.00 N ATOM 0 H LYS A 52 8.362 -8.044 2.002 1.00 0.00 H new ATOM 0 HA LYS A 52 10.957 -8.352 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.094 -10.670 3.134 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.809 -10.403 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.286 -9.859 1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.512 -10.322 2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.517 -12.586 2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 52 11.442 -12.110 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.991 -12.313 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.448 -13.496 1.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.059 -12.074 0.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.552 -11.742 -0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.200 -10.678 0.553 1.00 0.00 H new ATOM 797 N LEU A 53 11.809 -7.212 1.198 1.00 0.00 N ATOM 798 CA LEU A 53 12.258 -6.423 0.052 1.00 0.00 C ATOM 799 C LEU A 53 13.735 -6.698 -0.182 1.00 0.00 C ATOM 800 O LEU A 53 14.525 -6.705 0.763 1.00 0.00 O ATOM 801 CB LEU A 53 12.026 -4.926 0.311 1.00 0.00 C ATOM 802 CG LEU A 53 12.513 -3.972 -0.802 1.00 0.00 C ATOM 803 CD1 LEU A 53 12.112 -4.360 -2.228 1.00 0.00 C ATOM 804 CD2 LEU A 53 11.926 -2.580 -0.538 1.00 0.00 C ATOM 0 H LEU A 53 12.505 -7.276 1.941 1.00 0.00 H new ATOM 0 HA LEU A 53 11.689 -6.704 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.959 -4.763 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.525 -4.655 1.241 1.00 0.00 H new ATOM 0 HG LEU A 53 13.601 -4.014 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 53 12.505 -3.624 -2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.520 -5.342 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.025 -4.390 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.259 -1.891 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.838 -2.637 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.264 -2.221 0.434 1.00 0.00 H new ATOM 816 N SER A 54 14.098 -6.944 -1.435 1.00 0.00 N ATOM 817 CA SER A 54 15.453 -7.179 -1.888 1.00 0.00 C ATOM 818 C SER A 54 15.621 -6.685 -3.338 1.00 0.00 C ATOM 819 O SER A 54 16.651 -6.095 -3.654 1.00 0.00 O ATOM 820 CB SER A 54 15.723 -8.686 -1.734 1.00 0.00 C ATOM 821 OG SER A 54 17.076 -8.964 -1.430 1.00 0.00 O ATOM 0 H SER A 54 13.419 -6.986 -2.195 1.00 0.00 H new ATOM 0 HA SER A 54 16.182 -6.624 -1.297 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.087 -9.087 -0.945 1.00 0.00 H new ATOM 0 HB3 SER A 54 15.448 -9.197 -2.657 1.00 0.00 H new ATOM 0 HG SER A 54 17.199 -9.932 -1.340 1.00 0.00 H new ATOM 827 N ASN A 55 14.612 -6.874 -4.205 1.00 0.00 N ATOM 828 CA ASN A 55 14.809 -6.908 -5.662 1.00 0.00 C ATOM 829 C ASN A 55 13.960 -5.911 -6.468 1.00 0.00 C ATOM 830 O ASN A 55 13.918 -6.004 -7.694 1.00 0.00 O ATOM 831 CB ASN A 55 14.508 -8.337 -6.151 1.00 0.00 C ATOM 832 CG ASN A 55 15.381 -8.688 -7.342 1.00 0.00 C ATOM 833 OD1 ASN A 55 16.512 -9.128 -7.154 1.00 0.00 O ATOM 834 ND2 ASN A 55 14.887 -8.565 -8.556 1.00 0.00 N ATOM 0 H ASN A 55 13.643 -7.007 -3.917 1.00 0.00 H new ATOM 0 HA ASN A 55 15.842 -6.608 -5.837 1.00 0.00 H new ATOM 0 HB2 ASN A 55 14.682 -9.048 -5.343 1.00 0.00 H new ATOM 0 HB3 ASN A 55 13.457 -8.419 -6.427 1.00 0.00 H new ATOM 0 HD21 ASN A 55 15.446 -8.838 -9.364 1.00 0.00 H new ATOM 0 HD22 ASN A 55 13.945 -8.197 -8.688 1.00 0.00 H new ATOM 841 N GLY A 56 13.227 -5.004 -5.818 1.00 0.00 N ATOM 842 CA GLY A 56 12.174 -4.226 -6.481 1.00 0.00 C ATOM 843 C GLY A 56 10.816 -4.917 -6.408 1.00 0.00 C ATOM 844 O GLY A 56 9.873 -4.525 -7.095 1.00 0.00 O ATOM 0 H GLY A 56 13.343 -4.788 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.105 -3.242 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.444 -4.068 -7.525 1.00 0.00 H new ATOM 848 N GLU A 57 10.701 -5.940 -5.559 1.00 0.00 N ATOM 849 CA GLU A 57 9.490 -6.701 -5.348 1.00 0.00 C ATOM 850 C GLU A 57 9.216 -6.794 -3.853 1.00 0.00 C ATOM 851 O GLU A 57 10.143 -6.949 -3.052 1.00 0.00 O ATOM 852 CB GLU A 57 9.673 -8.077 -5.989 1.00 0.00 C ATOM 853 CG GLU A 57 8.464 -9.001 -5.777 1.00 0.00 C ATOM 854 CD GLU A 57 8.637 -10.323 -6.510 1.00 0.00 C ATOM 855 OE1 GLU A 57 9.556 -11.097 -6.147 1.00 0.00 O ATOM 856 OE2 GLU A 57 7.874 -10.581 -7.463 1.00 0.00 O ATOM 0 H GLU A 57 11.480 -6.264 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 57 8.628 -6.219 -5.810 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.847 -7.954 -7.058 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.563 -8.550 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.331 -9.189 -4.712 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.559 -8.505 -6.128 1.00 0.00 H new ATOM 863 N LEU A 58 7.937 -6.764 -3.498 1.00 0.00 N ATOM 864 CA LEU A 58 7.418 -6.859 -2.151 1.00 0.00 C ATOM 865 C LEU A 58 6.360 -7.954 -2.109 1.00 0.00 C ATOM 866 O LEU A 58 5.753 -8.302 -3.117 1.00 0.00 O ATOM 867 CB LEU A 58 6.820 -5.493 -1.778 1.00 0.00 C ATOM 868 CG LEU A 58 6.912 -5.142 -0.291 1.00 0.00 C ATOM 869 CD1 LEU A 58 8.344 -4.710 0.004 1.00 0.00 C ATOM 870 CD2 LEU A 58 5.986 -3.988 0.120 1.00 0.00 C ATOM 0 H LEU A 58 7.194 -6.667 -4.190 1.00 0.00 H new ATOM 0 HA LEU A 58 8.201 -7.113 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.329 -4.719 -2.353 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.772 -5.476 -2.078 1.00 0.00 H new ATOM 0 HG LEU A 58 6.609 -6.026 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.437 -4.454 1.059 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.026 -5.526 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.594 -3.840 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.101 -3.791 1.186 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.247 -3.093 -0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.951 -4.260 -0.089 1.00 0.00 H new ATOM 882 N THR A 59 6.089 -8.469 -0.923 1.00 0.00 N ATOM 883 CA THR A 59 4.999 -9.388 -0.618 1.00 0.00 C ATOM 884 C THR A 59 4.451 -8.992 0.758 1.00 0.00 C ATOM 885 O THR A 59 5.043 -8.142 1.425 1.00 0.00 O ATOM 886 CB THR A 59 5.497 -10.849 -0.605 1.00 0.00 C ATOM 887 OG1 THR A 59 6.865 -10.951 -0.229 1.00 0.00 O ATOM 888 CG2 THR A 59 5.342 -11.561 -1.938 1.00 0.00 C ATOM 0 H THR A 59 6.651 -8.248 -0.101 1.00 0.00 H new ATOM 0 HA THR A 59 4.221 -9.325 -1.379 1.00 0.00 H new ATOM 0 HB THR A 59 4.858 -11.332 0.134 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.136 -11.893 -0.233 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.713 -12.582 -1.850 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.289 -11.581 -2.220 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.912 -11.032 -2.702 1.00 0.00 H new ATOM 896 N ALA A 60 3.372 -9.625 1.220 1.00 0.00 N ATOM 897 CA ALA A 60 2.988 -9.670 2.621 1.00 0.00 C ATOM 898 C ALA A 60 2.615 -11.100 2.960 1.00 0.00 C ATOM 899 O ALA A 60 1.497 -11.538 2.674 1.00 0.00 O ATOM 900 CB ALA A 60 1.851 -8.692 2.931 1.00 0.00 C ATOM 0 H ALA A 60 2.729 -10.131 0.611 1.00 0.00 H new ATOM 0 HA ALA A 60 3.825 -9.354 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.594 -8.756 3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.170 -7.677 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.978 -8.946 2.329 1.00 0.00 H new ATOM 906 N LYS A 61 3.546 -11.822 3.585 1.00 0.00 N ATOM 907 CA LYS A 61 3.265 -13.146 4.119 1.00 0.00 C ATOM 908 C LYS A 61 2.079 -13.003 5.070 1.00 0.00 C ATOM 909 O LYS A 61 2.112 -12.197 6.004 1.00 0.00 O ATOM 910 CB LYS A 61 4.531 -13.722 4.786 1.00 0.00 C ATOM 911 CG LYS A 61 4.614 -15.261 4.855 1.00 0.00 C ATOM 912 CD LYS A 61 4.286 -15.871 6.227 1.00 0.00 C ATOM 913 CE LYS A 61 2.790 -16.110 6.442 1.00 0.00 C ATOM 914 NZ LYS A 61 2.475 -16.273 7.874 1.00 0.00 N ATOM 0 H LYS A 61 4.505 -11.506 3.732 1.00 0.00 H new ATOM 0 HA LYS A 61 2.997 -13.859 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.403 -13.354 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.595 -13.328 5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.931 -15.680 4.116 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.620 -15.568 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.817 -16.817 6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.657 -15.209 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.223 -15.272 6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.479 -17.000 5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.454 -16.434 7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.998 -17.087 8.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.750 -15.413 8.390 1.00 0.00 H new ATOM 928 N GLY A 62 1.024 -13.763 4.798 1.00 0.00 N ATOM 929 CA GLY A 62 -0.089 -14.008 5.711 1.00 0.00 C ATOM 930 C GLY A 62 -1.258 -13.069 5.435 1.00 0.00 C ATOM 931 O GLY A 62 -2.341 -13.526 5.061 1.00 0.00 O ATOM 0 H GLY A 62 0.915 -14.243 3.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.421 -15.042 5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.248 -13.878 6.739 1.00 0.00 H new ATOM 935 N LEU A 63 -0.988 -11.767 5.547 1.00 0.00 N ATOM 936 CA LEU A 63 -1.878 -10.627 5.391 1.00 0.00 C ATOM 937 C LEU A 63 -3.216 -10.759 6.135 1.00 0.00 C ATOM 938 O LEU A 63 -4.215 -11.228 5.593 1.00 0.00 O ATOM 939 CB LEU A 63 -2.042 -10.312 3.913 1.00 0.00 C ATOM 940 CG LEU A 63 -2.663 -8.924 3.697 1.00 0.00 C ATOM 941 CD1 LEU A 63 -1.658 -7.989 3.020 1.00 0.00 C ATOM 942 CD2 LEU A 63 -3.931 -9.058 2.859 1.00 0.00 C ATOM 0 H LEU A 63 -0.042 -11.459 5.772 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.406 -9.775 5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.071 -10.357 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.672 -11.070 3.446 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.924 -8.492 4.663 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.113 -7.010 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.774 -7.888 3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.370 -8.403 2.054 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.372 -8.073 2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.684 -9.499 1.893 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.644 -9.698 3.378 1.00 0.00 H new ATOM 954 N ALA A 64 -3.243 -10.284 7.380 1.00 0.00 N ATOM 955 CA ALA A 64 -4.406 -10.347 8.253 1.00 0.00 C ATOM 956 C ALA A 64 -5.304 -9.120 8.062 1.00 0.00 C ATOM 957 O ALA A 64 -4.979 -8.031 8.550 1.00 0.00 O ATOM 958 CB ALA A 64 -3.920 -10.436 9.698 1.00 0.00 C ATOM 0 H ALA A 64 -2.437 -9.836 7.816 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.001 -11.226 8.005 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -4.778 -10.484 10.368 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.312 -11.332 9.823 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -3.323 -9.556 9.936 1.00 0.00 H new ATOM 964 N MET A 65 -6.437 -9.273 7.376 1.00 0.00 N ATOM 965 CA MET A 65 -7.463 -8.226 7.254 1.00 0.00 C ATOM 966 C MET A 65 -8.580 -8.458 8.278 1.00 0.00 C ATOM 967 O MET A 65 -8.553 -9.474 8.985 1.00 0.00 O ATOM 968 CB MET A 65 -8.024 -8.202 5.827 1.00 0.00 C ATOM 969 CG MET A 65 -6.918 -8.117 4.779 1.00 0.00 C ATOM 970 SD MET A 65 -7.487 -7.818 3.091 1.00 0.00 S ATOM 971 CE MET A 65 -7.712 -6.024 3.065 1.00 0.00 C ATOM 0 H MET A 65 -6.675 -10.134 6.883 1.00 0.00 H new ATOM 0 HA MET A 65 -7.009 -7.257 7.459 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.617 -9.100 5.656 1.00 0.00 H new ATOM 0 HB3 MET A 65 -8.695 -7.350 5.716 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.231 -7.319 5.061 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.350 -9.047 4.796 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.161 -5.727 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.366 -5.727 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.745 -5.534 3.178 1.00 0.00 H new ATOM 981 N THR A 66 -9.569 -7.560 8.363 1.00 0.00 N ATOM 982 CA THR A 66 -10.718 -7.682 9.274 1.00 0.00 C ATOM 983 C THR A 66 -12.030 -7.875 8.460 1.00 0.00 C ATOM 984 O THR A 66 -11.944 -8.294 7.299 1.00 0.00 O ATOM 985 CB THR A 66 -10.644 -6.613 10.404 1.00 0.00 C ATOM 986 OG1 THR A 66 -11.203 -5.359 10.114 1.00 0.00 O ATOM 987 CG2 THR A 66 -9.214 -6.292 10.877 1.00 0.00 C ATOM 0 H THR A 66 -9.596 -6.715 7.793 1.00 0.00 H new ATOM 0 HA THR A 66 -10.697 -8.598 9.865 1.00 0.00 H new ATOM 0 HB THR A 66 -11.233 -7.121 11.167 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.679 -5.403 9.258 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.252 -5.539 11.664 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.747 -7.198 11.263 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.630 -5.912 10.039 1.00 0.00 H new ATOM 995 N ARG A 67 -13.234 -7.710 9.042 1.00 0.00 N ATOM 996 CA ARG A 67 -14.533 -8.060 8.405 1.00 0.00 C ATOM 997 C ARG A 67 -15.642 -7.003 8.594 1.00 0.00 C ATOM 998 O ARG A 67 -16.827 -7.329 8.707 1.00 0.00 O ATOM 999 CB ARG A 67 -15.019 -9.443 8.881 1.00 0.00 C ATOM 1000 CG ARG A 67 -14.187 -10.622 8.370 1.00 0.00 C ATOM 1001 CD ARG A 67 -14.904 -11.938 8.703 1.00 0.00 C ATOM 1002 NE ARG A 67 -13.993 -13.004 9.156 1.00 0.00 N ATOM 1003 CZ ARG A 67 -14.151 -14.320 8.959 1.00 0.00 C ATOM 1004 NH1 ARG A 67 -15.137 -14.774 8.189 1.00 0.00 N ATOM 1005 NH2 ARG A 67 -13.324 -15.183 9.542 1.00 0.00 N ATOM 0 H ARG A 67 -13.340 -7.325 9.981 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.332 -8.088 7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -15.016 -9.459 9.971 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -16.052 -9.580 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.041 -10.538 7.293 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -13.198 -10.608 8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -15.647 -11.752 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -15.443 -12.282 7.821 1.00 0.00 H new ATOM 0 HE ARG A 67 -13.161 -12.712 9.669 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.779 -14.119 7.744 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -15.250 -15.777 8.044 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.570 -14.843 10.139 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.444 -16.185 9.392 1.00 0.00 H new ATOM 1019 N MET A 68 -15.287 -5.729 8.692 1.00 0.00 N ATOM 1020 CA MET A 68 -16.224 -4.609 8.803 1.00 0.00 C ATOM 1021 C MET A 68 -16.840 -4.262 7.438 1.00 0.00 C ATOM 1022 O MET A 68 -16.491 -4.864 6.422 1.00 0.00 O ATOM 1023 CB MET A 68 -15.494 -3.409 9.427 1.00 0.00 C ATOM 1024 CG MET A 68 -14.894 -3.765 10.801 1.00 0.00 C ATOM 1025 SD MET A 68 -13.848 -2.496 11.562 1.00 0.00 S ATOM 1026 CE MET A 68 -12.611 -2.310 10.248 1.00 0.00 C ATOM 0 H MET A 68 -14.311 -5.433 8.697 1.00 0.00 H new ATOM 0 HA MET A 68 -17.054 -4.890 9.451 1.00 0.00 H new ATOM 0 HB2 MET A 68 -14.701 -3.076 8.758 1.00 0.00 H new ATOM 0 HB3 MET A 68 -16.189 -2.576 9.537 1.00 0.00 H new ATOM 0 HG2 MET A 68 -15.712 -3.992 11.485 1.00 0.00 H new ATOM 0 HG3 MET A 68 -14.306 -4.676 10.694 1.00 0.00 H new ATOM 0 HE1 MET A 68 -11.636 -2.110 10.692 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.562 -3.228 9.662 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.891 -1.480 9.599 1.00 0.00 H new ATOM 1036 N MET A 69 -17.764 -3.299 7.417 1.00 0.00 N ATOM 1037 CA MET A 69 -18.301 -2.580 6.274 1.00 0.00 C ATOM 1038 C MET A 69 -17.380 -1.391 5.971 1.00 0.00 C ATOM 1039 O MET A 69 -16.548 -1.006 6.811 1.00 0.00 O ATOM 1040 CB MET A 69 -19.745 -2.105 6.579 1.00 0.00 C ATOM 1041 CG MET A 69 -20.825 -2.848 5.774 1.00 0.00 C ATOM 1042 SD MET A 69 -21.725 -4.190 6.600 1.00 0.00 S ATOM 1043 CE MET A 69 -20.395 -5.287 7.156 1.00 0.00 C ATOM 0 H MET A 69 -18.191 -2.977 8.285 1.00 0.00 H new ATOM 0 HA MET A 69 -18.344 -3.232 5.401 1.00 0.00 H new ATOM 0 HB2 MET A 69 -19.944 -2.236 7.643 1.00 0.00 H new ATOM 0 HB3 MET A 69 -19.819 -1.038 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 69 -21.556 -2.113 5.437 1.00 0.00 H new ATOM 0 HG3 MET A 69 -20.353 -3.261 4.882 1.00 0.00 H new ATOM 0 HE1 MET A 69 -20.811 -6.261 7.414 1.00 0.00 H new ATOM 0 HE2 MET A 69 -19.663 -5.405 6.357 1.00 0.00 H new ATOM 0 HE3 MET A 69 -19.910 -4.856 8.032 1.00 0.00 H new ATOM 1053 N CYS A 70 -17.629 -0.752 4.819 1.00 0.00 N ATOM 1054 CA CYS A 70 -16.874 0.371 4.288 1.00 0.00 C ATOM 1055 C CYS A 70 -17.657 1.683 4.326 1.00 0.00 C ATOM 1056 O CYS A 70 -18.783 1.701 4.824 1.00 0.00 O ATOM 1057 CB CYS A 70 -16.470 0.028 2.867 1.00 0.00 C ATOM 1058 SG CYS A 70 -14.798 0.266 2.388 1.00 0.00 S ATOM 0 H CYS A 70 -18.401 -1.024 4.210 1.00 0.00 H new ATOM 0 HA CYS A 70 -15.997 0.532 4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -16.717 -1.020 2.696 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -17.094 0.616 2.194 1.00 0.00 H new ATOM 1063 N ALA A 71 -17.065 2.776 3.817 1.00 0.00 N ATOM 1064 CA ALA A 71 -17.802 4.005 3.510 1.00 0.00 C ATOM 1065 C ALA A 71 -18.038 4.177 2.006 1.00 0.00 C ATOM 1066 O ALA A 71 -18.793 5.065 1.611 1.00 0.00 O ATOM 1067 CB ALA A 71 -17.053 5.230 4.053 1.00 0.00 C ATOM 0 H ALA A 71 -16.068 2.829 3.609 1.00 0.00 H new ATOM 0 HA ALA A 71 -18.774 3.922 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -17.614 6.134 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -16.947 5.142 5.134 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -16.066 5.285 3.595 1.00 0.00 H new ATOM 1073 N ASN A 72 -17.373 3.395 1.151 1.00 0.00 N ATOM 1074 CA ASN A 72 -17.428 3.549 -0.306 1.00 0.00 C ATOM 1075 C ASN A 72 -17.075 2.194 -0.926 1.00 0.00 C ATOM 1076 O ASN A 72 -16.157 1.548 -0.417 1.00 0.00 O ATOM 1077 CB ASN A 72 -16.365 4.610 -0.659 1.00 0.00 C ATOM 1078 CG ASN A 72 -16.294 5.015 -2.125 1.00 0.00 C ATOM 1079 OD1 ASN A 72 -17.282 5.416 -2.724 1.00 0.00 O ATOM 1080 ND2 ASN A 72 -15.118 4.979 -2.721 1.00 0.00 N ATOM 0 H ASN A 72 -16.774 2.628 1.455 1.00 0.00 H new ATOM 0 HA ASN A 72 -18.406 3.858 -0.674 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -16.558 5.503 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.388 4.232 -0.358 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.027 5.287 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.299 4.643 -2.214 1.00 0.00 H new ATOM 1087 N PRO A 73 -17.693 1.772 -2.043 1.00 0.00 N ATOM 1088 CA PRO A 73 -17.580 0.389 -2.510 1.00 0.00 C ATOM 1089 C PRO A 73 -16.226 0.128 -3.154 1.00 0.00 C ATOM 1090 O PRO A 73 -15.651 -0.941 -3.004 1.00 0.00 O ATOM 1091 CB PRO A 73 -18.721 0.200 -3.511 1.00 0.00 C ATOM 1092 CG PRO A 73 -19.039 1.610 -3.996 1.00 0.00 C ATOM 1093 CD PRO A 73 -18.731 2.468 -2.780 1.00 0.00 C ATOM 0 HA PRO A 73 -17.652 -0.318 -1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.422 -0.446 -4.337 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.589 -0.264 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -18.426 1.890 -4.853 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -20.080 1.706 -4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -18.396 3.461 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -19.620 2.604 -2.165 1.00 0.00 H new ATOM 1101 N GLN A 74 -15.690 1.152 -3.810 1.00 0.00 N ATOM 1102 CA GLN A 74 -14.386 1.128 -4.460 1.00 0.00 C ATOM 1103 C GLN A 74 -13.258 0.786 -3.477 1.00 0.00 C ATOM 1104 O GLN A 74 -12.290 0.135 -3.860 1.00 0.00 O ATOM 1105 CB GLN A 74 -14.159 2.497 -5.104 1.00 0.00 C ATOM 1106 CG GLN A 74 -13.063 2.485 -6.171 1.00 0.00 C ATOM 1107 CD GLN A 74 -12.959 3.857 -6.833 1.00 0.00 C ATOM 1108 OE1 GLN A 74 -13.719 4.190 -7.743 1.00 0.00 O ATOM 1109 NE2 GLN A 74 -12.101 4.728 -6.332 1.00 0.00 N ATOM 0 H GLN A 74 -16.166 2.049 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 74 -14.373 0.344 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -15.091 2.839 -5.553 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -13.895 3.217 -4.329 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -12.108 2.217 -5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -13.284 1.726 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -11.473 4.449 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -12.067 5.679 -6.699 1.00 0.00 H new ATOM 1118 N LEU A 75 -13.376 1.195 -2.209 1.00 0.00 N ATOM 1119 CA LEU A 75 -12.436 0.787 -1.162 1.00 0.00 C ATOM 1120 C LEU A 75 -12.618 -0.691 -0.841 1.00 0.00 C ATOM 1121 O LEU A 75 -11.639 -1.410 -0.675 1.00 0.00 O ATOM 1122 CB LEU A 75 -12.657 1.574 0.131 1.00 0.00 C ATOM 1123 CG LEU A 75 -12.539 3.098 0.094 1.00 0.00 C ATOM 1124 CD1 LEU A 75 -12.927 3.660 1.468 1.00 0.00 C ATOM 1125 CD2 LEU A 75 -11.129 3.509 -0.330 1.00 0.00 C ATOM 0 H LEU A 75 -14.119 1.813 -1.883 1.00 0.00 H new ATOM 0 HA LEU A 75 -11.433 0.983 -1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.653 1.329 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.944 1.205 0.868 1.00 0.00 H new ATOM 0 HG LEU A 75 -13.222 3.515 -0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.846 4.747 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -13.953 3.376 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.258 3.257 2.228 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.058 4.596 -0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.405 3.113 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.917 3.111 -1.322 1.00 0.00 H new ATOM 1137 N ASN A 76 -13.877 -1.128 -0.737 1.00 0.00 N ATOM 1138 CA ASN A 76 -14.280 -2.492 -0.416 1.00 0.00 C ATOM 1139 C ASN A 76 -13.934 -3.473 -1.541 1.00 0.00 C ATOM 1140 O ASN A 76 -14.106 -4.679 -1.378 1.00 0.00 O ATOM 1141 CB ASN A 76 -15.797 -2.538 -0.124 1.00 0.00 C ATOM 1142 CG ASN A 76 -16.130 -3.355 1.116 1.00 0.00 C ATOM 1143 OD1 ASN A 76 -15.333 -4.154 1.587 1.00 0.00 O ATOM 1144 ND2 ASN A 76 -17.292 -3.156 1.725 1.00 0.00 N ATOM 0 H ASN A 76 -14.675 -0.509 -0.882 1.00 0.00 H new ATOM 0 HA ASN A 76 -13.725 -2.799 0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.169 -1.522 0.004 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.316 -2.962 -0.984 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -17.514 -3.668 2.579 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -17.963 -2.491 1.339 1.00 0.00 H new ATOM 1151 N GLU A 77 -13.488 -2.955 -2.682 1.00 0.00 N ATOM 1152 CA GLU A 77 -13.069 -3.676 -3.868 1.00 0.00 C ATOM 1153 C GLU A 77 -11.540 -3.704 -3.929 1.00 0.00 C ATOM 1154 O GLU A 77 -10.951 -4.780 -4.041 1.00 0.00 O ATOM 1155 CB GLU A 77 -13.773 -3.038 -5.064 1.00 0.00 C ATOM 1156 CG GLU A 77 -13.229 -3.473 -6.425 1.00 0.00 C ATOM 1157 CD GLU A 77 -14.192 -3.239 -7.598 1.00 0.00 C ATOM 1158 OE1 GLU A 77 -15.170 -2.457 -7.477 1.00 0.00 O ATOM 1159 OE2 GLU A 77 -14.000 -3.897 -8.653 1.00 0.00 O ATOM 0 H GLU A 77 -13.406 -1.946 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 77 -13.361 -4.726 -3.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.835 -3.281 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -13.690 -1.954 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.301 -2.936 -6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.980 -4.533 -6.381 1.00 0.00 H new ATOM 1166 N LEU A 78 -10.891 -2.546 -3.738 1.00 0.00 N ATOM 1167 CA LEU A 78 -9.436 -2.435 -3.579 1.00 0.00 C ATOM 1168 C LEU A 78 -8.907 -3.255 -2.411 1.00 0.00 C ATOM 1169 O LEU A 78 -7.748 -3.669 -2.413 1.00 0.00 O ATOM 1170 CB LEU A 78 -9.037 -0.959 -3.396 1.00 0.00 C ATOM 1171 CG LEU A 78 -8.109 -0.396 -4.481 1.00 0.00 C ATOM 1172 CD1 LEU A 78 -8.584 -0.685 -5.910 1.00 0.00 C ATOM 1173 CD2 LEU A 78 -8.029 1.126 -4.291 1.00 0.00 C ATOM 0 H LEU A 78 -11.371 -1.647 -3.689 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.987 -2.837 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -9.944 -0.355 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -8.548 -0.848 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.141 -0.885 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.878 -0.257 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.644 -1.763 -6.062 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.568 -0.241 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.374 1.554 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.025 1.557 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.630 1.349 -3.301 1.00 0.00 H new ATOM 1185 N ASP A 79 -9.772 -3.505 -1.438 1.00 0.00 N ATOM 1186 CA ASP A 79 -9.608 -4.461 -0.369 1.00 0.00 C ATOM 1187 C ASP A 79 -9.104 -5.793 -0.895 1.00 0.00 C ATOM 1188 O ASP A 79 -8.065 -6.277 -0.454 1.00 0.00 O ATOM 1189 CB ASP A 79 -10.960 -4.647 0.307 1.00 0.00 C ATOM 1190 CG ASP A 79 -10.774 -5.371 1.619 1.00 0.00 C ATOM 1191 OD1 ASP A 79 -10.775 -6.623 1.644 1.00 0.00 O ATOM 1192 OD2 ASP A 79 -10.747 -4.625 2.626 1.00 0.00 O ATOM 0 H ASP A 79 -10.662 -3.010 -1.377 1.00 0.00 H new ATOM 0 HA ASP A 79 -8.869 -4.089 0.341 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.429 -3.678 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -11.627 -5.214 -0.342 1.00 0.00 H new ATOM 1197 N ASN A 80 -9.817 -6.369 -1.864 1.00 0.00 N ATOM 1198 CA ASN A 80 -9.498 -7.700 -2.351 1.00 0.00 C ATOM 1199 C ASN A 80 -8.317 -7.622 -3.303 1.00 0.00 C ATOM 1200 O ASN A 80 -7.459 -8.498 -3.252 1.00 0.00 O ATOM 1201 CB ASN A 80 -10.726 -8.378 -2.975 1.00 0.00 C ATOM 1202 CG ASN A 80 -11.786 -8.614 -1.904 1.00 0.00 C ATOM 1203 OD1 ASN A 80 -11.538 -9.284 -0.906 1.00 0.00 O ATOM 1204 ND2 ASN A 80 -12.960 -8.019 -2.029 1.00 0.00 N ATOM 0 H ASN A 80 -10.616 -5.931 -2.322 1.00 0.00 H new ATOM 0 HA ASN A 80 -9.207 -8.332 -1.512 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -11.133 -7.754 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -10.438 -9.326 -3.429 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -13.662 -8.116 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -13.164 -7.463 -2.859 1.00 0.00 H new ATOM 1211 N THR A 81 -8.210 -6.536 -4.078 1.00 0.00 N ATOM 1212 CA THR A 81 -7.047 -6.235 -4.895 1.00 0.00 C ATOM 1213 C THR A 81 -5.764 -6.351 -4.060 1.00 0.00 C ATOM 1214 O THR A 81 -4.897 -7.152 -4.405 1.00 0.00 O ATOM 1215 CB THR A 81 -7.200 -4.845 -5.528 1.00 0.00 C ATOM 1216 OG1 THR A 81 -8.474 -4.675 -6.121 1.00 0.00 O ATOM 1217 CG2 THR A 81 -6.140 -4.586 -6.593 1.00 0.00 C ATOM 0 H THR A 81 -8.947 -5.834 -4.150 1.00 0.00 H new ATOM 0 HA THR A 81 -6.972 -6.961 -5.704 1.00 0.00 H new ATOM 0 HB THR A 81 -7.078 -4.133 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.482 -3.848 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.284 -3.592 -7.016 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.149 -4.649 -6.143 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.228 -5.332 -7.383 1.00 0.00 H new ATOM 1225 N ILE A 82 -5.609 -5.581 -2.973 1.00 0.00 N ATOM 1226 CA ILE A 82 -4.347 -5.581 -2.231 1.00 0.00 C ATOM 1227 C ILE A 82 -4.073 -6.966 -1.628 1.00 0.00 C ATOM 1228 O ILE A 82 -2.923 -7.403 -1.606 1.00 0.00 O ATOM 1229 CB ILE A 82 -4.302 -4.427 -1.201 1.00 0.00 C ATOM 1230 CG1 ILE A 82 -2.865 -4.133 -0.727 1.00 0.00 C ATOM 1231 CG2 ILE A 82 -5.199 -4.642 0.032 1.00 0.00 C ATOM 1232 CD1 ILE A 82 -2.031 -3.400 -1.789 1.00 0.00 C ATOM 0 H ILE A 82 -6.328 -4.963 -2.596 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.527 -5.385 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.697 -3.570 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.902 -3.530 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.373 -5.070 -0.467 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.108 -3.787 0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.236 -4.744 -0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.889 -5.547 0.554 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.028 -3.218 -1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.968 -4.012 -2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.505 -2.448 -2.031 1.00 0.00 H new ATOM 1244 N SER A 83 -5.131 -7.653 -1.193 1.00 0.00 N ATOM 1245 CA SER A 83 -5.138 -8.989 -0.600 1.00 0.00 C ATOM 1246 C SER A 83 -4.738 -10.099 -1.569 1.00 0.00 C ATOM 1247 O SER A 83 -4.490 -11.235 -1.155 1.00 0.00 O ATOM 1248 CB SER A 83 -6.571 -9.245 -0.120 1.00 0.00 C ATOM 1249 OG SER A 83 -6.720 -10.037 1.041 1.00 0.00 O ATOM 0 H SER A 83 -6.071 -7.261 -1.251 1.00 0.00 H new ATOM 0 HA SER A 83 -4.401 -9.011 0.202 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.046 -8.281 0.063 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.121 -9.723 -0.931 1.00 0.00 H new ATOM 0 HG SER A 83 -7.104 -9.494 1.760 1.00 0.00 H new ATOM 1255 N GLU A 84 -4.688 -9.779 -2.853 1.00 0.00 N ATOM 1256 CA GLU A 84 -4.328 -10.692 -3.923 1.00 0.00 C ATOM 1257 C GLU A 84 -3.017 -10.267 -4.604 1.00 0.00 C ATOM 1258 O GLU A 84 -2.322 -11.110 -5.173 1.00 0.00 O ATOM 1259 CB GLU A 84 -5.544 -10.739 -4.865 1.00 0.00 C ATOM 1260 CG GLU A 84 -5.357 -11.654 -6.067 1.00 0.00 C ATOM 1261 CD GLU A 84 -6.570 -11.703 -7.002 1.00 0.00 C ATOM 1262 OE1 GLU A 84 -7.612 -11.033 -6.803 1.00 0.00 O ATOM 1263 OE2 GLU A 84 -6.449 -12.378 -8.049 1.00 0.00 O ATOM 0 H GLU A 84 -4.905 -8.841 -3.189 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.115 -11.697 -3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.416 -11.070 -4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.757 -9.730 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.487 -11.321 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.141 -12.662 -5.714 1.00 0.00 H new ATOM 1270 N MET A 85 -2.628 -8.991 -4.510 1.00 0.00 N ATOM 1271 CA MET A 85 -1.390 -8.473 -5.082 1.00 0.00 C ATOM 1272 C MET A 85 -0.216 -8.971 -4.246 1.00 0.00 C ATOM 1273 O MET A 85 0.738 -9.575 -4.734 1.00 0.00 O ATOM 1274 CB MET A 85 -1.420 -6.936 -5.045 1.00 0.00 C ATOM 1275 CG MET A 85 -2.276 -6.304 -6.143 1.00 0.00 C ATOM 1276 SD MET A 85 -2.437 -4.503 -6.007 1.00 0.00 S ATOM 1277 CE MET A 85 -0.786 -4.017 -6.566 1.00 0.00 C ATOM 0 H MET A 85 -3.177 -8.281 -4.025 1.00 0.00 H new ATOM 0 HA MET A 85 -1.285 -8.813 -6.112 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.796 -6.613 -4.074 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.400 -6.561 -5.132 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.843 -6.548 -7.113 1.00 0.00 H new ATOM 0 HG3 MET A 85 -3.270 -6.750 -6.117 1.00 0.00 H new ATOM 0 HE1 MET A 85 -0.701 -2.930 -6.548 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.036 -4.451 -5.905 1.00 0.00 H new ATOM 0 HE3 MET A 85 -0.625 -4.377 -7.582 1.00 0.00 H new ATOM 1287 N LEU A 86 -0.296 -8.684 -2.949 1.00 0.00 N ATOM 1288 CA LEU A 86 0.794 -8.821 -1.996 1.00 0.00 C ATOM 1289 C LEU A 86 1.063 -10.283 -1.655 1.00 0.00 C ATOM 1290 O LEU A 86 2.123 -10.602 -1.118 1.00 0.00 O ATOM 1291 CB LEU A 86 0.388 -8.026 -0.749 1.00 0.00 C ATOM 1292 CG LEU A 86 0.798 -6.555 -0.744 1.00 0.00 C ATOM 1293 CD1 LEU A 86 2.243 -6.370 -0.277 1.00 0.00 C ATOM 1294 CD2 LEU A 86 0.568 -5.806 -2.060 1.00 0.00 C ATOM 0 H LEU A 86 -1.154 -8.337 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 86 1.723 -8.438 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.695 -8.084 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.823 -8.509 0.126 1.00 0.00 H new ATOM 0 HG LEU A 86 0.119 -6.099 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.496 -5.310 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.351 -6.759 0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.913 -6.910 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.892 -4.771 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.141 -6.283 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.492 -5.830 -2.312 1.00 0.00 H new ATOM 1306 N LYS A 87 0.109 -11.164 -1.943 1.00 0.00 N ATOM 1307 CA LYS A 87 0.227 -12.590 -1.728 1.00 0.00 C ATOM 1308 C LYS A 87 1.188 -13.170 -2.750 1.00 0.00 C ATOM 1309 O LYS A 87 2.087 -13.925 -2.389 1.00 0.00 O ATOM 1310 CB LYS A 87 -1.167 -13.225 -1.838 1.00 0.00 C ATOM 1311 CG LYS A 87 -1.303 -14.357 -0.820 1.00 0.00 C ATOM 1312 CD LYS A 87 -2.746 -14.842 -0.770 1.00 0.00 C ATOM 1313 CE LYS A 87 -3.021 -15.549 0.554 1.00 0.00 C ATOM 1314 NZ LYS A 87 -4.407 -16.046 0.589 1.00 0.00 N ATOM 0 H LYS A 87 -0.789 -10.891 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 87 0.623 -12.801 -0.735 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.935 -12.471 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.323 -13.610 -2.846 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.643 -15.181 -1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.993 -14.010 0.166 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.425 -13.997 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.937 -15.522 -1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.326 -16.379 0.682 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.853 -14.862 1.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.581 -16.525 1.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.065 -15.247 0.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.555 -16.717 -0.191 1.00 0.00 H new ATOM 1328 N GLU A 88 0.971 -12.813 -4.016 1.00 0.00 N ATOM 1329 CA GLU A 88 1.765 -13.283 -5.132 1.00 0.00 C ATOM 1330 C GLU A 88 3.154 -12.651 -5.037 1.00 0.00 C ATOM 1331 O GLU A 88 4.131 -13.377 -4.838 1.00 0.00 O ATOM 1332 CB GLU A 88 1.067 -12.936 -6.454 1.00 0.00 C ATOM 1333 CG GLU A 88 -0.286 -13.652 -6.652 1.00 0.00 C ATOM 1334 CD GLU A 88 -0.268 -14.672 -7.793 1.00 0.00 C ATOM 1335 OE1 GLU A 88 0.100 -14.296 -8.934 1.00 0.00 O ATOM 1336 OE2 GLU A 88 -0.652 -15.844 -7.549 1.00 0.00 O ATOM 0 H GLU A 88 0.223 -12.177 -4.291 1.00 0.00 H new ATOM 0 HA GLU A 88 1.872 -14.367 -5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.907 -11.859 -6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.728 -13.194 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.561 -14.157 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.058 -12.908 -6.851 1.00 0.00 H new ATOM 1343 N GLY A 89 3.223 -11.320 -5.130 1.00 0.00 N ATOM 1344 CA GLY A 89 4.453 -10.544 -5.140 1.00 0.00 C ATOM 1345 C GLY A 89 4.282 -9.348 -6.065 1.00 0.00 C ATOM 1346 O GLY A 89 4.135 -9.513 -7.276 1.00 0.00 O ATOM 0 H GLY A 89 2.389 -10.737 -5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 89 4.693 -10.208 -4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.285 -11.163 -5.476 1.00 0.00 H new ATOM 1350 N ALA A 90 4.223 -8.148 -5.487 1.00 0.00 N ATOM 1351 CA ALA A 90 4.037 -6.900 -6.215 1.00 0.00 C ATOM 1352 C ALA A 90 5.401 -6.321 -6.566 1.00 0.00 C ATOM 1353 O ALA A 90 6.294 -6.364 -5.725 1.00 0.00 O ATOM 1354 CB ALA A 90 3.270 -5.919 -5.320 1.00 0.00 C ATOM 0 H ALA A 90 4.305 -8.018 -4.479 1.00 0.00 H new ATOM 0 HA ALA A 90 3.474 -7.075 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.123 -4.979 -5.852 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.300 -6.345 -5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.840 -5.735 -4.410 1.00 0.00 H new ATOM 1360 N GLN A 91 5.562 -5.708 -7.738 1.00 0.00 N ATOM 1361 CA GLN A 91 6.665 -4.807 -7.967 1.00 0.00 C ATOM 1362 C GLN A 91 6.320 -3.529 -7.209 1.00 0.00 C ATOM 1363 O GLN A 91 5.151 -3.130 -7.140 1.00 0.00 O ATOM 1364 CB GLN A 91 6.855 -4.538 -9.462 1.00 0.00 C ATOM 1365 CG GLN A 91 7.255 -5.743 -10.335 1.00 0.00 C ATOM 1366 CD GLN A 91 8.278 -6.697 -9.712 1.00 0.00 C ATOM 1367 OE1 GLN A 91 9.482 -6.630 -9.951 1.00 0.00 O ATOM 1368 NE2 GLN A 91 7.812 -7.685 -8.964 1.00 0.00 N ATOM 0 H GLN A 91 4.938 -5.826 -8.536 1.00 0.00 H new ATOM 0 HA GLN A 91 7.607 -5.230 -7.618 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.925 -4.127 -9.855 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.618 -3.767 -9.575 1.00 0.00 H new ATOM 0 HG2 GLN A 91 6.355 -6.309 -10.576 1.00 0.00 H new ATOM 0 HG3 GLN A 91 7.658 -5.370 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 91 6.814 -7.745 -8.763 1.00 0.00 H new ATOM 0 HE22 GLN A 91 8.451 -8.386 -8.589 1.00 0.00 H new ATOM 1377 N VAL A 92 7.333 -2.914 -6.617 1.00 0.00 N ATOM 1378 CA VAL A 92 7.204 -1.803 -5.695 1.00 0.00 C ATOM 1379 C VAL A 92 8.297 -0.833 -6.092 1.00 0.00 C ATOM 1380 O VAL A 92 9.478 -1.120 -5.910 1.00 0.00 O ATOM 1381 CB VAL A 92 7.287 -2.340 -4.252 1.00 0.00 C ATOM 1382 CG1 VAL A 92 7.538 -1.266 -3.186 1.00 0.00 C ATOM 1383 CG2 VAL A 92 5.997 -3.066 -3.900 1.00 0.00 C ATOM 0 H VAL A 92 8.303 -3.188 -6.774 1.00 0.00 H new ATOM 0 HA VAL A 92 6.249 -1.279 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 92 8.149 -3.007 -4.241 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.582 -1.733 -2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 92 8.483 -0.763 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.728 -0.537 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.059 -3.444 -2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.157 -2.376 -3.981 1.00 0.00 H new ATOM 0 HG23 VAL A 92 5.849 -3.899 -4.587 1.00 0.00 H new ATOM 1393 N ASP A 93 7.902 0.277 -6.697 1.00 0.00 N ATOM 1394 CA ASP A 93 8.762 1.068 -7.553 1.00 0.00 C ATOM 1395 C ASP A 93 8.727 2.507 -7.058 1.00 0.00 C ATOM 1396 O ASP A 93 7.752 3.225 -7.283 1.00 0.00 O ATOM 1397 CB ASP A 93 8.299 0.916 -9.013 1.00 0.00 C ATOM 1398 CG ASP A 93 9.487 0.799 -9.955 1.00 0.00 C ATOM 1399 OD1 ASP A 93 10.520 1.466 -9.717 1.00 0.00 O ATOM 1400 OD2 ASP A 93 9.381 0.017 -10.925 1.00 0.00 O ATOM 0 H ASP A 93 6.960 0.656 -6.603 1.00 0.00 H new ATOM 0 HA ASP A 93 9.797 0.729 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.668 0.032 -9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.690 1.775 -9.296 1.00 0.00 H new ATOM 1405 N LEU A 94 9.717 2.915 -6.264 1.00 0.00 N ATOM 1406 CA LEU A 94 9.709 4.241 -5.658 1.00 0.00 C ATOM 1407 C LEU A 94 10.571 5.170 -6.481 1.00 0.00 C ATOM 1408 O LEU A 94 11.805 5.152 -6.413 1.00 0.00 O ATOM 1409 CB LEU A 94 10.109 4.215 -4.190 1.00 0.00 C ATOM 1410 CG LEU A 94 10.251 5.608 -3.563 1.00 0.00 C ATOM 1411 CD1 LEU A 94 8.921 6.356 -3.517 1.00 0.00 C ATOM 1412 CD2 LEU A 94 10.842 5.498 -2.169 1.00 0.00 C ATOM 0 H LEU A 94 10.531 2.347 -6.028 1.00 0.00 H new ATOM 0 HA LEU A 94 8.687 4.621 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.365 3.649 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.055 3.683 -4.090 1.00 0.00 H new ATOM 0 HG LEU A 94 10.925 6.184 -4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 94 9.071 7.337 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 94 8.537 6.478 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.205 5.788 -2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.938 6.493 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 94 10.188 4.891 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.825 5.031 -2.226 1.00 0.00 H new ATOM 1424 N THR A 95 9.880 6.007 -7.231 1.00 0.00 N ATOM 1425 CA THR A 95 10.436 7.160 -7.913 1.00 0.00 C ATOM 1426 C THR A 95 10.927 8.186 -6.875 1.00 0.00 C ATOM 1427 O THR A 95 10.724 8.005 -5.671 1.00 0.00 O ATOM 1428 CB THR A 95 9.396 7.755 -8.904 1.00 0.00 C ATOM 1429 OG1 THR A 95 8.373 6.865 -9.317 1.00 0.00 O ATOM 1430 CG2 THR A 95 10.087 8.255 -10.173 1.00 0.00 C ATOM 0 H THR A 95 8.878 5.898 -7.388 1.00 0.00 H new ATOM 0 HA THR A 95 11.298 6.861 -8.509 1.00 0.00 H new ATOM 0 HB THR A 95 8.927 8.558 -8.335 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.699 6.791 -8.610 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.343 8.668 -10.854 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.810 9.029 -9.913 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.602 7.426 -10.658 1.00 0.00 H new ATOM 1438 N ALA A 96 11.581 9.270 -7.304 1.00 0.00 N ATOM 1439 CA ALA A 96 12.237 10.244 -6.429 1.00 0.00 C ATOM 1440 C ALA A 96 11.356 10.725 -5.262 1.00 0.00 C ATOM 1441 O ALA A 96 11.873 10.966 -4.170 1.00 0.00 O ATOM 1442 CB ALA A 96 12.734 11.416 -7.277 1.00 0.00 C ATOM 0 H ALA A 96 11.670 9.499 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 96 13.079 9.743 -5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.224 12.148 -6.635 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.443 11.052 -8.020 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.889 11.885 -7.781 1.00 0.00 H new ATOM 1448 N ASN A 97 10.037 10.826 -5.456 1.00 0.00 N ATOM 1449 CA ASN A 97 9.050 11.112 -4.411 1.00 0.00 C ATOM 1450 C ASN A 97 7.661 10.515 -4.697 1.00 0.00 C ATOM 1451 O ASN A 97 6.682 10.919 -4.066 1.00 0.00 O ATOM 1452 CB ASN A 97 8.974 12.625 -4.146 1.00 0.00 C ATOM 1453 CG ASN A 97 8.750 13.458 -5.399 1.00 0.00 C ATOM 1454 OD1 ASN A 97 8.033 13.089 -6.330 1.00 0.00 O ATOM 1455 ND2 ASN A 97 9.381 14.612 -5.477 1.00 0.00 N ATOM 0 H ASN A 97 9.613 10.707 -6.376 1.00 0.00 H new ATOM 0 HA ASN A 97 9.397 10.613 -3.506 1.00 0.00 H new ATOM 0 HB2 ASN A 97 8.165 12.821 -3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 97 9.899 12.947 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 97 9.275 15.196 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 97 9.976 14.921 -4.708 1.00 0.00 H new ATOM 1462 N GLN A 98 7.538 9.535 -5.600 1.00 0.00 N ATOM 1463 CA GLN A 98 6.259 8.885 -5.878 1.00 0.00 C ATOM 1464 C GLN A 98 6.439 7.375 -6.005 1.00 0.00 C ATOM 1465 O GLN A 98 7.205 6.901 -6.842 1.00 0.00 O ATOM 1466 CB GLN A 98 5.615 9.499 -7.126 1.00 0.00 C ATOM 1467 CG GLN A 98 4.154 9.051 -7.252 1.00 0.00 C ATOM 1468 CD GLN A 98 3.405 9.829 -8.320 1.00 0.00 C ATOM 1469 OE1 GLN A 98 2.690 10.777 -8.006 1.00 0.00 O ATOM 1470 NE2 GLN A 98 3.540 9.452 -9.584 1.00 0.00 N ATOM 0 H GLN A 98 8.317 9.175 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 98 5.581 9.055 -5.042 1.00 0.00 H new ATOM 0 HB2 GLN A 98 5.665 10.586 -7.070 1.00 0.00 H new ATOM 0 HB3 GLN A 98 6.171 9.200 -8.014 1.00 0.00 H new ATOM 0 HG2 GLN A 98 4.121 7.988 -7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 98 3.653 9.179 -6.293 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.140 8.661 -9.819 1.00 0.00 H new ATOM 0 HE22 GLN A 98 3.044 9.953 -10.321 1.00 0.00 H new ATOM 1479 N LEU A 99 5.737 6.637 -5.153 1.00 0.00 N ATOM 1480 CA LEU A 99 5.569 5.197 -5.209 1.00 0.00 C ATOM 1481 C LEU A 99 4.705 4.839 -6.417 1.00 0.00 C ATOM 1482 O LEU A 99 3.665 5.467 -6.637 1.00 0.00 O ATOM 1483 CB LEU A 99 4.832 4.711 -3.939 1.00 0.00 C ATOM 1484 CG LEU A 99 5.460 3.498 -3.235 1.00 0.00 C ATOM 1485 CD1 LEU A 99 4.471 2.958 -2.192 1.00 0.00 C ATOM 1486 CD2 LEU A 99 5.807 2.366 -4.205 1.00 0.00 C ATOM 0 H LEU A 99 5.245 7.054 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 99 6.550 4.727 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU A 99 4.784 5.537 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.806 4.462 -4.208 1.00 0.00 H new ATOM 0 HG LEU A 99 6.387 3.837 -2.772 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.909 2.097 -1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.254 3.736 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.548 2.658 -2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 99 6.247 1.536 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.901 2.028 -4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 99 6.520 2.728 -4.946 1.00 0.00 H new ATOM 1498 N THR A 100 5.050 3.756 -7.094 1.00 0.00 N ATOM 1499 CA THR A 100 4.239 3.100 -8.104 1.00 0.00 C ATOM 1500 C THR A 100 4.278 1.599 -7.797 1.00 0.00 C ATOM 1501 O THR A 100 5.346 1.047 -7.543 1.00 0.00 O ATOM 1502 CB THR A 100 4.800 3.406 -9.505 1.00 0.00 C ATOM 1503 OG1 THR A 100 5.267 4.740 -9.647 1.00 0.00 O ATOM 1504 CG2 THR A 100 3.722 3.198 -10.568 1.00 0.00 C ATOM 0 H THR A 100 5.945 3.289 -6.947 1.00 0.00 H new ATOM 0 HA THR A 100 3.209 3.457 -8.089 1.00 0.00 H new ATOM 0 HB THR A 100 5.639 2.722 -9.634 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.611 4.871 -10.555 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.135 3.418 -11.553 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.380 2.164 -10.541 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.882 3.864 -10.369 1.00 0.00 H new ATOM 1512 N LEU A 101 3.131 0.927 -7.751 1.00 0.00 N ATOM 1513 CA LEU A 101 3.009 -0.506 -7.579 1.00 0.00 C ATOM 1514 C LEU A 101 2.549 -1.154 -8.862 1.00 0.00 C ATOM 1515 O LEU A 101 1.838 -0.521 -9.640 1.00 0.00 O ATOM 1516 CB LEU A 101 1.953 -0.783 -6.498 1.00 0.00 C ATOM 1517 CG LEU A 101 2.660 -1.264 -5.243 1.00 0.00 C ATOM 1518 CD1 LEU A 101 3.504 -0.175 -4.593 1.00 0.00 C ATOM 1519 CD2 LEU A 101 1.650 -1.882 -4.282 1.00 0.00 C ATOM 0 H LEU A 101 2.227 1.391 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 101 3.980 -0.912 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.381 0.121 -6.287 1.00 0.00 H new ATOM 0 HB3 LEU A 101 1.244 -1.535 -6.845 1.00 0.00 H new ATOM 0 HG LEU A 101 3.371 -2.040 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.987 -0.573 -3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.265 0.164 -5.296 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.865 0.664 -4.317 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.165 -2.225 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.903 -1.136 -4.010 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.159 -2.728 -4.764 1.00 0.00 H new ATOM 1531 N ALA A 102 2.805 -2.449 -8.999 1.00 0.00 N ATOM 1532 CA ALA A 102 2.178 -3.315 -9.988 1.00 0.00 C ATOM 1533 C ALA A 102 2.159 -4.734 -9.435 1.00 0.00 C ATOM 1534 O ALA A 102 2.929 -5.057 -8.532 1.00 0.00 O ATOM 1535 CB ALA A 102 2.966 -3.262 -11.298 1.00 0.00 C ATOM 0 H ALA A 102 3.475 -2.940 -8.407 1.00 0.00 H new ATOM 0 HA ALA A 102 1.159 -2.985 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 102 2.492 -3.912 -12.034 1.00 0.00 H new ATOM 0 HB2 ALA A 102 2.980 -2.239 -11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.988 -3.598 -11.122 1.00 0.00 H new ATOM 1541 N THR A 103 1.283 -5.594 -9.935 1.00 0.00 N ATOM 1542 CA THR A 103 1.256 -7.023 -9.754 1.00 0.00 C ATOM 1543 C THR A 103 0.459 -7.578 -10.948 1.00 0.00 C ATOM 1544 O THR A 103 0.084 -6.804 -11.837 1.00 0.00 O ATOM 1545 CB THR A 103 0.584 -7.365 -8.417 1.00 0.00 C ATOM 1546 OG1 THR A 103 0.843 -6.419 -7.404 1.00 0.00 O ATOM 1547 CG2 THR A 103 1.107 -8.700 -7.935 1.00 0.00 C ATOM 0 H THR A 103 0.514 -5.275 -10.524 1.00 0.00 H new ATOM 0 HA THR A 103 2.255 -7.458 -9.722 1.00 0.00 H new ATOM 0 HB THR A 103 -0.490 -7.377 -8.601 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.099 -6.884 -6.580 1.00 0.00 H new ATOM 0 HG21 THR A 103 0.636 -8.954 -6.985 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.875 -9.469 -8.672 1.00 0.00 H new ATOM 0 HG23 THR A 103 2.187 -8.641 -7.800 1.00 0.00 H new ATOM 1555 N ALA A 104 0.122 -8.875 -10.982 1.00 0.00 N ATOM 1556 CA ALA A 104 -0.835 -9.349 -11.974 1.00 0.00 C ATOM 1557 C ALA A 104 -2.205 -8.693 -11.791 1.00 0.00 C ATOM 1558 O ALA A 104 -2.877 -8.422 -12.784 1.00 0.00 O ATOM 1559 CB ALA A 104 -0.963 -10.872 -11.964 1.00 0.00 C ATOM 0 H ALA A 104 0.488 -9.590 -10.353 1.00 0.00 H new ATOM 0 HA ALA A 104 -0.445 -9.056 -12.949 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.686 -11.181 -12.718 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.006 -11.320 -12.185 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.300 -11.202 -10.981 1.00 0.00 H new ATOM 1565 N LYS A 105 -2.623 -8.428 -10.547 1.00 0.00 N ATOM 1566 CA LYS A 105 -3.924 -7.844 -10.240 1.00 0.00 C ATOM 1567 C LYS A 105 -4.073 -6.477 -10.905 1.00 0.00 C ATOM 1568 O LYS A 105 -4.788 -6.361 -11.900 1.00 0.00 O ATOM 1569 CB LYS A 105 -4.131 -7.798 -8.710 1.00 0.00 C ATOM 1570 CG LYS A 105 -5.168 -8.792 -8.177 1.00 0.00 C ATOM 1571 CD LYS A 105 -6.626 -8.354 -8.416 1.00 0.00 C ATOM 1572 CE LYS A 105 -7.289 -8.962 -9.659 1.00 0.00 C ATOM 1573 NZ LYS A 105 -7.598 -10.399 -9.505 1.00 0.00 N ATOM 0 H LYS A 105 -2.057 -8.617 -9.720 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.714 -8.471 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.176 -7.992 -8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.435 -6.790 -8.428 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.007 -9.761 -8.650 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.010 -8.930 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.218 -8.620 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -6.654 -7.268 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.209 -8.419 -9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -6.631 -8.828 -10.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -8.205 -10.710 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -6.714 -10.947 -9.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -8.092 -10.553 -8.603 1.00 0.00 H new ATOM 1587 N GLN A 106 -3.490 -5.439 -10.308 1.00 0.00 N ATOM 1588 CA GLN A 106 -3.683 -4.038 -10.652 1.00 0.00 C ATOM 1589 C GLN A 106 -2.392 -3.294 -10.279 1.00 0.00 C ATOM 1590 O GLN A 106 -1.427 -3.890 -9.799 1.00 0.00 O ATOM 1591 CB GLN A 106 -4.925 -3.471 -9.922 1.00 0.00 C ATOM 1592 CG GLN A 106 -6.253 -4.132 -10.362 1.00 0.00 C ATOM 1593 CD GLN A 106 -7.534 -3.582 -9.730 1.00 0.00 C ATOM 1594 OE1 GLN A 106 -7.465 -2.551 -8.900 1.00 0.00 O flip ATOM 1595 NE2 GLN A 106 -8.617 -4.122 -9.945 1.00 0.00 N flip ATOM 0 H GLN A 106 -2.838 -5.562 -9.533 1.00 0.00 H new ATOM 0 HA GLN A 106 -3.875 -3.912 -11.718 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -4.799 -3.607 -8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -4.985 -2.398 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -6.339 -4.037 -11.444 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -6.193 -5.197 -10.140 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -8.673 -4.916 -10.583 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.459 -3.776 -9.485 1.00 0.00 H new ATOM 1604 N THR A 107 -2.383 -1.977 -10.456 1.00 0.00 N ATOM 1605 CA THR A 107 -1.254 -1.093 -10.223 1.00 0.00 C ATOM 1606 C THR A 107 -1.813 0.159 -9.543 1.00 0.00 C ATOM 1607 O THR A 107 -2.861 0.638 -9.966 1.00 0.00 O ATOM 1608 CB THR A 107 -0.549 -0.817 -11.569 1.00 0.00 C ATOM 1609 OG1 THR A 107 0.247 0.336 -11.461 1.00 0.00 O ATOM 1610 CG2 THR A 107 -1.498 -0.615 -12.756 1.00 0.00 C ATOM 0 H THR A 107 -3.208 -1.474 -10.783 1.00 0.00 H new ATOM 0 HA THR A 107 -0.494 -1.523 -9.571 1.00 0.00 H new ATOM 0 HB THR A 107 0.040 -1.712 -11.770 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.030 0.142 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.917 -0.427 -13.659 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.103 -1.511 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.150 0.237 -12.560 1.00 0.00 H new ATOM 1618 N LEU A 108 -1.183 0.665 -8.480 1.00 0.00 N ATOM 1619 CA LEU A 108 -1.614 1.859 -7.758 1.00 0.00 C ATOM 1620 C LEU A 108 -0.441 2.836 -7.698 1.00 0.00 C ATOM 1621 O LEU A 108 0.710 2.398 -7.753 1.00 0.00 O ATOM 1622 CB LEU A 108 -2.022 1.508 -6.315 1.00 0.00 C ATOM 1623 CG LEU A 108 -3.097 0.438 -6.054 1.00 0.00 C ATOM 1624 CD1 LEU A 108 -4.315 0.531 -6.975 1.00 0.00 C ATOM 1625 CD2 LEU A 108 -2.570 -0.997 -6.054 1.00 0.00 C ATOM 0 H LEU A 108 -0.340 0.244 -8.090 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.469 2.294 -8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.119 1.194 -5.791 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.361 2.429 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.421 0.678 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.023 -0.259 -6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.794 1.502 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.997 0.417 -8.011 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.392 -1.687 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.126 -1.222 -7.024 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -1.815 -1.107 -5.275 1.00 0.00 H new ATOM 1637 N THR A 109 -0.713 4.122 -7.489 1.00 0.00 N ATOM 1638 CA THR A 109 0.305 5.157 -7.347 1.00 0.00 C ATOM 1639 C THR A 109 0.095 5.836 -5.995 1.00 0.00 C ATOM 1640 O THR A 109 -1.049 6.124 -5.627 1.00 0.00 O ATOM 1641 CB THR A 109 0.186 6.147 -8.519 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.191 5.475 -9.760 1.00 0.00 O ATOM 1643 CG2 THR A 109 1.347 7.141 -8.548 1.00 0.00 C ATOM 0 H THR A 109 -1.665 4.479 -7.412 1.00 0.00 H new ATOM 0 HA THR A 109 1.312 4.740 -7.376 1.00 0.00 H new ATOM 0 HB THR A 109 -0.756 6.673 -8.366 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.112 6.128 -10.486 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.223 7.821 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 109 1.360 7.712 -7.620 1.00 0.00 H new ATOM 0 HG23 THR A 109 2.287 6.600 -8.654 1.00 0.00 H new ATOM 1651 N TYR A 110 1.178 6.109 -5.260 1.00 0.00 N ATOM 1652 CA TYR A 110 1.136 6.730 -3.942 1.00 0.00 C ATOM 1653 C TYR A 110 2.201 7.826 -3.795 1.00 0.00 C ATOM 1654 O TYR A 110 3.296 7.690 -4.333 1.00 0.00 O ATOM 1655 CB TYR A 110 1.290 5.680 -2.830 1.00 0.00 C ATOM 1656 CG TYR A 110 0.543 4.361 -2.966 1.00 0.00 C ATOM 1657 CD1 TYR A 110 0.975 3.270 -3.749 1.00 0.00 C ATOM 1658 CD2 TYR A 110 -0.577 4.198 -2.161 1.00 0.00 C ATOM 1659 CE1 TYR A 110 0.289 2.037 -3.670 1.00 0.00 C ATOM 1660 CE2 TYR A 110 -1.253 2.988 -2.044 1.00 0.00 C ATOM 1661 CZ TYR A 110 -0.822 1.885 -2.802 1.00 0.00 C ATOM 1662 OH TYR A 110 -1.462 0.692 -2.667 1.00 0.00 O ATOM 0 H TYR A 110 2.125 5.898 -5.575 1.00 0.00 H new ATOM 0 HA TYR A 110 0.158 7.200 -3.841 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.351 5.451 -2.735 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.979 6.142 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.826 3.377 -4.406 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.939 5.048 -1.601 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.614 1.204 -4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -2.099 2.897 -1.379 1.00 0.00 H new ATOM 0 HH TYR A 110 -2.198 0.786 -2.026 1.00 0.00 H new ATOM 1672 N LYS A 111 1.927 8.912 -3.063 1.00 0.00 N ATOM 1673 CA LYS A 111 2.894 10.011 -2.888 1.00 0.00 C ATOM 1674 C LYS A 111 3.767 9.772 -1.670 1.00 0.00 C ATOM 1675 O LYS A 111 3.250 9.258 -0.680 1.00 0.00 O ATOM 1676 CB LYS A 111 2.175 11.357 -2.672 1.00 0.00 C ATOM 1677 CG LYS A 111 3.033 12.564 -3.085 1.00 0.00 C ATOM 1678 CD LYS A 111 3.175 12.703 -4.607 1.00 0.00 C ATOM 1679 CE LYS A 111 1.868 13.279 -5.172 1.00 0.00 C ATOM 1680 NZ LYS A 111 1.668 13.012 -6.612 1.00 0.00 N ATOM 0 H LYS A 111 1.041 9.057 -2.579 1.00 0.00 H new ATOM 0 HA LYS A 111 3.497 10.044 -3.796 1.00 0.00 H new ATOM 0 HB2 LYS A 111 1.247 11.364 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.902 11.453 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 111 2.589 13.474 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 111 4.023 12.469 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.013 13.357 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.386 11.733 -5.057 1.00 0.00 H new ATOM 0 HE2 LYS A 111 1.029 12.862 -4.615 1.00 0.00 H new ATOM 0 HE3 LYS A 111 1.856 14.356 -5.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.650 12.981 -6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 2.114 13.768 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 2.100 12.099 -6.859 1.00 0.00 H new ATOM 1694 N LEU A 112 5.005 10.278 -1.687 1.00 0.00 N ATOM 1695 CA LEU A 112 5.817 10.545 -0.494 1.00 0.00 C ATOM 1696 C LEU A 112 5.294 11.804 0.225 1.00 0.00 C ATOM 1697 O LEU A 112 6.046 12.718 0.578 1.00 0.00 O ATOM 1698 CB LEU A 112 7.284 10.710 -0.925 1.00 0.00 C ATOM 1699 CG LEU A 112 8.311 10.826 0.222 1.00 0.00 C ATOM 1700 CD1 LEU A 112 8.441 9.566 1.080 1.00 0.00 C ATOM 1701 CD2 LEU A 112 9.632 11.230 -0.445 1.00 0.00 C ATOM 0 H LEU A 112 5.483 10.520 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 112 5.748 9.714 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.558 9.859 -1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 112 7.362 11.600 -1.549 1.00 0.00 H new ATOM 0 HG LEU A 112 7.981 11.571 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.182 9.733 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.478 9.336 1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.755 8.731 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 112 10.407 11.330 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.925 10.465 -1.164 1.00 0.00 H new ATOM 0 HD23 LEU A 112 9.503 12.182 -0.960 1.00 0.00 H new ATOM 1713 N ALA A 113 3.984 11.897 0.410 1.00 0.00 N ATOM 1714 CA ALA A 113 3.400 12.801 1.372 1.00 0.00 C ATOM 1715 C ALA A 113 3.458 12.040 2.690 1.00 0.00 C ATOM 1716 O ALA A 113 2.692 11.097 2.889 1.00 0.00 O ATOM 1717 CB ALA A 113 1.975 13.145 0.948 1.00 0.00 C ATOM 0 H ALA A 113 3.301 11.343 -0.107 1.00 0.00 H new ATOM 0 HA ALA A 113 3.920 13.755 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 113 1.534 13.828 1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 113 1.992 13.620 -0.033 1.00 0.00 H new ATOM 0 HB3 ALA A 113 1.380 12.233 0.899 1.00 0.00 H new ATOM 1723 N ASP A 114 4.420 12.384 3.545 1.00 0.00 N ATOM 1724 CA ASP A 114 4.463 11.887 4.912 1.00 0.00 C ATOM 1725 C ASP A 114 4.422 13.056 5.877 1.00 0.00 C ATOM 1726 O ASP A 114 5.373 13.342 6.604 1.00 0.00 O ATOM 1727 CB ASP A 114 5.672 10.994 5.146 1.00 0.00 C ATOM 1728 CG ASP A 114 5.585 10.298 6.504 1.00 0.00 C ATOM 1729 OD1 ASP A 114 4.589 10.452 7.254 1.00 0.00 O ATOM 1730 OD2 ASP A 114 6.528 9.535 6.811 1.00 0.00 O ATOM 0 H ASP A 114 5.187 13.013 3.307 1.00 0.00 H new ATOM 0 HA ASP A 114 3.587 11.263 5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 114 5.736 10.247 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 114 6.583 11.590 5.097 1.00 0.00 H new ATOM 1735 N LEU A 115 3.292 13.762 5.828 1.00 0.00 N ATOM 1736 CA LEU A 115 2.922 14.928 6.623 1.00 0.00 C ATOM 1737 C LEU A 115 3.884 16.109 6.521 1.00 0.00 C ATOM 1738 O LEU A 115 3.662 17.121 7.191 1.00 0.00 O ATOM 1739 CB LEU A 115 2.686 14.519 8.085 1.00 0.00 C ATOM 1740 CG LEU A 115 1.640 13.407 8.272 1.00 0.00 C ATOM 1741 CD1 LEU A 115 1.664 12.976 9.737 1.00 0.00 C ATOM 1742 CD2 LEU A 115 0.231 13.889 7.909 1.00 0.00 C ATOM 0 H LEU A 115 2.551 13.509 5.175 1.00 0.00 H new ATOM 0 HA LEU A 115 1.993 15.299 6.191 1.00 0.00 H new ATOM 0 HB2 LEU A 115 3.632 14.188 8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 115 2.370 15.397 8.649 1.00 0.00 H new ATOM 0 HG LEU A 115 1.886 12.576 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.929 12.187 9.896 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.657 12.604 9.991 1.00 0.00 H new ATOM 0 HD13 LEU A 115 1.423 13.829 10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -0.480 13.076 8.054 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.042 14.728 8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 115 0.212 14.206 6.866 1.00 0.00 H new ATOM 1754 N MET A 116 4.899 16.002 5.661 1.00 0.00 N ATOM 1755 CA MET A 116 6.126 16.785 5.719 1.00 0.00 C ATOM 1756 C MET A 116 6.766 16.593 7.095 1.00 0.00 C ATOM 1757 O MET A 116 6.674 17.436 7.989 1.00 0.00 O ATOM 1758 CB MET A 116 5.860 18.242 5.325 1.00 0.00 C ATOM 1759 CG MET A 116 7.128 19.095 5.319 1.00 0.00 C ATOM 1760 SD MET A 116 6.897 20.785 5.933 1.00 0.00 S ATOM 1761 CE MET A 116 6.670 20.407 7.692 1.00 0.00 C ATOM 0 H MET A 116 4.885 15.345 4.881 1.00 0.00 H new ATOM 0 HA MET A 116 6.853 16.435 4.986 1.00 0.00 H new ATOM 0 HB2 MET A 116 5.405 18.269 4.335 1.00 0.00 H new ATOM 0 HB3 MET A 116 5.139 18.675 6.019 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.886 18.601 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 116 7.515 19.141 4.301 1.00 0.00 H new ATOM 0 HE1 MET A 116 6.618 21.336 8.260 1.00 0.00 H new ATOM 0 HE2 MET A 116 5.745 19.847 7.827 1.00 0.00 H new ATOM 0 HE3 MET A 116 7.510 19.811 8.047 1.00 0.00 H new ATOM 1771 N ASN A 117 7.400 15.441 7.285 1.00 0.00 N ATOM 1772 CA ASN A 117 8.037 15.055 8.538 1.00 0.00 C ATOM 1773 C ASN A 117 9.113 14.000 8.276 1.00 0.00 C ATOM 1774 O ASN A 117 9.690 13.975 7.177 1.00 0.00 O ATOM 1775 CB ASN A 117 6.944 14.576 9.503 1.00 0.00 C ATOM 1776 CG ASN A 117 7.512 13.689 10.600 1.00 0.00 C ATOM 1777 OD1 ASN A 117 8.108 14.155 11.562 1.00 0.00 O ATOM 1778 ND2 ASN A 117 7.355 12.387 10.478 1.00 0.00 N ATOM 0 H ASN A 117 7.487 14.734 6.555 1.00 0.00 H new ATOM 0 HA ASN A 117 8.548 15.900 8.999 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.451 15.438 9.951 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.184 14.027 8.948 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.731 11.759 11.188 1.00 0.00 H new ATOM 0 HD22 ASN A 117 6.857 12.007 9.673 1.00 0.00 H new TER 1785 ASN A 117