USER MOD reduce.3.24.130724 H: found=0, std=0, add=985, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 985 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 40 TYR OH : rot -15:sc= 0.483 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -158:sc= -0.0721 (180deg=-2.3!) USER MOD Set 2.1: A 18 SER OG : rot -82:sc= 2.05 USER MOD Set 2.2: A 19 GLN : amide:sc= -0.794 K(o=-0.6,f=-3.5!) USER MOD Set 2.3: A 70 GLN : amide:sc= -0.919 K(o=-0.6,f=-2!) USER MOD Set 2.4: A 71 THR OG1 : rot 70:sc= -0.571 USER MOD Set 2.5: A 74 ASN : amide:sc= -0.375 K(o=-0.6,f=-4.4!) USER MOD Single : A 1 MET CE :methyl 136:sc= 0 (180deg=-0.677) USER MOD Single : A 1 MET N :NH3+ -175:sc= -0.0866 (180deg=-0.135) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= -0.467 K(o=-0.47,f=-3.3!) USER MOD Single : A 20 SER OG : rot 79:sc= 1.06 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.0486 F(o=-3.1!,f=-0.049) USER MOD Single : A 36 GLN : amide:sc= -0.0709 X(o=-0.071,f=-0.23) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 43 SER OG : rot 84:sc= 0.51 USER MOD Single : A 46 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 48 MET CE :methyl -114:sc= -1.34 (180deg=-1.81) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.497 X(o=-0.5,f=0) USER MOD Single : A 52 THR OG1 : rot -71:sc= 0.307 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0775 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -0.85 F(o=-1.7!,f=-0.85) USER MOD Single : A 63 MET CE :methyl 176:sc= -0.439 (180deg=-0.562) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -158:sc= 0.364 (180deg=-0.0683) USER MOD Single : A 76 GLN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 83 GLN : amide:sc= 0.414 K(o=0.41,f=-0.12) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0378 F(o=-0.62,f=-0.038) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -170:sc= -0.145 USER MOD Single : A 95 GLN : amide:sc= -0.626 X(o=-0.63,f=-0.28) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -47:sc= 0.613 USER MOD Single : A 99 GLN : amide:sc= -0.275 K(o=-0.27,f=-5.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot -153:sc= 1.49 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl 140:sc= -3.16 (180deg=-4.7!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.346 2.871 20.874 1.00 1.24 N ATOM 2 CA MET A 1 2.689 1.967 19.901 1.00 61.13 C ATOM 3 C MET A 1 1.658 2.732 19.032 1.00 14.14 C ATOM 4 O MET A 1 1.338 2.276 17.944 1.00 65.11 O ATOM 5 CB MET A 1 2.042 0.765 20.654 1.00 13.24 C ATOM 6 CG MET A 1 1.222 -0.196 19.780 1.00 42.44 C ATOM 7 SD MET A 1 2.155 -0.887 18.400 1.00 2.45 S ATOM 8 CE MET A 1 0.899 -1.873 17.578 1.00 5.10 C ATOM 0 H1 MET A 1 4.090 2.352 21.383 1.00 1.24 H new ATOM 0 H2 MET A 1 3.769 3.676 20.369 1.00 1.24 H new ATOM 0 H3 MET A 1 2.641 3.221 21.554 1.00 1.24 H new ATOM 0 HA MET A 1 3.441 1.574 19.217 1.00 61.13 H new ATOM 0 HB2 MET A 1 2.833 0.198 21.145 1.00 13.24 H new ATOM 0 HB3 MET A 1 1.395 1.156 21.440 1.00 13.24 H new ATOM 0 HG2 MET A 1 0.850 -1.011 20.401 1.00 42.44 H new ATOM 0 HG3 MET A 1 0.351 0.332 19.391 1.00 42.44 H new ATOM 0 HE1 MET A 1 0.961 -1.717 16.501 1.00 5.10 H new ATOM 0 HE2 MET A 1 1.060 -2.928 17.802 1.00 5.10 H new ATOM 0 HE3 MET A 1 -0.088 -1.573 17.931 1.00 5.10 H new ATOM 20 N THR A 2 1.199 3.920 19.494 1.00 3.23 N ATOM 21 CA THR A 2 0.138 4.724 18.827 1.00 31.11 C ATOM 22 C THR A 2 0.460 5.015 17.330 1.00 60.22 C ATOM 23 O THR A 2 -0.390 4.791 16.444 1.00 64.42 O ATOM 24 CB THR A 2 -0.082 6.068 19.608 1.00 71.25 C ATOM 25 OG1 THR A 2 -0.401 5.783 20.984 1.00 22.14 O ATOM 26 CG2 THR A 2 -1.201 6.939 18.993 1.00 41.42 C ATOM 0 H THR A 2 1.555 4.353 20.346 1.00 3.23 H new ATOM 0 HA THR A 2 -0.778 4.133 18.845 1.00 31.11 H new ATOM 0 HB THR A 2 0.847 6.634 19.539 1.00 71.25 H new ATOM 0 HG1 THR A 2 -0.536 6.624 21.469 1.00 22.14 H new ATOM 0 HG21 THR A 2 -1.309 7.855 19.573 1.00 41.42 H new ATOM 0 HG22 THR A 2 -0.943 7.190 17.964 1.00 41.42 H new ATOM 0 HG23 THR A 2 -2.141 6.387 19.007 1.00 41.42 H new ATOM 34 N SER A 3 1.709 5.462 17.060 1.00 1.11 N ATOM 35 CA SER A 3 2.191 5.730 15.685 1.00 41.23 C ATOM 36 C SER A 3 2.193 4.438 14.849 1.00 43.33 C ATOM 37 O SER A 3 1.845 4.460 13.669 1.00 12.31 O ATOM 38 CB SER A 3 3.616 6.338 15.712 1.00 50.32 C ATOM 39 OG SER A 3 4.111 6.586 14.399 1.00 34.13 O ATOM 0 H SER A 3 2.405 5.646 17.782 1.00 1.11 H new ATOM 0 HA SER A 3 1.511 6.447 15.226 1.00 41.23 H new ATOM 0 HB2 SER A 3 3.603 7.270 16.277 1.00 50.32 H new ATOM 0 HB3 SER A 3 4.291 5.659 16.233 1.00 50.32 H new ATOM 0 HG SER A 3 5.011 6.970 14.456 1.00 34.13 H new ATOM 45 N THR A 4 2.569 3.315 15.503 1.00 13.44 N ATOM 46 CA THR A 4 2.623 1.983 14.870 1.00 23.41 C ATOM 47 C THR A 4 1.202 1.462 14.549 1.00 73.41 C ATOM 48 O THR A 4 1.008 0.792 13.542 1.00 31.42 O ATOM 49 CB THR A 4 3.389 0.950 15.778 1.00 72.42 C ATOM 50 OG1 THR A 4 4.622 1.524 16.245 1.00 53.51 O ATOM 51 CG2 THR A 4 3.710 -0.361 15.033 1.00 11.33 C ATOM 0 H THR A 4 2.843 3.310 16.485 1.00 13.44 H new ATOM 0 HA THR A 4 3.172 2.089 13.934 1.00 23.41 H new ATOM 0 HB THR A 4 2.730 0.717 16.614 1.00 72.42 H new ATOM 0 HG1 THR A 4 5.091 0.876 16.810 1.00 53.51 H new ATOM 0 HG21 THR A 4 4.238 -1.040 15.702 1.00 11.33 H new ATOM 0 HG22 THR A 4 2.782 -0.827 14.701 1.00 11.33 H new ATOM 0 HG23 THR A 4 4.337 -0.144 14.168 1.00 11.33 H new ATOM 59 N VAL A 5 0.216 1.813 15.401 1.00 64.42 N ATOM 60 CA VAL A 5 -1.206 1.443 15.204 1.00 70.13 C ATOM 61 C VAL A 5 -1.750 2.118 13.932 1.00 11.43 C ATOM 62 O VAL A 5 -2.354 1.453 13.074 1.00 65.41 O ATOM 63 CB VAL A 5 -2.085 1.850 16.459 1.00 63.43 C ATOM 64 CG1 VAL A 5 -3.601 1.677 16.200 1.00 1.15 C ATOM 65 CG2 VAL A 5 -1.661 1.055 17.714 1.00 5.34 C ATOM 0 H VAL A 5 0.381 2.361 16.245 1.00 64.42 H new ATOM 0 HA VAL A 5 -1.265 0.360 15.092 1.00 70.13 H new ATOM 0 HB VAL A 5 -1.904 2.910 16.635 1.00 63.43 H new ATOM 0 HG11 VAL A 5 -4.158 1.969 17.090 1.00 1.15 H new ATOM 0 HG12 VAL A 5 -3.901 2.306 15.362 1.00 1.15 H new ATOM 0 HG13 VAL A 5 -3.813 0.634 15.965 1.00 1.15 H new ATOM 0 HG21 VAL A 5 -2.280 1.354 18.560 1.00 5.34 H new ATOM 0 HG22 VAL A 5 -1.789 -0.012 17.529 1.00 5.34 H new ATOM 0 HG23 VAL A 5 -0.615 1.261 17.939 1.00 5.34 H new ATOM 75 N GLU A 6 -1.493 3.440 13.818 1.00 3.31 N ATOM 76 CA GLU A 6 -1.863 4.220 12.619 1.00 23.52 C ATOM 77 C GLU A 6 -1.129 3.696 11.377 1.00 51.15 C ATOM 78 O GLU A 6 -1.727 3.561 10.316 1.00 40.23 O ATOM 79 CB GLU A 6 -1.541 5.720 12.831 1.00 24.40 C ATOM 80 CG GLU A 6 -2.330 6.376 13.975 1.00 74.00 C ATOM 81 CD GLU A 6 -3.852 6.354 13.747 1.00 51.22 C ATOM 82 OE1 GLU A 6 -4.357 7.208 12.989 1.00 72.13 O ATOM 83 OE2 GLU A 6 -4.544 5.485 14.320 1.00 4.24 O ATOM 0 H GLU A 6 -1.030 3.988 14.543 1.00 3.31 H new ATOM 0 HA GLU A 6 -2.935 4.106 12.460 1.00 23.52 H new ATOM 0 HB2 GLU A 6 -0.475 5.827 13.031 1.00 24.40 H new ATOM 0 HB3 GLU A 6 -1.747 6.259 11.906 1.00 24.40 H new ATOM 0 HG2 GLU A 6 -2.101 5.862 14.908 1.00 74.00 H new ATOM 0 HG3 GLU A 6 -2.001 7.409 14.091 1.00 74.00 H new ATOM 90 N PHE A 7 0.158 3.366 11.562 1.00 41.42 N ATOM 91 CA PHE A 7 1.064 2.912 10.494 1.00 34.42 C ATOM 92 C PHE A 7 0.546 1.605 9.848 1.00 23.00 C ATOM 93 O PHE A 7 0.475 1.500 8.610 1.00 3.31 O ATOM 94 CB PHE A 7 2.488 2.721 11.090 1.00 51.35 C ATOM 95 CG PHE A 7 3.572 2.362 10.087 1.00 51.34 C ATOM 96 CD1 PHE A 7 3.978 3.286 9.125 1.00 51.04 C ATOM 97 CD2 PHE A 7 4.193 1.110 10.108 1.00 1.45 C ATOM 98 CE1 PHE A 7 4.964 2.969 8.217 1.00 31.33 C ATOM 99 CE2 PHE A 7 5.179 0.799 9.197 1.00 20.35 C ATOM 100 CZ PHE A 7 5.560 1.725 8.252 1.00 63.11 C ATOM 0 H PHE A 7 0.608 3.408 12.476 1.00 41.42 H new ATOM 0 HA PHE A 7 1.104 3.664 9.706 1.00 34.42 H new ATOM 0 HB2 PHE A 7 2.777 3.641 11.598 1.00 51.35 H new ATOM 0 HB3 PHE A 7 2.444 1.939 11.848 1.00 51.35 H new ATOM 0 HD1 PHE A 7 3.514 4.261 9.091 1.00 51.04 H new ATOM 0 HD2 PHE A 7 3.897 0.379 10.846 1.00 1.45 H new ATOM 0 HE1 PHE A 7 5.271 3.694 7.478 1.00 31.33 H new ATOM 0 HE2 PHE A 7 5.653 -0.171 9.224 1.00 20.35 H new ATOM 0 HZ PHE A 7 6.329 1.477 7.535 1.00 63.11 H new ATOM 110 N ILE A 8 0.144 0.639 10.711 1.00 74.31 N ATOM 111 CA ILE A 8 -0.459 -0.636 10.278 1.00 12.11 C ATOM 112 C ILE A 8 -1.768 -0.358 9.538 1.00 50.44 C ATOM 113 O ILE A 8 -1.926 -0.795 8.414 1.00 53.33 O ATOM 114 CB ILE A 8 -0.760 -1.618 11.483 1.00 32.44 C ATOM 115 CG1 ILE A 8 0.548 -1.996 12.243 1.00 34.51 C ATOM 116 CG2 ILE A 8 -1.500 -2.901 11.002 1.00 60.51 C ATOM 117 CD1 ILE A 8 0.327 -2.833 13.493 1.00 11.14 C ATOM 0 H ILE A 8 0.231 0.726 11.724 1.00 74.31 H new ATOM 0 HA ILE A 8 0.268 -1.122 9.627 1.00 12.11 H new ATOM 0 HB ILE A 8 -1.417 -1.089 12.174 1.00 32.44 H new ATOM 0 HG12 ILE A 8 1.203 -2.543 11.565 1.00 34.51 H new ATOM 0 HG13 ILE A 8 1.070 -1.080 12.521 1.00 34.51 H new ATOM 0 HG21 ILE A 8 -1.691 -3.552 11.855 1.00 60.51 H new ATOM 0 HG22 ILE A 8 -2.447 -2.623 10.539 1.00 60.51 H new ATOM 0 HG23 ILE A 8 -0.881 -3.427 10.275 1.00 60.51 H new ATOM 0 HD11 ILE A 8 1.288 -3.051 13.960 1.00 11.14 H new ATOM 0 HD12 ILE A 8 -0.300 -2.282 14.194 1.00 11.14 H new ATOM 0 HD13 ILE A 8 -0.165 -3.767 13.223 1.00 11.14 H new ATOM 129 N ASN A 9 -2.669 0.421 10.186 1.00 43.22 N ATOM 130 CA ASN A 9 -4.030 0.702 9.673 1.00 23.41 C ATOM 131 C ASN A 9 -3.991 1.376 8.281 1.00 43.03 C ATOM 132 O ASN A 9 -4.852 1.119 7.431 1.00 65.21 O ATOM 133 CB ASN A 9 -4.819 1.584 10.680 1.00 34.41 C ATOM 134 CG ASN A 9 -6.262 1.867 10.222 1.00 40.21 C ATOM 135 OD1 ASN A 9 -6.540 2.875 9.571 1.00 42.24 O ATOM 136 ND2 ASN A 9 -7.181 0.959 10.521 1.00 4.32 N ATOM 0 H ASN A 9 -2.471 0.872 11.079 1.00 43.22 H new ATOM 0 HA ASN A 9 -4.542 -0.254 9.562 1.00 23.41 H new ATOM 0 HB2 ASN A 9 -4.841 1.088 11.650 1.00 34.41 H new ATOM 0 HB3 ASN A 9 -4.294 2.529 10.817 1.00 34.41 H new ATOM 0 HD21 ASN A 9 -8.144 1.087 10.210 1.00 4.32 H new ATOM 0 HD22 ASN A 9 -6.925 0.133 11.062 1.00 4.32 H new ATOM 143 N ARG A 10 -2.968 2.214 8.057 1.00 12.21 N ATOM 144 CA ARG A 10 -2.787 2.938 6.789 1.00 3.42 C ATOM 145 C ARG A 10 -2.198 2.017 5.707 1.00 25.55 C ATOM 146 O ARG A 10 -2.579 2.125 4.541 1.00 22.30 O ATOM 147 CB ARG A 10 -1.900 4.184 7.000 1.00 3.43 C ATOM 148 CG ARG A 10 -2.549 5.277 7.870 1.00 13.14 C ATOM 149 CD ARG A 10 -1.605 6.454 8.161 1.00 63.42 C ATOM 150 NE ARG A 10 -2.220 7.383 9.112 1.00 71.10 N ATOM 151 CZ ARG A 10 -1.608 8.393 9.738 1.00 23.32 C ATOM 152 NH1 ARG A 10 -0.320 8.653 9.530 1.00 4.41 N ATOM 153 NH2 ARG A 10 -2.306 9.135 10.586 1.00 72.44 N ATOM 0 H ARG A 10 -2.244 2.409 8.748 1.00 12.21 H new ATOM 0 HA ARG A 10 -3.766 3.271 6.443 1.00 3.42 H new ATOM 0 HB2 ARG A 10 -0.962 3.875 7.462 1.00 3.43 H new ATOM 0 HB3 ARG A 10 -1.651 4.609 6.027 1.00 3.43 H new ATOM 0 HG2 ARG A 10 -3.442 5.650 7.368 1.00 13.14 H new ATOM 0 HG3 ARG A 10 -2.874 4.837 8.813 1.00 13.14 H new ATOM 0 HD2 ARG A 10 -0.664 6.081 8.565 1.00 63.42 H new ATOM 0 HD3 ARG A 10 -1.369 6.977 7.234 1.00 63.42 H new ATOM 0 HE ARG A 10 -3.210 7.246 9.316 1.00 71.10 H new ATOM 0 HH11 ARG A 10 0.219 8.077 8.883 1.00 4.41 H new ATOM 0 HH12 ARG A 10 0.129 9.428 10.017 1.00 4.41 H new ATOM 0 HH21 ARG A 10 -3.292 8.931 10.751 1.00 72.44 H new ATOM 0 HH22 ARG A 10 -1.857 9.910 11.074 1.00 72.44 H new ATOM 167 N TRP A 11 -1.276 1.106 6.093 1.00 1.32 N ATOM 168 CA TRP A 11 -0.768 0.066 5.165 1.00 41.44 C ATOM 169 C TRP A 11 -1.832 -1.004 4.880 1.00 63.41 C ATOM 170 O TRP A 11 -1.799 -1.632 3.818 1.00 4.43 O ATOM 171 CB TRP A 11 0.552 -0.582 5.673 1.00 31.42 C ATOM 172 CG TRP A 11 1.785 0.226 5.328 1.00 32.54 C ATOM 173 CD1 TRP A 11 2.630 0.866 6.184 1.00 40.43 C ATOM 174 CD2 TRP A 11 2.287 0.494 4.000 1.00 53.32 C ATOM 175 NE1 TRP A 11 3.638 1.478 5.484 1.00 42.03 N ATOM 176 CE2 TRP A 11 3.447 1.271 4.148 1.00 11.13 C ATOM 177 CE3 TRP A 11 1.878 0.137 2.706 1.00 74.35 C ATOM 178 CZ2 TRP A 11 4.207 1.698 3.059 1.00 50.04 C ATOM 179 CZ3 TRP A 11 2.623 0.574 1.623 1.00 74.03 C ATOM 180 CH2 TRP A 11 3.779 1.346 1.806 1.00 23.22 C ATOM 0 H TRP A 11 -0.872 1.068 7.029 1.00 1.32 H new ATOM 0 HA TRP A 11 -0.539 0.571 4.226 1.00 41.44 H new ATOM 0 HB2 TRP A 11 0.496 -0.704 6.755 1.00 31.42 H new ATOM 0 HB3 TRP A 11 0.648 -1.580 5.244 1.00 31.42 H new ATOM 0 HD1 TRP A 11 2.522 0.888 7.258 1.00 40.43 H new ATOM 0 HE1 TRP A 11 4.408 2.004 5.896 1.00 42.03 H new ATOM 0 HE3 TRP A 11 0.996 -0.469 2.557 1.00 74.35 H new ATOM 0 HZ2 TRP A 11 5.102 2.286 3.199 1.00 50.04 H new ATOM 0 HZ3 TRP A 11 2.309 0.316 0.622 1.00 74.03 H new ATOM 0 HH2 TRP A 11 4.343 1.669 0.943 1.00 23.22 H new ATOM 191 N GLN A 12 -2.777 -1.189 5.825 1.00 33.24 N ATOM 192 CA GLN A 12 -3.969 -2.022 5.611 1.00 73.45 C ATOM 193 C GLN A 12 -4.841 -1.342 4.571 1.00 65.14 C ATOM 194 O GLN A 12 -5.309 -1.977 3.656 1.00 63.30 O ATOM 195 CB GLN A 12 -4.818 -2.221 6.900 1.00 11.11 C ATOM 196 CG GLN A 12 -4.149 -3.011 8.025 1.00 51.31 C ATOM 197 CD GLN A 12 -5.090 -3.245 9.206 1.00 30.54 C ATOM 198 OE1 GLN A 12 -5.151 -2.441 10.130 1.00 54.44 O ATOM 199 NE2 GLN A 12 -5.867 -4.324 9.157 1.00 64.42 N ATOM 0 H GLN A 12 -2.732 -0.766 6.752 1.00 33.24 H new ATOM 0 HA GLN A 12 -3.626 -3.006 5.291 1.00 73.45 H new ATOM 0 HB2 GLN A 12 -5.093 -1.239 7.286 1.00 11.11 H new ATOM 0 HB3 GLN A 12 -5.744 -2.728 6.627 1.00 11.11 H new ATOM 0 HG2 GLN A 12 -3.808 -3.972 7.639 1.00 51.31 H new ATOM 0 HG3 GLN A 12 -3.265 -2.473 8.368 1.00 51.31 H new ATOM 0 HE21 GLN A 12 -5.790 -4.973 8.373 1.00 64.42 H new ATOM 0 HE22 GLN A 12 -6.539 -4.503 9.903 1.00 64.42 H new ATOM 208 N ARG A 13 -5.008 -0.020 4.734 1.00 71.33 N ATOM 209 CA ARG A 13 -5.863 0.795 3.871 1.00 22.43 C ATOM 210 C ARG A 13 -5.376 0.740 2.406 1.00 61.54 C ATOM 211 O ARG A 13 -6.179 0.549 1.504 1.00 25.43 O ATOM 212 CB ARG A 13 -5.911 2.258 4.385 1.00 1.02 C ATOM 213 CG ARG A 13 -6.891 3.164 3.612 1.00 52.23 C ATOM 214 CD ARG A 13 -8.371 2.773 3.800 1.00 34.13 C ATOM 215 NE ARG A 13 -9.271 3.565 2.935 1.00 44.33 N ATOM 216 CZ ARG A 13 -9.589 4.858 3.113 1.00 42.14 C ATOM 217 NH1 ARG A 13 -9.092 5.558 4.128 1.00 54.41 N ATOM 218 NH2 ARG A 13 -10.416 5.446 2.264 1.00 62.11 N ATOM 0 H ARG A 13 -4.549 0.512 5.474 1.00 71.33 H new ATOM 0 HA ARG A 13 -6.873 0.388 3.903 1.00 22.43 H new ATOM 0 HB2 ARG A 13 -6.191 2.253 5.438 1.00 1.02 H new ATOM 0 HB3 ARG A 13 -4.911 2.687 4.323 1.00 1.02 H new ATOM 0 HG2 ARG A 13 -6.752 4.195 3.936 1.00 52.23 H new ATOM 0 HG3 ARG A 13 -6.646 3.128 2.550 1.00 52.23 H new ATOM 0 HD2 ARG A 13 -8.496 1.713 3.578 1.00 34.13 H new ATOM 0 HD3 ARG A 13 -8.653 2.916 4.843 1.00 34.13 H new ATOM 0 HE ARG A 13 -9.686 3.089 2.134 1.00 44.33 H new ATOM 0 HH11 ARG A 13 -8.456 5.114 4.790 1.00 54.41 H new ATOM 0 HH12 ARG A 13 -9.347 6.539 4.244 1.00 54.41 H new ATOM 0 HH21 ARG A 13 -10.806 4.918 1.483 1.00 62.11 H new ATOM 0 HH22 ARG A 13 -10.664 6.427 2.390 1.00 62.11 H new ATOM 232 N ILE A 14 -4.046 0.856 2.195 1.00 62.04 N ATOM 233 CA ILE A 14 -3.443 0.775 0.847 1.00 14.45 C ATOM 234 C ILE A 14 -3.575 -0.663 0.293 1.00 30.42 C ATOM 235 O ILE A 14 -3.990 -0.847 -0.854 1.00 13.33 O ATOM 236 CB ILE A 14 -1.925 1.208 0.847 1.00 14.25 C ATOM 237 CG1 ILE A 14 -1.735 2.619 1.483 1.00 14.10 C ATOM 238 CG2 ILE A 14 -1.342 1.192 -0.590 1.00 74.30 C ATOM 239 CD1 ILE A 14 -0.283 3.040 1.638 1.00 41.05 C ATOM 0 H ILE A 14 -3.369 1.006 2.943 1.00 62.04 H new ATOM 0 HA ILE A 14 -3.985 1.470 0.206 1.00 14.45 H new ATOM 0 HB ILE A 14 -1.383 0.483 1.454 1.00 14.25 H new ATOM 0 HG12 ILE A 14 -2.252 3.355 0.868 1.00 14.10 H new ATOM 0 HG13 ILE A 14 -2.212 2.631 2.463 1.00 14.10 H new ATOM 0 HG21 ILE A 14 -0.295 1.494 -0.561 1.00 74.30 H new ATOM 0 HG22 ILE A 14 -1.418 0.186 -1.002 1.00 74.30 H new ATOM 0 HG23 ILE A 14 -1.903 1.885 -1.218 1.00 74.30 H new ATOM 0 HD11 ILE A 14 -0.238 4.032 2.087 1.00 41.05 H new ATOM 0 HD12 ILE A 14 0.236 2.327 2.279 1.00 41.05 H new ATOM 0 HD13 ILE A 14 0.196 3.063 0.659 1.00 41.05 H new ATOM 251 N ALA A 15 -3.251 -1.663 1.148 1.00 21.23 N ATOM 252 CA ALA A 15 -3.315 -3.103 0.795 1.00 64.02 C ATOM 253 C ALA A 15 -4.722 -3.507 0.323 1.00 0.34 C ATOM 254 O ALA A 15 -4.893 -4.100 -0.750 1.00 25.11 O ATOM 255 CB ALA A 15 -2.913 -3.960 2.010 1.00 25.01 C ATOM 0 H ALA A 15 -2.937 -1.494 2.104 1.00 21.23 H new ATOM 0 HA ALA A 15 -2.619 -3.275 -0.026 1.00 64.02 H new ATOM 0 HB1 ALA A 15 -2.962 -5.016 1.743 1.00 25.01 H new ATOM 0 HB2 ALA A 15 -1.896 -3.709 2.312 1.00 25.01 H new ATOM 0 HB3 ALA A 15 -3.596 -3.762 2.836 1.00 25.01 H new ATOM 261 N LEU A 16 -5.711 -3.104 1.126 1.00 11.23 N ATOM 262 CA LEU A 16 -7.126 -3.489 0.967 1.00 71.45 C ATOM 263 C LEU A 16 -7.753 -2.762 -0.224 1.00 5.44 C ATOM 264 O LEU A 16 -8.474 -3.384 -1.002 1.00 62.40 O ATOM 265 CB LEU A 16 -7.938 -3.195 2.268 1.00 44.34 C ATOM 266 CG LEU A 16 -7.582 -4.069 3.520 1.00 25.45 C ATOM 267 CD1 LEU A 16 -8.339 -3.582 4.783 1.00 12.42 C ATOM 268 CD2 LEU A 16 -7.843 -5.565 3.243 1.00 34.34 C ATOM 0 H LEU A 16 -5.552 -2.488 1.923 1.00 11.23 H new ATOM 0 HA LEU A 16 -7.160 -4.562 0.779 1.00 71.45 H new ATOM 0 HB2 LEU A 16 -7.796 -2.147 2.531 1.00 44.34 H new ATOM 0 HB3 LEU A 16 -8.997 -3.328 2.048 1.00 44.34 H new ATOM 0 HG LEU A 16 -6.516 -3.951 3.717 1.00 25.45 H new ATOM 0 HD11 LEU A 16 -8.070 -4.209 5.633 1.00 12.42 H new ATOM 0 HD12 LEU A 16 -8.067 -2.548 4.994 1.00 12.42 H new ATOM 0 HD13 LEU A 16 -9.413 -3.646 4.611 1.00 12.42 H new ATOM 0 HD21 LEU A 16 -7.588 -6.149 4.127 1.00 34.34 H new ATOM 0 HD22 LEU A 16 -8.896 -5.712 3.002 1.00 34.34 H new ATOM 0 HD23 LEU A 16 -7.230 -5.892 2.403 1.00 34.34 H new ATOM 280 N LEU A 17 -7.470 -1.440 -0.355 1.00 22.32 N ATOM 281 CA LEU A 17 -7.985 -0.620 -1.475 1.00 5.33 C ATOM 282 C LEU A 17 -7.482 -1.162 -2.813 1.00 72.30 C ATOM 283 O LEU A 17 -8.289 -1.481 -3.671 1.00 74.11 O ATOM 284 CB LEU A 17 -7.616 0.895 -1.343 1.00 2.44 C ATOM 285 CG LEU A 17 -8.421 1.716 -0.285 1.00 53.30 C ATOM 286 CD1 LEU A 17 -7.958 3.194 -0.265 1.00 2.41 C ATOM 287 CD2 LEU A 17 -9.942 1.598 -0.536 1.00 72.10 C ATOM 0 H LEU A 17 -6.888 -0.922 0.303 1.00 22.32 H new ATOM 0 HA LEU A 17 -9.072 -0.691 -1.434 1.00 5.33 H new ATOM 0 HB2 LEU A 17 -6.556 0.969 -1.098 1.00 2.44 H new ATOM 0 HB3 LEU A 17 -7.752 1.366 -2.317 1.00 2.44 H new ATOM 0 HG LEU A 17 -8.219 1.296 0.700 1.00 53.30 H new ATOM 0 HD11 LEU A 17 -8.533 3.745 0.479 1.00 2.41 H new ATOM 0 HD12 LEU A 17 -6.899 3.240 -0.012 1.00 2.41 H new ATOM 0 HD13 LEU A 17 -8.116 3.638 -1.248 1.00 2.41 H new ATOM 0 HD21 LEU A 17 -10.481 2.178 0.213 1.00 72.10 H new ATOM 0 HD22 LEU A 17 -10.178 1.980 -1.529 1.00 72.10 H new ATOM 0 HD23 LEU A 17 -10.242 0.552 -0.469 1.00 72.10 H new ATOM 299 N SER A 18 -6.152 -1.324 -2.942 1.00 45.20 N ATOM 300 CA SER A 18 -5.512 -1.757 -4.202 1.00 4.13 C ATOM 301 C SER A 18 -5.917 -3.198 -4.567 1.00 22.02 C ATOM 302 O SER A 18 -6.030 -3.530 -5.750 1.00 5.31 O ATOM 303 CB SER A 18 -3.983 -1.657 -4.084 1.00 35.11 C ATOM 304 OG SER A 18 -3.510 -2.507 -3.054 1.00 1.22 O ATOM 0 H SER A 18 -5.492 -1.160 -2.181 1.00 45.20 H new ATOM 0 HA SER A 18 -5.855 -1.094 -4.997 1.00 4.13 H new ATOM 0 HB2 SER A 18 -3.520 -1.932 -5.032 1.00 35.11 H new ATOM 0 HB3 SER A 18 -3.695 -0.627 -3.875 1.00 35.11 H new ATOM 0 HG SER A 18 -3.610 -2.059 -2.188 1.00 1.22 H new ATOM 310 N GLN A 19 -6.125 -4.047 -3.531 1.00 10.14 N ATOM 311 CA GLN A 19 -6.609 -5.432 -3.714 1.00 33.24 C ATOM 312 C GLN A 19 -8.071 -5.442 -4.191 1.00 53.24 C ATOM 313 O GLN A 19 -8.454 -6.255 -5.036 1.00 1.40 O ATOM 314 CB GLN A 19 -6.432 -6.247 -2.403 1.00 3.42 C ATOM 315 CG GLN A 19 -6.711 -7.762 -2.517 1.00 34.15 C ATOM 316 CD GLN A 19 -5.957 -8.431 -3.671 1.00 10.42 C ATOM 317 OE1 GLN A 19 -6.481 -8.554 -4.777 1.00 22.44 O ATOM 318 NE2 GLN A 19 -4.720 -8.839 -3.433 1.00 23.43 N ATOM 0 H GLN A 19 -5.963 -3.792 -2.557 1.00 10.14 H new ATOM 0 HA GLN A 19 -6.009 -5.910 -4.488 1.00 33.24 H new ATOM 0 HB2 GLN A 19 -5.411 -6.109 -2.046 1.00 3.42 H new ATOM 0 HB3 GLN A 19 -7.094 -5.830 -1.645 1.00 3.42 H new ATOM 0 HG2 GLN A 19 -6.434 -8.247 -1.581 1.00 34.15 H new ATOM 0 HG3 GLN A 19 -7.781 -7.918 -2.652 1.00 34.15 H new ATOM 0 HE21 GLN A 19 -4.314 -8.722 -2.504 1.00 23.43 H new ATOM 0 HE22 GLN A 19 -4.173 -9.270 -4.178 1.00 23.43 H new ATOM 327 N SER A 20 -8.864 -4.499 -3.663 1.00 1.43 N ATOM 328 CA SER A 20 -10.252 -4.289 -4.094 1.00 44.14 C ATOM 329 C SER A 20 -10.296 -3.697 -5.514 1.00 60.42 C ATOM 330 O SER A 20 -11.186 -4.018 -6.283 1.00 63.03 O ATOM 331 CB SER A 20 -10.987 -3.369 -3.100 1.00 40.40 C ATOM 332 OG SER A 20 -11.064 -3.970 -1.815 1.00 10.24 O ATOM 0 H SER A 20 -8.561 -3.862 -2.926 1.00 1.43 H new ATOM 0 HA SER A 20 -10.758 -5.254 -4.112 1.00 44.14 H new ATOM 0 HB2 SER A 20 -10.466 -2.414 -3.029 1.00 40.40 H new ATOM 0 HB3 SER A 20 -11.991 -3.158 -3.468 1.00 40.40 H new ATOM 0 HG SER A 20 -10.207 -3.864 -1.352 1.00 10.24 H new ATOM 338 N LEU A 21 -9.292 -2.862 -5.853 1.00 65.14 N ATOM 339 CA LEU A 21 -9.173 -2.244 -7.186 1.00 5.21 C ATOM 340 C LEU A 21 -8.714 -3.287 -8.209 1.00 23.41 C ATOM 341 O LEU A 21 -9.054 -3.189 -9.383 1.00 42.22 O ATOM 342 CB LEU A 21 -8.200 -1.025 -7.168 1.00 2.40 C ATOM 343 CG LEU A 21 -8.612 0.184 -6.269 1.00 1.12 C ATOM 344 CD1 LEU A 21 -7.663 1.390 -6.473 1.00 0.11 C ATOM 345 CD2 LEU A 21 -10.090 0.565 -6.485 1.00 5.32 C ATOM 0 H LEU A 21 -8.544 -2.599 -5.211 1.00 65.14 H new ATOM 0 HA LEU A 21 -10.156 -1.872 -7.475 1.00 5.21 H new ATOM 0 HB2 LEU A 21 -7.221 -1.375 -6.841 1.00 2.40 H new ATOM 0 HB3 LEU A 21 -8.085 -0.666 -8.191 1.00 2.40 H new ATOM 0 HG LEU A 21 -8.511 -0.125 -5.229 1.00 1.12 H new ATOM 0 HD11 LEU A 21 -7.978 2.214 -5.832 1.00 0.11 H new ATOM 0 HD12 LEU A 21 -6.645 1.099 -6.215 1.00 0.11 H new ATOM 0 HD13 LEU A 21 -7.697 1.707 -7.515 1.00 0.11 H new ATOM 0 HD21 LEU A 21 -10.345 1.410 -5.845 1.00 5.32 H new ATOM 0 HD22 LEU A 21 -10.246 0.840 -7.528 1.00 5.32 H new ATOM 0 HD23 LEU A 21 -10.725 -0.285 -6.235 1.00 5.32 H new ATOM 357 N LEU A 22 -7.948 -4.289 -7.732 1.00 35.32 N ATOM 358 CA LEU A 22 -7.519 -5.436 -8.545 1.00 55.14 C ATOM 359 C LEU A 22 -8.740 -6.289 -8.904 1.00 53.34 C ATOM 360 O LEU A 22 -8.958 -6.613 -10.077 1.00 71.41 O ATOM 361 CB LEU A 22 -6.444 -6.272 -7.801 1.00 1.13 C ATOM 362 CG LEU A 22 -5.858 -7.488 -8.588 1.00 51.13 C ATOM 363 CD1 LEU A 22 -5.207 -7.048 -9.922 1.00 33.32 C ATOM 364 CD2 LEU A 22 -4.866 -8.282 -7.710 1.00 22.03 C ATOM 0 H LEU A 22 -7.611 -4.322 -6.770 1.00 35.32 H new ATOM 0 HA LEU A 22 -7.062 -5.073 -9.466 1.00 55.14 H new ATOM 0 HB2 LEU A 22 -5.622 -5.610 -7.529 1.00 1.13 H new ATOM 0 HB3 LEU A 22 -6.878 -6.641 -6.872 1.00 1.13 H new ATOM 0 HG LEU A 22 -6.687 -8.149 -8.842 1.00 51.13 H new ATOM 0 HD11 LEU A 22 -4.811 -7.922 -10.440 1.00 33.32 H new ATOM 0 HD12 LEU A 22 -5.955 -6.563 -10.549 1.00 33.32 H new ATOM 0 HD13 LEU A 22 -4.396 -6.349 -9.718 1.00 33.32 H new ATOM 0 HD21 LEU A 22 -4.471 -9.124 -8.278 1.00 22.03 H new ATOM 0 HD22 LEU A 22 -4.046 -7.631 -7.408 1.00 22.03 H new ATOM 0 HD23 LEU A 22 -5.381 -8.652 -6.823 1.00 22.03 H new ATOM 376 N GLU A 23 -9.551 -6.589 -7.871 1.00 21.42 N ATOM 377 CA GLU A 23 -10.846 -7.271 -8.009 1.00 44.10 C ATOM 378 C GLU A 23 -11.731 -6.586 -9.066 1.00 74.21 C ATOM 379 O GLU A 23 -12.064 -7.193 -10.090 1.00 23.35 O ATOM 380 CB GLU A 23 -11.563 -7.280 -6.634 1.00 71.22 C ATOM 381 CG GLU A 23 -11.010 -8.309 -5.637 1.00 35.11 C ATOM 382 CD GLU A 23 -11.401 -9.747 -6.009 1.00 41.32 C ATOM 383 OE1 GLU A 23 -12.603 -10.070 -5.928 1.00 31.01 O ATOM 384 OE2 GLU A 23 -10.531 -10.557 -6.383 1.00 42.04 O ATOM 0 H GLU A 23 -9.319 -6.360 -6.905 1.00 21.42 H new ATOM 0 HA GLU A 23 -10.669 -8.294 -8.342 1.00 44.10 H new ATOM 0 HB2 GLU A 23 -11.487 -6.287 -6.192 1.00 71.22 H new ATOM 0 HB3 GLU A 23 -12.623 -7.478 -6.792 1.00 71.22 H new ATOM 0 HG2 GLU A 23 -9.924 -8.228 -5.599 1.00 35.11 H new ATOM 0 HG3 GLU A 23 -11.382 -8.080 -4.638 1.00 35.11 H new ATOM 391 N LEU A 24 -12.020 -5.295 -8.824 1.00 21.41 N ATOM 392 CA LEU A 24 -12.922 -4.487 -9.655 1.00 13.20 C ATOM 393 C LEU A 24 -12.428 -4.414 -11.111 1.00 55.40 C ATOM 394 O LEU A 24 -13.196 -4.668 -12.025 1.00 1.42 O ATOM 395 CB LEU A 24 -13.070 -3.065 -9.044 1.00 2.35 C ATOM 396 CG LEU A 24 -13.762 -2.994 -7.647 1.00 35.02 C ATOM 397 CD1 LEU A 24 -13.673 -1.575 -7.043 1.00 41.35 C ATOM 398 CD2 LEU A 24 -15.223 -3.496 -7.722 1.00 3.53 C ATOM 0 H LEU A 24 -11.628 -4.780 -8.036 1.00 21.41 H new ATOM 0 HA LEU A 24 -13.901 -4.967 -9.670 1.00 13.20 H new ATOM 0 HB2 LEU A 24 -12.078 -2.621 -8.960 1.00 2.35 H new ATOM 0 HB3 LEU A 24 -13.637 -2.448 -9.741 1.00 2.35 H new ATOM 0 HG LEU A 24 -13.222 -3.661 -6.975 1.00 35.02 H new ATOM 0 HD11 LEU A 24 -14.165 -1.562 -6.070 1.00 41.35 H new ATOM 0 HD12 LEU A 24 -12.626 -1.295 -6.924 1.00 41.35 H new ATOM 0 HD13 LEU A 24 -14.165 -0.865 -7.708 1.00 41.35 H new ATOM 0 HD21 LEU A 24 -15.680 -3.435 -6.734 1.00 3.53 H new ATOM 0 HD22 LEU A 24 -15.785 -2.876 -8.421 1.00 3.53 H new ATOM 0 HD23 LEU A 24 -15.235 -4.531 -8.064 1.00 3.53 H new ATOM 410 N ALA A 25 -11.123 -4.144 -11.291 1.00 22.44 N ATOM 411 CA ALA A 25 -10.498 -3.995 -12.624 1.00 50.21 C ATOM 412 C ALA A 25 -10.635 -5.268 -13.470 1.00 54.21 C ATOM 413 O ALA A 25 -11.004 -5.196 -14.645 1.00 52.42 O ATOM 414 CB ALA A 25 -9.023 -3.633 -12.483 1.00 73.12 C ATOM 0 H ALA A 25 -10.469 -4.022 -10.518 1.00 22.44 H new ATOM 0 HA ALA A 25 -11.026 -3.191 -13.137 1.00 50.21 H new ATOM 0 HB1 ALA A 25 -8.578 -3.527 -13.472 1.00 73.12 H new ATOM 0 HB2 ALA A 25 -8.929 -2.692 -11.941 1.00 73.12 H new ATOM 0 HB3 ALA A 25 -8.506 -4.421 -11.935 1.00 73.12 H new ATOM 420 N GLN A 26 -10.362 -6.434 -12.841 1.00 3.21 N ATOM 421 CA GLN A 26 -10.483 -7.758 -13.498 1.00 30.32 C ATOM 422 C GLN A 26 -11.951 -8.088 -13.823 1.00 25.24 C ATOM 423 O GLN A 26 -12.237 -8.769 -14.805 1.00 1.03 O ATOM 424 CB GLN A 26 -9.884 -8.862 -12.595 1.00 5.32 C ATOM 425 CG GLN A 26 -8.371 -8.704 -12.325 1.00 73.10 C ATOM 426 CD GLN A 26 -7.838 -9.696 -11.295 1.00 55.41 C ATOM 427 OE1 GLN A 26 -8.562 -10.125 -10.399 1.00 42.42 O ATOM 428 NE2 GLN A 26 -6.570 -10.053 -11.401 1.00 43.43 N ATOM 0 H GLN A 26 -10.054 -6.485 -11.870 1.00 3.21 H new ATOM 0 HA GLN A 26 -9.926 -7.718 -14.434 1.00 30.32 H new ATOM 0 HB2 GLN A 26 -10.414 -8.864 -11.642 1.00 5.32 H new ATOM 0 HB3 GLN A 26 -10.060 -9.832 -13.060 1.00 5.32 H new ATOM 0 HG2 GLN A 26 -7.826 -8.833 -13.260 1.00 73.10 H new ATOM 0 HG3 GLN A 26 -8.174 -7.689 -11.979 1.00 73.10 H new ATOM 0 HE21 GLN A 26 -5.996 -9.679 -12.157 1.00 43.43 H new ATOM 0 HE22 GLN A 26 -6.165 -10.703 -10.727 1.00 43.43 H new ATOM 437 N ARG A 27 -12.866 -7.597 -12.971 1.00 63.25 N ATOM 438 CA ARG A 27 -14.325 -7.751 -13.159 1.00 53.54 C ATOM 439 C ARG A 27 -14.888 -6.658 -14.103 1.00 32.13 C ATOM 440 O ARG A 27 -16.083 -6.648 -14.398 1.00 52.30 O ATOM 441 CB ARG A 27 -15.016 -7.738 -11.764 1.00 54.41 C ATOM 442 CG ARG A 27 -14.534 -8.890 -10.838 1.00 72.00 C ATOM 443 CD ARG A 27 -15.102 -8.826 -9.404 1.00 31.43 C ATOM 444 NE ARG A 27 -14.459 -9.819 -8.512 1.00 50.15 N ATOM 445 CZ ARG A 27 -14.847 -11.096 -8.346 1.00 52.23 C ATOM 446 NH1 ARG A 27 -15.896 -11.590 -8.999 1.00 13.33 N ATOM 447 NH2 ARG A 27 -14.166 -11.877 -7.521 1.00 72.51 N ATOM 0 H ARG A 27 -12.617 -7.079 -12.128 1.00 63.25 H new ATOM 0 HA ARG A 27 -14.534 -8.705 -13.642 1.00 53.54 H new ATOM 0 HB2 ARG A 27 -14.822 -6.782 -11.277 1.00 54.41 H new ATOM 0 HB3 ARG A 27 -16.095 -7.814 -11.898 1.00 54.41 H new ATOM 0 HG2 ARG A 27 -14.814 -9.843 -11.286 1.00 72.00 H new ATOM 0 HG3 ARG A 27 -13.445 -8.870 -10.787 1.00 72.00 H new ATOM 0 HD2 ARG A 27 -14.955 -7.825 -8.999 1.00 31.43 H new ATOM 0 HD3 ARG A 27 -16.177 -9.004 -9.431 1.00 31.43 H new ATOM 0 HE ARG A 27 -13.650 -9.506 -7.976 1.00 50.15 H new ATOM 0 HH11 ARG A 27 -16.423 -10.997 -9.640 1.00 13.33 H new ATOM 0 HH12 ARG A 27 -16.173 -12.562 -8.858 1.00 13.33 H new ATOM 0 HH21 ARG A 27 -13.358 -11.508 -7.020 1.00 72.51 H new ATOM 0 HH22 ARG A 27 -14.450 -12.847 -7.386 1.00 72.51 H new ATOM 461 N GLY A 28 -14.001 -5.737 -14.555 1.00 0.34 N ATOM 462 CA GLY A 28 -14.321 -4.748 -15.598 1.00 54.12 C ATOM 463 C GLY A 28 -14.823 -3.415 -15.061 1.00 3.22 C ATOM 464 O GLY A 28 -15.182 -2.531 -15.835 1.00 71.02 O ATOM 0 H GLY A 28 -13.046 -5.664 -14.203 1.00 0.34 H new ATOM 0 HA2 GLY A 28 -13.430 -4.572 -16.201 1.00 54.12 H new ATOM 0 HA3 GLY A 28 -15.077 -5.168 -16.261 1.00 54.12 H new ATOM 468 N GLU A 29 -14.866 -3.287 -13.735 1.00 10.44 N ATOM 469 CA GLU A 29 -15.324 -2.079 -13.039 1.00 44.31 C ATOM 470 C GLU A 29 -14.192 -1.030 -12.915 1.00 1.24 C ATOM 471 O GLU A 29 -13.703 -0.750 -11.815 1.00 1.10 O ATOM 472 CB GLU A 29 -15.875 -2.471 -11.643 1.00 75.35 C ATOM 473 CG GLU A 29 -17.011 -3.515 -11.662 1.00 5.54 C ATOM 474 CD GLU A 29 -18.218 -3.075 -12.511 1.00 33.35 C ATOM 475 OE1 GLU A 29 -18.799 -2.002 -12.228 1.00 51.02 O ATOM 476 OE2 GLU A 29 -18.594 -3.794 -13.463 1.00 3.53 O ATOM 0 H GLU A 29 -14.579 -4.032 -13.100 1.00 10.44 H new ATOM 0 HA GLU A 29 -16.120 -1.618 -13.624 1.00 44.31 H new ATOM 0 HB2 GLU A 29 -15.054 -2.860 -11.041 1.00 75.35 H new ATOM 0 HB3 GLU A 29 -16.237 -1.571 -11.146 1.00 75.35 H new ATOM 0 HG2 GLU A 29 -16.625 -4.457 -12.051 1.00 5.54 H new ATOM 0 HG3 GLU A 29 -17.341 -3.703 -10.640 1.00 5.54 H new ATOM 483 N TRP A 30 -13.819 -0.435 -14.062 1.00 32.54 N ATOM 484 CA TRP A 30 -12.708 0.541 -14.166 1.00 53.32 C ATOM 485 C TRP A 30 -13.058 1.872 -13.484 1.00 1.54 C ATOM 486 O TRP A 30 -12.208 2.499 -12.837 1.00 53.43 O ATOM 487 CB TRP A 30 -12.368 0.828 -15.654 1.00 2.33 C ATOM 488 CG TRP A 30 -12.135 -0.405 -16.494 1.00 22.31 C ATOM 489 CD1 TRP A 30 -12.962 -0.917 -17.458 1.00 14.21 C ATOM 490 CD2 TRP A 30 -11.000 -1.282 -16.441 1.00 55.10 C ATOM 491 NE1 TRP A 30 -12.414 -2.046 -17.999 1.00 72.33 N ATOM 492 CE2 TRP A 30 -11.212 -2.288 -17.397 1.00 3.13 C ATOM 493 CE3 TRP A 30 -9.828 -1.313 -15.679 1.00 35.41 C ATOM 494 CZ2 TRP A 30 -10.303 -3.311 -17.614 1.00 34.32 C ATOM 495 CZ3 TRP A 30 -8.921 -2.330 -15.900 1.00 31.55 C ATOM 496 CH2 TRP A 30 -9.166 -3.316 -16.861 1.00 32.43 C ATOM 0 H TRP A 30 -14.281 -0.616 -14.953 1.00 32.54 H new ATOM 0 HA TRP A 30 -11.849 0.096 -13.663 1.00 53.32 H new ATOM 0 HB2 TRP A 30 -13.182 1.403 -16.095 1.00 2.33 H new ATOM 0 HB3 TRP A 30 -11.476 1.454 -15.695 1.00 2.33 H new ATOM 0 HD1 TRP A 30 -13.910 -0.490 -17.749 1.00 14.21 H new ATOM 0 HE1 TRP A 30 -12.834 -2.616 -18.733 1.00 72.33 H new ATOM 0 HE3 TRP A 30 -9.636 -0.556 -14.933 1.00 35.41 H new ATOM 0 HZ2 TRP A 30 -10.488 -4.077 -18.353 1.00 34.32 H new ATOM 0 HZ3 TRP A 30 -8.009 -2.365 -15.322 1.00 31.55 H new ATOM 0 HH2 TRP A 30 -8.438 -4.100 -17.010 1.00 32.43 H new ATOM 507 N ASP A 31 -14.325 2.294 -13.652 1.00 14.14 N ATOM 508 CA ASP A 31 -14.824 3.575 -13.112 1.00 3.51 C ATOM 509 C ASP A 31 -14.740 3.596 -11.582 1.00 51.34 C ATOM 510 O ASP A 31 -14.495 4.640 -10.992 1.00 30.31 O ATOM 511 CB ASP A 31 -16.279 3.848 -13.567 1.00 12.41 C ATOM 512 CG ASP A 31 -16.389 4.138 -15.070 1.00 74.02 C ATOM 513 OD1 ASP A 31 -16.098 5.278 -15.485 1.00 42.35 O ATOM 514 OD2 ASP A 31 -16.751 3.230 -15.847 1.00 74.53 O ATOM 0 H ASP A 31 -15.029 1.761 -14.163 1.00 14.14 H new ATOM 0 HA ASP A 31 -14.186 4.365 -13.508 1.00 3.51 H new ATOM 0 HB2 ASP A 31 -16.899 2.986 -13.322 1.00 12.41 H new ATOM 0 HB3 ASP A 31 -16.676 4.695 -13.008 1.00 12.41 H new ATOM 519 N LEU A 32 -14.902 2.419 -10.957 1.00 24.21 N ATOM 520 CA LEU A 32 -14.819 2.281 -9.497 1.00 35.14 C ATOM 521 C LEU A 32 -13.368 2.460 -9.006 1.00 23.54 C ATOM 522 O LEU A 32 -13.159 2.922 -7.893 1.00 64.13 O ATOM 523 CB LEU A 32 -15.435 0.935 -9.042 1.00 12.44 C ATOM 524 CG LEU A 32 -16.923 0.692 -9.471 1.00 2.13 C ATOM 525 CD1 LEU A 32 -17.467 -0.623 -8.878 1.00 1.40 C ATOM 526 CD2 LEU A 32 -17.835 1.890 -9.111 1.00 43.42 C ATOM 0 H LEU A 32 -15.093 1.544 -11.446 1.00 24.21 H new ATOM 0 HA LEU A 32 -15.406 3.076 -9.037 1.00 35.14 H new ATOM 0 HB2 LEU A 32 -14.824 0.124 -9.439 1.00 12.44 H new ATOM 0 HB3 LEU A 32 -15.375 0.877 -7.955 1.00 12.44 H new ATOM 0 HG LEU A 32 -16.932 0.599 -10.557 1.00 2.13 H new ATOM 0 HD11 LEU A 32 -18.501 -0.764 -9.193 1.00 1.40 H new ATOM 0 HD12 LEU A 32 -16.863 -1.459 -9.231 1.00 1.40 H new ATOM 0 HD13 LEU A 32 -17.422 -0.577 -7.790 1.00 1.40 H new ATOM 0 HD21 LEU A 32 -18.856 1.677 -9.427 1.00 43.42 H new ATOM 0 HD22 LEU A 32 -17.815 2.052 -8.033 1.00 43.42 H new ATOM 0 HD23 LEU A 32 -17.477 2.785 -9.619 1.00 43.42 H new ATOM 538 N LEU A 33 -12.373 2.131 -9.866 1.00 70.55 N ATOM 539 CA LEU A 33 -10.940 2.461 -9.609 1.00 13.24 C ATOM 540 C LEU A 33 -10.738 3.980 -9.653 1.00 42.32 C ATOM 541 O LEU A 33 -10.110 4.559 -8.757 1.00 4.24 O ATOM 542 CB LEU A 33 -9.966 1.789 -10.636 1.00 62.32 C ATOM 543 CG LEU A 33 -9.637 0.280 -10.420 1.00 24.20 C ATOM 544 CD1 LEU A 33 -10.863 -0.616 -10.623 1.00 70.15 C ATOM 545 CD2 LEU A 33 -8.458 -0.162 -11.314 1.00 11.52 C ATOM 0 H LEU A 33 -12.532 1.638 -10.745 1.00 70.55 H new ATOM 0 HA LEU A 33 -10.702 2.068 -8.621 1.00 13.24 H new ATOM 0 HB2 LEU A 33 -10.394 1.903 -11.632 1.00 62.32 H new ATOM 0 HB3 LEU A 33 -9.028 2.345 -10.626 1.00 62.32 H new ATOM 0 HG LEU A 33 -9.334 0.162 -9.380 1.00 24.20 H new ATOM 0 HD11 LEU A 33 -10.583 -1.657 -10.462 1.00 70.15 H new ATOM 0 HD12 LEU A 33 -11.641 -0.335 -9.913 1.00 70.15 H new ATOM 0 HD13 LEU A 33 -11.238 -0.494 -11.639 1.00 70.15 H new ATOM 0 HD21 LEU A 33 -8.249 -1.218 -11.144 1.00 11.52 H new ATOM 0 HD22 LEU A 33 -8.718 -0.007 -12.361 1.00 11.52 H new ATOM 0 HD23 LEU A 33 -7.574 0.427 -11.068 1.00 11.52 H new ATOM 557 N LEU A 34 -11.295 4.600 -10.712 1.00 2.31 N ATOM 558 CA LEU A 34 -11.192 6.058 -10.953 1.00 40.22 C ATOM 559 C LEU A 34 -11.844 6.873 -9.812 1.00 44.34 C ATOM 560 O LEU A 34 -11.376 7.960 -9.471 1.00 50.02 O ATOM 561 CB LEU A 34 -11.842 6.414 -12.314 1.00 52.12 C ATOM 562 CG LEU A 34 -11.265 5.658 -13.557 1.00 24.52 C ATOM 563 CD1 LEU A 34 -12.023 6.032 -14.848 1.00 13.22 C ATOM 564 CD2 LEU A 34 -9.742 5.889 -13.708 1.00 55.22 C ATOM 0 H LEU A 34 -11.830 4.106 -11.426 1.00 2.31 H new ATOM 0 HA LEU A 34 -10.135 6.322 -10.979 1.00 40.22 H new ATOM 0 HB2 LEU A 34 -12.911 6.209 -12.251 1.00 52.12 H new ATOM 0 HB3 LEU A 34 -11.732 7.486 -12.480 1.00 52.12 H new ATOM 0 HG LEU A 34 -11.416 4.592 -13.386 1.00 24.52 H new ATOM 0 HD11 LEU A 34 -11.596 5.489 -15.691 1.00 13.22 H new ATOM 0 HD12 LEU A 34 -13.075 5.768 -14.742 1.00 13.22 H new ATOM 0 HD13 LEU A 34 -11.934 7.104 -15.025 1.00 13.22 H new ATOM 0 HD21 LEU A 34 -9.377 5.349 -14.581 1.00 55.22 H new ATOM 0 HD22 LEU A 34 -9.546 6.954 -13.832 1.00 55.22 H new ATOM 0 HD23 LEU A 34 -9.229 5.527 -12.817 1.00 55.22 H new ATOM 576 N GLN A 35 -12.923 6.318 -9.228 1.00 62.43 N ATOM 577 CA GLN A 35 -13.615 6.902 -8.061 1.00 21.43 C ATOM 578 C GLN A 35 -12.732 6.761 -6.817 1.00 51.41 C ATOM 579 O GLN A 35 -12.378 7.767 -6.194 1.00 10.23 O ATOM 580 CB GLN A 35 -15.016 6.221 -7.856 1.00 34.43 C ATOM 581 CG GLN A 35 -16.247 6.974 -8.447 1.00 2.54 C ATOM 582 CD GLN A 35 -16.376 7.000 -9.988 1.00 31.21 C ATOM 583 OE1 GLN A 35 -15.300 7.233 -10.727 1.00 42.30 O flip ATOM 584 NE2 GLN A 35 -17.487 6.912 -10.513 1.00 44.52 N flip ATOM 0 H GLN A 35 -13.342 5.447 -9.554 1.00 62.43 H new ATOM 0 HA GLN A 35 -13.791 7.963 -8.237 1.00 21.43 H new ATOM 0 HB2 GLN A 35 -14.980 5.226 -8.299 1.00 34.43 H new ATOM 0 HB3 GLN A 35 -15.178 6.089 -6.786 1.00 34.43 H new ATOM 0 HG2 GLN A 35 -17.150 6.521 -8.038 1.00 2.54 H new ATOM 0 HG3 GLN A 35 -16.218 8.004 -8.091 1.00 2.54 H new ATOM 0 HE21 GLN A 35 -18.310 6.733 -9.938 1.00 44.52 H new ATOM 0 HE22 GLN A 35 -17.584 7.019 -11.523 1.00 44.52 H new ATOM 593 N GLN A 36 -12.331 5.505 -6.511 1.00 44.41 N ATOM 594 CA GLN A 36 -11.531 5.173 -5.309 1.00 44.12 C ATOM 595 C GLN A 36 -10.123 5.777 -5.349 1.00 43.01 C ATOM 596 O GLN A 36 -9.428 5.738 -4.340 1.00 24.32 O ATOM 597 CB GLN A 36 -11.451 3.646 -5.079 1.00 61.23 C ATOM 598 CG GLN A 36 -12.812 2.981 -4.809 1.00 42.12 C ATOM 599 CD GLN A 36 -13.526 3.501 -3.555 1.00 42.45 C ATOM 600 OE1 GLN A 36 -12.898 3.854 -2.554 1.00 30.15 O ATOM 601 NE2 GLN A 36 -14.842 3.573 -3.613 1.00 11.32 N ATOM 0 H GLN A 36 -12.553 4.695 -7.089 1.00 44.41 H new ATOM 0 HA GLN A 36 -12.057 5.624 -4.468 1.00 44.12 H new ATOM 0 HB2 GLN A 36 -10.998 3.180 -5.954 1.00 61.23 H new ATOM 0 HB3 GLN A 36 -10.789 3.450 -4.235 1.00 61.23 H new ATOM 0 HG2 GLN A 36 -13.458 3.137 -5.673 1.00 42.12 H new ATOM 0 HG3 GLN A 36 -12.665 1.905 -4.711 1.00 42.12 H new ATOM 0 HE21 GLN A 36 -15.333 3.273 -4.456 1.00 11.32 H new ATOM 0 HE22 GLN A 36 -15.369 3.929 -2.815 1.00 11.32 H new ATOM 610 N GLU A 37 -9.709 6.280 -6.536 1.00 32.11 N ATOM 611 CA GLU A 37 -8.454 7.029 -6.719 1.00 45.02 C ATOM 612 C GLU A 37 -8.284 8.126 -5.647 1.00 63.22 C ATOM 613 O GLU A 37 -7.207 8.272 -5.113 1.00 61.02 O ATOM 614 CB GLU A 37 -8.385 7.653 -8.135 1.00 73.12 C ATOM 615 CG GLU A 37 -7.088 8.445 -8.424 1.00 61.11 C ATOM 616 CD GLU A 37 -7.081 9.094 -9.812 1.00 51.01 C ATOM 617 OE1 GLU A 37 -7.675 10.183 -9.968 1.00 41.22 O ATOM 618 OE2 GLU A 37 -6.503 8.517 -10.755 1.00 1.02 O ATOM 0 H GLU A 37 -10.245 6.174 -7.397 1.00 32.11 H new ATOM 0 HA GLU A 37 -7.635 6.318 -6.607 1.00 45.02 H new ATOM 0 HB2 GLU A 37 -8.482 6.858 -8.874 1.00 73.12 H new ATOM 0 HB3 GLU A 37 -9.239 8.318 -8.268 1.00 73.12 H new ATOM 0 HG2 GLU A 37 -6.965 9.219 -7.666 1.00 61.11 H new ATOM 0 HG3 GLU A 37 -6.233 7.775 -8.338 1.00 61.11 H new ATOM 625 N VAL A 38 -9.383 8.833 -5.301 1.00 21.22 N ATOM 626 CA VAL A 38 -9.368 9.902 -4.264 1.00 50.13 C ATOM 627 C VAL A 38 -8.882 9.344 -2.899 1.00 61.32 C ATOM 628 O VAL A 38 -7.966 9.901 -2.267 1.00 21.33 O ATOM 629 CB VAL A 38 -10.795 10.555 -4.088 1.00 64.42 C ATOM 630 CG1 VAL A 38 -10.757 11.735 -3.085 1.00 24.14 C ATOM 631 CG2 VAL A 38 -11.384 10.999 -5.450 1.00 24.31 C ATOM 0 H VAL A 38 -10.299 8.685 -5.725 1.00 21.22 H new ATOM 0 HA VAL A 38 -8.673 10.670 -4.604 1.00 50.13 H new ATOM 0 HB VAL A 38 -11.454 9.791 -3.675 1.00 64.42 H new ATOM 0 HG11 VAL A 38 -11.755 12.162 -2.987 1.00 24.14 H new ATOM 0 HG12 VAL A 38 -10.419 11.376 -2.113 1.00 24.14 H new ATOM 0 HG13 VAL A 38 -10.070 12.499 -3.448 1.00 24.14 H new ATOM 0 HG21 VAL A 38 -12.367 11.444 -5.294 1.00 24.31 H new ATOM 0 HG22 VAL A 38 -10.722 11.732 -5.911 1.00 24.31 H new ATOM 0 HG23 VAL A 38 -11.478 10.133 -6.105 1.00 24.31 H new ATOM 641 N SER A 39 -9.483 8.205 -2.499 1.00 5.41 N ATOM 642 CA SER A 39 -9.144 7.498 -1.250 1.00 62.45 C ATOM 643 C SER A 39 -7.712 6.930 -1.303 1.00 43.41 C ATOM 644 O SER A 39 -6.976 6.989 -0.311 1.00 24.33 O ATOM 645 CB SER A 39 -10.162 6.366 -1.019 1.00 22.23 C ATOM 646 OG SER A 39 -11.483 6.872 -1.026 1.00 11.33 O ATOM 0 H SER A 39 -10.220 7.749 -3.037 1.00 5.41 H new ATOM 0 HA SER A 39 -9.187 8.205 -0.422 1.00 62.45 H new ATOM 0 HB2 SER A 39 -10.053 5.609 -1.795 1.00 22.23 H new ATOM 0 HB3 SER A 39 -9.960 5.877 -0.066 1.00 22.23 H new ATOM 0 HG SER A 39 -12.115 6.138 -0.879 1.00 11.33 H new ATOM 652 N TYR A 40 -7.346 6.417 -2.499 1.00 35.32 N ATOM 653 CA TYR A 40 -6.025 5.844 -2.800 1.00 13.44 C ATOM 654 C TYR A 40 -4.945 6.895 -2.520 1.00 54.34 C ATOM 655 O TYR A 40 -4.021 6.633 -1.741 1.00 44.43 O ATOM 656 CB TYR A 40 -5.991 5.381 -4.293 1.00 32.40 C ATOM 657 CG TYR A 40 -4.679 4.744 -4.800 1.00 60.34 C ATOM 658 CD1 TYR A 40 -4.531 3.355 -4.870 1.00 20.31 C ATOM 659 CD2 TYR A 40 -3.603 5.530 -5.247 1.00 33.15 C ATOM 660 CE1 TYR A 40 -3.375 2.781 -5.361 1.00 63.21 C ATOM 661 CE2 TYR A 40 -2.440 4.953 -5.730 1.00 4.43 C ATOM 662 CZ TYR A 40 -2.337 3.580 -5.786 1.00 23.12 C ATOM 663 OH TYR A 40 -1.195 2.997 -6.290 1.00 72.10 O ATOM 0 H TYR A 40 -7.980 6.392 -3.298 1.00 35.32 H new ATOM 0 HA TYR A 40 -5.834 4.977 -2.168 1.00 13.44 H new ATOM 0 HB2 TYR A 40 -6.797 4.662 -4.443 1.00 32.40 H new ATOM 0 HB3 TYR A 40 -6.213 6.244 -4.920 1.00 32.40 H new ATOM 0 HD1 TYR A 40 -5.336 2.719 -4.534 1.00 20.31 H new ATOM 0 HD2 TYR A 40 -3.685 6.606 -5.213 1.00 33.15 H new ATOM 0 HE1 TYR A 40 -3.285 1.706 -5.412 1.00 63.21 H new ATOM 0 HE2 TYR A 40 -1.621 5.574 -6.060 1.00 4.43 H new ATOM 0 HH TYR A 40 -1.184 2.045 -6.057 1.00 72.10 H new ATOM 673 N LEU A 41 -5.138 8.106 -3.116 1.00 43.42 N ATOM 674 CA LEU A 41 -4.203 9.234 -2.996 1.00 45.41 C ATOM 675 C LEU A 41 -4.048 9.617 -1.528 1.00 71.14 C ATOM 676 O LEU A 41 -2.956 9.526 -0.994 1.00 62.03 O ATOM 677 CB LEU A 41 -4.650 10.503 -3.794 1.00 12.44 C ATOM 678 CG LEU A 41 -4.997 10.336 -5.306 1.00 73.31 C ATOM 679 CD1 LEU A 41 -5.116 11.704 -6.010 1.00 1.11 C ATOM 680 CD2 LEU A 41 -4.019 9.397 -6.033 1.00 32.04 C ATOM 0 H LEU A 41 -5.953 8.315 -3.692 1.00 43.42 H new ATOM 0 HA LEU A 41 -3.259 8.894 -3.423 1.00 45.41 H new ATOM 0 HB2 LEU A 41 -5.525 10.919 -3.295 1.00 12.44 H new ATOM 0 HB3 LEU A 41 -3.855 11.244 -3.714 1.00 12.44 H new ATOM 0 HG LEU A 41 -5.975 9.856 -5.356 1.00 73.31 H new ATOM 0 HD11 LEU A 41 -5.358 11.552 -7.062 1.00 1.11 H new ATOM 0 HD12 LEU A 41 -5.904 12.289 -5.537 1.00 1.11 H new ATOM 0 HD13 LEU A 41 -4.169 12.238 -5.929 1.00 1.11 H new ATOM 0 HD21 LEU A 41 -4.305 9.315 -7.082 1.00 32.04 H new ATOM 0 HD22 LEU A 41 -3.008 9.799 -5.963 1.00 32.04 H new ATOM 0 HD23 LEU A 41 -4.050 8.411 -5.570 1.00 32.04 H new ATOM 692 N GLN A 42 -5.182 9.967 -0.877 1.00 43.33 N ATOM 693 CA GLN A 42 -5.190 10.484 0.505 1.00 45.11 C ATOM 694 C GLN A 42 -4.417 9.556 1.468 1.00 70.52 C ATOM 695 O GLN A 42 -3.512 10.007 2.176 1.00 31.54 O ATOM 696 CB GLN A 42 -6.642 10.688 1.022 1.00 64.25 C ATOM 697 CG GLN A 42 -6.711 11.351 2.420 1.00 15.22 C ATOM 698 CD GLN A 42 -8.118 11.432 3.015 1.00 33.22 C ATOM 699 OE1 GLN A 42 -9.116 11.537 2.305 1.00 10.02 O ATOM 700 NE2 GLN A 42 -8.209 11.375 4.334 1.00 2.24 N ATOM 0 H GLN A 42 -6.110 9.898 -1.295 1.00 43.33 H new ATOM 0 HA GLN A 42 -4.686 11.450 0.482 1.00 45.11 H new ATOM 0 HB2 GLN A 42 -7.190 11.304 0.309 1.00 64.25 H new ATOM 0 HB3 GLN A 42 -7.145 9.722 1.061 1.00 64.25 H new ATOM 0 HG2 GLN A 42 -6.072 10.793 3.105 1.00 15.22 H new ATOM 0 HG3 GLN A 42 -6.301 12.359 2.351 1.00 15.22 H new ATOM 0 HE21 GLN A 42 -7.365 11.288 4.900 1.00 2.24 H new ATOM 0 HE22 GLN A 42 -9.123 11.418 4.784 1.00 2.24 H new ATOM 709 N SER A 43 -4.735 8.252 1.411 1.00 4.21 N ATOM 710 CA SER A 43 -4.131 7.239 2.296 1.00 73.01 C ATOM 711 C SER A 43 -2.611 7.084 2.042 1.00 24.21 C ATOM 712 O SER A 43 -1.799 7.254 2.970 1.00 60.33 O ATOM 713 CB SER A 43 -4.854 5.891 2.109 1.00 20.22 C ATOM 714 OG SER A 43 -6.246 6.030 2.350 1.00 42.23 O ATOM 0 H SER A 43 -5.415 7.870 0.753 1.00 4.21 H new ATOM 0 HA SER A 43 -4.250 7.574 3.326 1.00 73.01 H new ATOM 0 HB2 SER A 43 -4.690 5.522 1.096 1.00 20.22 H new ATOM 0 HB3 SER A 43 -4.434 5.150 2.790 1.00 20.22 H new ATOM 0 HG SER A 43 -6.687 6.358 1.539 1.00 42.23 H new ATOM 720 N ILE A 44 -2.241 6.822 0.768 1.00 64.31 N ATOM 721 CA ILE A 44 -0.848 6.504 0.378 1.00 64.22 C ATOM 722 C ILE A 44 0.089 7.714 0.609 1.00 33.51 C ATOM 723 O ILE A 44 1.237 7.549 1.041 1.00 22.41 O ATOM 724 CB ILE A 44 -0.776 5.980 -1.118 1.00 64.14 C ATOM 725 CG1 ILE A 44 0.570 5.248 -1.416 1.00 51.14 C ATOM 726 CG2 ILE A 44 -1.008 7.111 -2.144 1.00 34.24 C ATOM 727 CD1 ILE A 44 0.640 4.601 -2.798 1.00 34.33 C ATOM 0 H ILE A 44 -2.895 6.825 -0.015 1.00 64.31 H new ATOM 0 HA ILE A 44 -0.497 5.697 1.021 1.00 64.22 H new ATOM 0 HB ILE A 44 -1.586 5.259 -1.224 1.00 64.14 H new ATOM 0 HG12 ILE A 44 1.388 5.962 -1.320 1.00 51.14 H new ATOM 0 HG13 ILE A 44 0.728 4.479 -0.659 1.00 51.14 H new ATOM 0 HG21 ILE A 44 -0.949 6.704 -3.154 1.00 34.24 H new ATOM 0 HG22 ILE A 44 -1.994 7.549 -1.986 1.00 34.24 H new ATOM 0 HG23 ILE A 44 -0.245 7.879 -2.018 1.00 34.24 H new ATOM 0 HD11 ILE A 44 1.607 4.115 -2.923 1.00 34.33 H new ATOM 0 HD12 ILE A 44 -0.154 3.860 -2.894 1.00 34.33 H new ATOM 0 HD13 ILE A 44 0.517 5.366 -3.565 1.00 34.33 H new ATOM 739 N GLU A 45 -0.447 8.926 0.364 1.00 15.34 N ATOM 740 CA GLU A 45 0.246 10.193 0.627 1.00 11.04 C ATOM 741 C GLU A 45 0.487 10.357 2.127 1.00 43.31 C ATOM 742 O GLU A 45 1.599 10.656 2.536 1.00 43.04 O ATOM 743 CB GLU A 45 -0.583 11.392 0.085 1.00 22.34 C ATOM 744 CG GLU A 45 -0.673 11.477 -1.454 1.00 12.32 C ATOM 745 CD GLU A 45 0.636 11.907 -2.130 1.00 60.14 C ATOM 746 OE1 GLU A 45 0.818 13.123 -2.337 1.00 4.33 O ATOM 747 OE2 GLU A 45 1.483 11.049 -2.446 1.00 73.22 O ATOM 0 H GLU A 45 -1.382 9.049 -0.025 1.00 15.34 H new ATOM 0 HA GLU A 45 1.207 10.176 0.112 1.00 11.04 H new ATOM 0 HB2 GLU A 45 -1.593 11.330 0.491 1.00 22.34 H new ATOM 0 HB3 GLU A 45 -0.145 12.317 0.460 1.00 22.34 H new ATOM 0 HG2 GLU A 45 -0.970 10.504 -1.845 1.00 12.32 H new ATOM 0 HG3 GLU A 45 -1.459 12.182 -1.724 1.00 12.32 H new ATOM 754 N THR A 46 -0.564 10.114 2.939 1.00 44.52 N ATOM 755 CA THR A 46 -0.485 10.246 4.408 1.00 64.34 C ATOM 756 C THR A 46 0.528 9.249 5.015 1.00 5.52 C ATOM 757 O THR A 46 1.094 9.510 6.067 1.00 41.42 O ATOM 758 CB THR A 46 -1.899 10.098 5.076 1.00 10.00 C ATOM 759 OG1 THR A 46 -2.780 11.096 4.537 1.00 35.02 O ATOM 760 CG2 THR A 46 -1.866 10.266 6.611 1.00 1.11 C ATOM 0 H THR A 46 -1.481 9.824 2.599 1.00 44.52 H new ATOM 0 HA THR A 46 -0.123 11.252 4.622 1.00 64.34 H new ATOM 0 HB THR A 46 -2.246 9.088 4.859 1.00 10.00 H new ATOM 0 HG1 THR A 46 -3.149 10.781 3.685 1.00 35.02 H new ATOM 0 HG21 THR A 46 -2.874 10.153 7.011 1.00 1.11 H new ATOM 0 HG22 THR A 46 -1.215 9.508 7.046 1.00 1.11 H new ATOM 0 HG23 THR A 46 -1.486 11.257 6.861 1.00 1.11 H new ATOM 768 N VAL A 47 0.770 8.118 4.335 1.00 12.32 N ATOM 769 CA VAL A 47 1.832 7.174 4.746 1.00 31.43 C ATOM 770 C VAL A 47 3.231 7.739 4.413 1.00 4.24 C ATOM 771 O VAL A 47 4.083 7.860 5.301 1.00 60.34 O ATOM 772 CB VAL A 47 1.654 5.766 4.078 1.00 72.50 C ATOM 773 CG1 VAL A 47 2.773 4.790 4.517 1.00 65.44 C ATOM 774 CG2 VAL A 47 0.262 5.193 4.398 1.00 31.42 C ATOM 0 H VAL A 47 0.252 7.832 3.504 1.00 12.32 H new ATOM 0 HA VAL A 47 1.745 7.049 5.825 1.00 31.43 H new ATOM 0 HB VAL A 47 1.734 5.890 2.998 1.00 72.50 H new ATOM 0 HG11 VAL A 47 2.621 3.823 4.037 1.00 65.44 H new ATOM 0 HG12 VAL A 47 3.743 5.193 4.224 1.00 65.44 H new ATOM 0 HG13 VAL A 47 2.744 4.666 5.600 1.00 65.44 H new ATOM 0 HG21 VAL A 47 0.154 4.216 3.927 1.00 31.42 H new ATOM 0 HG22 VAL A 47 0.150 5.090 5.477 1.00 31.42 H new ATOM 0 HG23 VAL A 47 -0.505 5.866 4.016 1.00 31.42 H new ATOM 784 N MET A 48 3.434 8.116 3.133 1.00 4.05 N ATOM 785 CA MET A 48 4.768 8.502 2.602 1.00 62.31 C ATOM 786 C MET A 48 5.231 9.878 3.130 1.00 4.25 C ATOM 787 O MET A 48 6.434 10.152 3.192 1.00 55.25 O ATOM 788 CB MET A 48 4.758 8.465 1.044 1.00 42.32 C ATOM 789 CG MET A 48 4.447 7.075 0.448 1.00 32.31 C ATOM 790 SD MET A 48 4.536 7.035 -1.361 1.00 70.13 S ATOM 791 CE MET A 48 3.246 8.188 -1.842 1.00 34.13 C ATOM 0 H MET A 48 2.687 8.163 2.440 1.00 4.05 H new ATOM 0 HA MET A 48 5.493 7.773 2.963 1.00 62.31 H new ATOM 0 HB2 MET A 48 4.019 9.178 0.679 1.00 42.32 H new ATOM 0 HB3 MET A 48 5.729 8.797 0.677 1.00 42.32 H new ATOM 0 HG2 MET A 48 5.149 6.347 0.856 1.00 32.31 H new ATOM 0 HG3 MET A 48 3.450 6.767 0.763 1.00 32.31 H new ATOM 0 HE1 MET A 48 2.450 7.650 -2.357 1.00 34.13 H new ATOM 0 HE2 MET A 48 2.841 8.672 -0.953 1.00 34.13 H new ATOM 0 HE3 MET A 48 3.663 8.943 -2.508 1.00 34.13 H new ATOM 801 N GLU A 49 4.268 10.722 3.527 1.00 40.44 N ATOM 802 CA GLU A 49 4.528 12.050 4.126 1.00 1.01 C ATOM 803 C GLU A 49 4.832 11.936 5.625 1.00 12.05 C ATOM 804 O GLU A 49 5.483 12.812 6.197 1.00 63.11 O ATOM 805 CB GLU A 49 3.304 12.979 3.902 1.00 54.12 C ATOM 806 CG GLU A 49 3.147 13.486 2.453 1.00 21.42 C ATOM 807 CD GLU A 49 4.228 14.504 2.052 1.00 51.12 C ATOM 808 OE1 GLU A 49 5.153 14.165 1.280 1.00 33.40 O ATOM 809 OE2 GLU A 49 4.154 15.659 2.522 1.00 4.52 O ATOM 0 H GLU A 49 3.275 10.505 3.443 1.00 40.44 H new ATOM 0 HA GLU A 49 5.403 12.477 3.636 1.00 1.01 H new ATOM 0 HB2 GLU A 49 2.399 12.443 4.187 1.00 54.12 H new ATOM 0 HB3 GLU A 49 3.388 13.838 4.568 1.00 54.12 H new ATOM 0 HG2 GLU A 49 3.185 12.637 1.771 1.00 21.42 H new ATOM 0 HG3 GLU A 49 2.164 13.944 2.339 1.00 21.42 H new ATOM 816 N LYS A 50 4.346 10.859 6.254 1.00 2.42 N ATOM 817 CA LYS A 50 4.473 10.652 7.713 1.00 44.44 C ATOM 818 C LYS A 50 5.664 9.744 8.048 1.00 54.10 C ATOM 819 O LYS A 50 6.222 9.056 7.185 1.00 63.01 O ATOM 820 CB LYS A 50 3.143 10.101 8.327 1.00 24.42 C ATOM 821 CG LYS A 50 2.150 11.192 8.806 1.00 24.15 C ATOM 822 CD LYS A 50 1.730 12.200 7.706 1.00 43.13 C ATOM 823 CE LYS A 50 0.766 13.267 8.245 1.00 62.34 C ATOM 824 NZ LYS A 50 0.313 14.203 7.186 1.00 41.32 N ATOM 0 H LYS A 50 3.854 10.105 5.773 1.00 2.42 H new ATOM 0 HA LYS A 50 4.666 11.624 8.167 1.00 44.44 H new ATOM 0 HB2 LYS A 50 2.646 9.478 7.583 1.00 24.42 H new ATOM 0 HB3 LYS A 50 3.388 9.456 9.171 1.00 24.42 H new ATOM 0 HG2 LYS A 50 1.256 10.706 9.198 1.00 24.15 H new ATOM 0 HG3 LYS A 50 2.602 11.741 9.632 1.00 24.15 H new ATOM 0 HD2 LYS A 50 2.618 12.685 7.300 1.00 43.13 H new ATOM 0 HD3 LYS A 50 1.255 11.664 6.884 1.00 43.13 H new ATOM 0 HE2 LYS A 50 -0.101 12.779 8.690 1.00 62.34 H new ATOM 0 HE3 LYS A 50 1.257 13.830 9.039 1.00 62.34 H new ATOM 0 HZ1 LYS A 50 -0.335 14.905 7.597 1.00 41.32 H new ATOM 0 HZ2 LYS A 50 1.136 14.690 6.778 1.00 41.32 H new ATOM 0 HZ3 LYS A 50 -0.180 13.671 6.440 1.00 41.32 H new ATOM 838 N GLN A 51 6.019 9.768 9.334 1.00 72.35 N ATOM 839 CA GLN A 51 7.205 9.116 9.882 1.00 3.04 C ATOM 840 C GLN A 51 6.873 7.687 10.335 1.00 21.13 C ATOM 841 O GLN A 51 5.856 7.458 11.007 1.00 45.05 O ATOM 842 CB GLN A 51 7.711 9.955 11.078 1.00 64.02 C ATOM 843 CG GLN A 51 8.982 9.435 11.781 1.00 61.21 C ATOM 844 CD GLN A 51 9.417 10.283 12.987 1.00 44.41 C ATOM 845 OE1 GLN A 51 9.990 9.765 13.940 1.00 53.23 O ATOM 846 NE2 GLN A 51 9.171 11.590 12.954 1.00 64.14 N ATOM 0 H GLN A 51 5.471 10.257 10.042 1.00 72.35 H new ATOM 0 HA GLN A 51 7.979 9.051 9.117 1.00 3.04 H new ATOM 0 HB2 GLN A 51 7.903 10.970 10.729 1.00 64.02 H new ATOM 0 HB3 GLN A 51 6.912 10.017 11.816 1.00 64.02 H new ATOM 0 HG2 GLN A 51 8.809 8.411 12.113 1.00 61.21 H new ATOM 0 HG3 GLN A 51 9.798 9.403 11.059 1.00 61.21 H new ATOM 0 HE21 GLN A 51 8.693 11.999 12.151 1.00 64.14 H new ATOM 0 HE22 GLN A 51 9.460 12.183 13.732 1.00 64.14 H new ATOM 855 N THR A 52 7.736 6.741 9.948 1.00 63.11 N ATOM 856 CA THR A 52 7.709 5.369 10.458 1.00 21.32 C ATOM 857 C THR A 52 8.357 5.348 11.869 1.00 20.11 C ATOM 858 O THR A 52 9.451 5.890 12.024 1.00 21.22 O ATOM 859 CB THR A 52 8.480 4.423 9.484 1.00 44.32 C ATOM 860 OG1 THR A 52 7.891 4.508 8.174 1.00 61.14 O ATOM 861 CG2 THR A 52 8.482 2.954 9.962 1.00 11.30 C ATOM 0 H THR A 52 8.477 6.909 9.268 1.00 63.11 H new ATOM 0 HA THR A 52 6.680 5.017 10.528 1.00 21.32 H new ATOM 0 HB THR A 52 9.519 4.752 9.458 1.00 44.32 H new ATOM 0 HG1 THR A 52 7.016 4.067 8.180 1.00 61.14 H new ATOM 0 HG21 THR A 52 9.031 2.340 9.248 1.00 11.30 H new ATOM 0 HG22 THR A 52 8.960 2.890 10.939 1.00 11.30 H new ATOM 0 HG23 THR A 52 7.456 2.594 10.036 1.00 11.30 H new ATOM 869 N PRO A 53 7.683 4.778 12.920 1.00 11.31 N ATOM 870 CA PRO A 53 8.266 4.661 14.290 1.00 1.31 C ATOM 871 C PRO A 53 9.456 3.651 14.351 1.00 65.31 C ATOM 872 O PRO A 53 9.578 2.786 13.478 1.00 63.52 O ATOM 873 CB PRO A 53 7.055 4.176 15.140 1.00 43.02 C ATOM 874 CG PRO A 53 6.170 3.464 14.164 1.00 41.23 C ATOM 875 CD PRO A 53 6.293 4.238 12.873 1.00 1.54 C ATOM 0 HA PRO A 53 8.698 5.597 14.644 1.00 1.31 H new ATOM 0 HB2 PRO A 53 7.375 3.512 15.943 1.00 43.02 H new ATOM 0 HB3 PRO A 53 6.537 5.014 15.607 1.00 43.02 H new ATOM 0 HG2 PRO A 53 6.483 2.428 14.033 1.00 41.23 H new ATOM 0 HG3 PRO A 53 5.137 3.443 14.513 1.00 41.23 H new ATOM 0 HD2 PRO A 53 6.141 3.597 12.005 1.00 1.54 H new ATOM 0 HD3 PRO A 53 5.554 5.037 12.812 1.00 1.54 H new ATOM 883 N PRO A 54 10.380 3.779 15.360 1.00 4.35 N ATOM 884 CA PRO A 54 11.467 2.790 15.587 1.00 33.41 C ATOM 885 C PRO A 54 10.941 1.480 16.225 1.00 43.53 C ATOM 886 O PRO A 54 11.235 0.376 15.750 1.00 51.45 O ATOM 887 CB PRO A 54 12.453 3.537 16.546 1.00 64.23 C ATOM 888 CG PRO A 54 11.966 4.962 16.612 1.00 20.44 C ATOM 889 CD PRO A 54 10.485 4.911 16.317 1.00 32.45 C ATOM 0 HA PRO A 54 11.937 2.473 14.656 1.00 33.41 H new ATOM 0 HB2 PRO A 54 12.457 3.080 17.535 1.00 64.23 H new ATOM 0 HB3 PRO A 54 13.475 3.491 16.169 1.00 64.23 H new ATOM 0 HG2 PRO A 54 12.153 5.393 17.596 1.00 20.44 H new ATOM 0 HG3 PRO A 54 12.487 5.586 15.886 1.00 20.44 H new ATOM 0 HD2 PRO A 54 9.899 4.734 17.219 1.00 32.45 H new ATOM 0 HD3 PRO A 54 10.127 5.844 15.881 1.00 32.45 H new ATOM 897 N GLY A 55 10.165 1.638 17.317 1.00 75.21 N ATOM 898 CA GLY A 55 9.627 0.522 18.090 1.00 72.22 C ATOM 899 C GLY A 55 8.381 -0.075 17.455 1.00 54.55 C ATOM 900 O GLY A 55 7.255 0.121 17.938 1.00 2.34 O ATOM 0 H GLY A 55 9.898 2.552 17.682 1.00 75.21 H new ATOM 0 HA2 GLY A 55 10.389 -0.251 18.185 1.00 72.22 H new ATOM 0 HA3 GLY A 55 9.390 0.862 19.098 1.00 72.22 H new ATOM 904 N ILE A 56 8.595 -0.791 16.349 1.00 50.31 N ATOM 905 CA ILE A 56 7.533 -1.475 15.605 1.00 14.40 C ATOM 906 C ILE A 56 7.265 -2.855 16.278 1.00 72.14 C ATOM 907 O ILE A 56 6.357 -2.946 17.094 1.00 10.00 O ATOM 908 CB ILE A 56 7.946 -1.579 14.073 1.00 32.01 C ATOM 909 CG1 ILE A 56 8.163 -0.158 13.459 1.00 72.24 C ATOM 910 CG2 ILE A 56 6.924 -2.384 13.240 1.00 65.34 C ATOM 911 CD1 ILE A 56 8.609 -0.150 12.009 1.00 12.23 C ATOM 0 H ILE A 56 9.521 -0.914 15.939 1.00 50.31 H new ATOM 0 HA ILE A 56 6.597 -0.917 15.633 1.00 14.40 H new ATOM 0 HB ILE A 56 8.889 -2.125 14.035 1.00 32.01 H new ATOM 0 HG12 ILE A 56 7.232 0.403 13.541 1.00 72.24 H new ATOM 0 HG13 ILE A 56 8.907 0.370 14.056 1.00 72.24 H new ATOM 0 HG21 ILE A 56 7.253 -2.425 12.202 1.00 65.34 H new ATOM 0 HG22 ILE A 56 6.848 -3.396 13.637 1.00 65.34 H new ATOM 0 HG23 ILE A 56 5.949 -1.899 13.293 1.00 65.34 H new ATOM 0 HD11 ILE A 56 8.733 0.879 11.672 1.00 12.23 H new ATOM 0 HD12 ILE A 56 9.558 -0.679 11.917 1.00 12.23 H new ATOM 0 HD13 ILE A 56 7.857 -0.645 11.394 1.00 12.23 H new ATOM 923 N THR A 57 8.077 -3.870 15.882 1.00 73.51 N ATOM 924 CA THR A 57 8.300 -5.233 16.454 1.00 21.43 C ATOM 925 C THR A 57 8.376 -6.212 15.275 1.00 3.33 C ATOM 926 O THR A 57 7.954 -5.870 14.160 1.00 24.34 O ATOM 927 CB THR A 57 7.305 -5.812 17.539 1.00 25.05 C ATOM 928 OG1 THR A 57 5.964 -5.745 17.094 1.00 62.42 O ATOM 929 CG2 THR A 57 7.460 -5.130 18.910 1.00 21.15 C ATOM 0 H THR A 57 8.662 -3.741 15.057 1.00 73.51 H new ATOM 0 HA THR A 57 9.214 -5.117 17.037 1.00 21.43 H new ATOM 0 HB THR A 57 7.572 -6.860 17.673 1.00 25.05 H new ATOM 0 HG1 THR A 57 5.372 -6.111 17.784 1.00 62.42 H new ATOM 0 HG21 THR A 57 6.753 -5.566 19.616 1.00 21.15 H new ATOM 0 HG22 THR A 57 8.476 -5.277 19.277 1.00 21.15 H new ATOM 0 HG23 THR A 57 7.261 -4.063 18.810 1.00 21.15 H new ATOM 937 N ARG A 58 8.911 -7.419 15.537 1.00 14.23 N ATOM 938 CA ARG A 58 9.180 -8.438 14.507 1.00 13.03 C ATOM 939 C ARG A 58 7.889 -8.871 13.768 1.00 33.22 C ATOM 940 O ARG A 58 7.829 -8.836 12.532 1.00 15.02 O ATOM 941 CB ARG A 58 9.860 -9.662 15.177 1.00 2.23 C ATOM 942 CG ARG A 58 10.254 -10.798 14.212 1.00 41.45 C ATOM 943 CD ARG A 58 11.291 -10.363 13.160 1.00 14.23 C ATOM 944 NE ARG A 58 11.559 -11.445 12.206 1.00 1.13 N ATOM 945 CZ ARG A 58 11.012 -11.558 10.992 1.00 41.40 C ATOM 946 NH1 ARG A 58 10.163 -10.641 10.527 1.00 53.41 N ATOM 947 NH2 ARG A 58 11.309 -12.609 10.253 1.00 40.22 N ATOM 0 H ARG A 58 9.171 -7.716 16.478 1.00 14.23 H new ATOM 0 HA ARG A 58 9.843 -8.006 13.757 1.00 13.03 H new ATOM 0 HB2 ARG A 58 10.755 -9.321 15.698 1.00 2.23 H new ATOM 0 HB3 ARG A 58 9.185 -10.065 15.932 1.00 2.23 H new ATOM 0 HG2 ARG A 58 10.656 -11.632 14.787 1.00 41.45 H new ATOM 0 HG3 ARG A 58 9.361 -11.162 13.704 1.00 41.45 H new ATOM 0 HD2 ARG A 58 10.927 -9.485 12.626 1.00 14.23 H new ATOM 0 HD3 ARG A 58 12.217 -10.073 13.656 1.00 14.23 H new ATOM 0 HE ARG A 58 12.216 -12.170 12.493 1.00 1.13 H new ATOM 0 HH11 ARG A 58 9.920 -9.834 11.101 1.00 53.41 H new ATOM 0 HH12 ARG A 58 9.757 -10.747 9.597 1.00 53.41 H new ATOM 0 HH21 ARG A 58 11.947 -13.320 10.610 1.00 40.22 H new ATOM 0 HH22 ARG A 58 10.900 -12.711 9.324 1.00 40.22 H new ATOM 961 N SER A 59 6.865 -9.258 14.552 1.00 33.44 N ATOM 962 CA SER A 59 5.570 -9.730 14.024 1.00 15.42 C ATOM 963 C SER A 59 4.826 -8.628 13.245 1.00 41.14 C ATOM 964 O SER A 59 4.189 -8.902 12.215 1.00 31.23 O ATOM 965 CB SER A 59 4.700 -10.256 15.180 1.00 30.53 C ATOM 966 OG SER A 59 5.372 -11.292 15.876 1.00 22.24 O ATOM 0 H SER A 59 6.912 -9.252 15.571 1.00 33.44 H new ATOM 0 HA SER A 59 5.769 -10.539 13.321 1.00 15.42 H new ATOM 0 HB2 SER A 59 4.465 -9.442 15.866 1.00 30.53 H new ATOM 0 HB3 SER A 59 3.752 -10.627 14.790 1.00 30.53 H new ATOM 0 HG SER A 59 4.806 -11.614 16.609 1.00 22.24 H new ATOM 972 N ILE A 60 4.941 -7.374 13.726 1.00 52.02 N ATOM 973 CA ILE A 60 4.320 -6.217 13.061 1.00 41.20 C ATOM 974 C ILE A 60 5.057 -5.904 11.753 1.00 74.13 C ATOM 975 O ILE A 60 4.434 -5.510 10.780 1.00 74.42 O ATOM 976 CB ILE A 60 4.283 -4.948 13.982 1.00 41.55 C ATOM 977 CG1 ILE A 60 3.444 -5.218 15.268 1.00 44.52 C ATOM 978 CG2 ILE A 60 3.732 -3.712 13.225 1.00 3.32 C ATOM 979 CD1 ILE A 60 3.431 -4.059 16.248 1.00 64.52 C ATOM 0 H ILE A 60 5.459 -7.139 14.573 1.00 52.02 H new ATOM 0 HA ILE A 60 3.286 -6.484 12.842 1.00 41.20 H new ATOM 0 HB ILE A 60 5.309 -4.730 14.278 1.00 41.55 H new ATOM 0 HG12 ILE A 60 2.419 -5.448 14.979 1.00 44.52 H new ATOM 0 HG13 ILE A 60 3.840 -6.101 15.770 1.00 44.52 H new ATOM 0 HG21 ILE A 60 3.721 -2.851 13.894 1.00 3.32 H new ATOM 0 HG22 ILE A 60 4.369 -3.497 12.367 1.00 3.32 H new ATOM 0 HG23 ILE A 60 2.718 -3.918 12.881 1.00 3.32 H new ATOM 0 HD11 ILE A 60 2.827 -4.323 17.116 1.00 64.52 H new ATOM 0 HD12 ILE A 60 4.450 -3.841 16.568 1.00 64.52 H new ATOM 0 HD13 ILE A 60 3.007 -3.179 15.765 1.00 64.52 H new ATOM 991 N GLN A 61 6.381 -6.104 11.748 1.00 24.12 N ATOM 992 CA GLN A 61 7.213 -5.952 10.543 1.00 55.13 C ATOM 993 C GLN A 61 6.751 -6.946 9.457 1.00 4.51 C ATOM 994 O GLN A 61 6.705 -6.603 8.276 1.00 11.30 O ATOM 995 CB GLN A 61 8.703 -6.186 10.890 1.00 3.10 C ATOM 996 CG GLN A 61 9.676 -6.053 9.705 1.00 13.13 C ATOM 997 CD GLN A 61 11.108 -6.451 10.061 1.00 13.25 C ATOM 998 OE1 GLN A 61 12.084 -5.813 9.440 1.00 73.35 O flip ATOM 999 NE2 GLN A 61 11.330 -7.329 10.897 1.00 43.11 N flip ATOM 0 H GLN A 61 6.908 -6.376 12.578 1.00 24.12 H new ATOM 0 HA GLN A 61 7.102 -4.937 10.160 1.00 55.13 H new ATOM 0 HB2 GLN A 61 8.996 -5.476 11.663 1.00 3.10 H new ATOM 0 HB3 GLN A 61 8.809 -7.183 11.317 1.00 3.10 H new ATOM 0 HG2 GLN A 61 9.325 -6.676 8.882 1.00 13.13 H new ATOM 0 HG3 GLN A 61 9.669 -5.023 9.350 1.00 13.13 H new ATOM 0 HE21 GLN A 61 10.553 -7.802 11.358 1.00 43.11 H new ATOM 0 HE22 GLN A 61 12.291 -7.582 11.128 1.00 43.11 H new ATOM 1008 N ASP A 62 6.388 -8.170 9.894 1.00 54.25 N ATOM 1009 CA ASP A 62 5.822 -9.203 9.000 1.00 33.01 C ATOM 1010 C ASP A 62 4.446 -8.789 8.434 1.00 35.10 C ATOM 1011 O ASP A 62 4.176 -9.006 7.247 1.00 20.42 O ATOM 1012 CB ASP A 62 5.697 -10.567 9.730 1.00 73.43 C ATOM 1013 CG ASP A 62 7.053 -11.220 10.048 1.00 3.13 C ATOM 1014 OD1 ASP A 62 7.389 -11.396 11.243 1.00 33.11 O ATOM 1015 OD2 ASP A 62 7.790 -11.561 9.089 1.00 4.44 O ATOM 0 H ASP A 62 6.477 -8.468 10.865 1.00 54.25 H new ATOM 0 HA ASP A 62 6.516 -9.306 8.165 1.00 33.01 H new ATOM 0 HB2 ASP A 62 5.145 -10.424 10.659 1.00 73.43 H new ATOM 0 HB3 ASP A 62 5.111 -11.248 9.113 1.00 73.43 H new ATOM 1020 N MET A 63 3.581 -8.213 9.297 1.00 4.34 N ATOM 1021 CA MET A 63 2.217 -7.787 8.896 1.00 12.15 C ATOM 1022 C MET A 63 2.259 -6.594 7.917 1.00 52.00 C ATOM 1023 O MET A 63 1.610 -6.634 6.859 1.00 1.14 O ATOM 1024 CB MET A 63 1.340 -7.449 10.132 1.00 21.30 C ATOM 1025 CG MET A 63 1.094 -8.634 11.075 1.00 31.15 C ATOM 1026 SD MET A 63 -0.160 -8.276 12.332 1.00 53.42 S ATOM 1027 CE MET A 63 0.582 -6.929 13.264 1.00 14.33 C ATOM 0 H MET A 63 3.801 -8.031 10.276 1.00 4.34 H new ATOM 0 HA MET A 63 1.760 -8.630 8.378 1.00 12.15 H new ATOM 0 HB2 MET A 63 1.818 -6.646 10.693 1.00 21.30 H new ATOM 0 HB3 MET A 63 0.379 -7.068 9.787 1.00 21.30 H new ATOM 0 HG2 MET A 63 0.781 -9.499 10.491 1.00 31.15 H new ATOM 0 HG3 MET A 63 2.029 -8.903 11.566 1.00 31.15 H new ATOM 0 HE1 MET A 63 -0.123 -6.576 14.017 1.00 14.33 H new ATOM 0 HE2 MET A 63 1.490 -7.282 13.754 1.00 14.33 H new ATOM 0 HE3 MET A 63 0.829 -6.111 12.587 1.00 14.33 H new ATOM 1037 N VAL A 64 3.038 -5.554 8.283 1.00 32.23 N ATOM 1038 CA VAL A 64 3.245 -4.355 7.458 1.00 50.32 C ATOM 1039 C VAL A 64 3.874 -4.729 6.104 1.00 45.42 C ATOM 1040 O VAL A 64 3.272 -4.451 5.081 1.00 51.41 O ATOM 1041 CB VAL A 64 4.128 -3.265 8.192 1.00 1.41 C ATOM 1042 CG1 VAL A 64 4.460 -2.088 7.247 1.00 34.50 C ATOM 1043 CG2 VAL A 64 3.436 -2.746 9.481 1.00 60.54 C ATOM 0 H VAL A 64 3.544 -5.527 9.169 1.00 32.23 H new ATOM 0 HA VAL A 64 2.263 -3.915 7.285 1.00 50.32 H new ATOM 0 HB VAL A 64 5.062 -3.747 8.482 1.00 1.41 H new ATOM 0 HG11 VAL A 64 5.067 -1.355 7.778 1.00 34.50 H new ATOM 0 HG12 VAL A 64 5.012 -2.459 6.384 1.00 34.50 H new ATOM 0 HG13 VAL A 64 3.535 -1.618 6.912 1.00 34.50 H new ATOM 0 HG21 VAL A 64 4.070 -1.999 9.959 1.00 60.54 H new ATOM 0 HG22 VAL A 64 2.477 -2.296 9.223 1.00 60.54 H new ATOM 0 HG23 VAL A 64 3.274 -3.577 10.167 1.00 60.54 H new ATOM 1053 N ALA A 65 5.055 -5.402 6.118 1.00 22.13 N ATOM 1054 CA ALA A 65 5.756 -5.812 4.870 1.00 64.33 C ATOM 1055 C ALA A 65 4.907 -6.793 4.051 1.00 51.45 C ATOM 1056 O ALA A 65 5.023 -6.839 2.833 1.00 5.32 O ATOM 1057 CB ALA A 65 7.138 -6.423 5.155 1.00 21.12 C ATOM 0 H ALA A 65 5.540 -5.671 6.974 1.00 22.13 H new ATOM 0 HA ALA A 65 5.906 -4.904 4.286 1.00 64.33 H new ATOM 0 HB1 ALA A 65 7.611 -6.707 4.215 1.00 21.12 H new ATOM 0 HB2 ALA A 65 7.761 -5.690 5.668 1.00 21.12 H new ATOM 0 HB3 ALA A 65 7.023 -7.306 5.784 1.00 21.12 H new ATOM 1063 N GLY A 66 4.048 -7.563 4.746 1.00 53.41 N ATOM 1064 CA GLY A 66 3.064 -8.429 4.090 1.00 43.53 C ATOM 1065 C GLY A 66 2.049 -7.623 3.285 1.00 43.30 C ATOM 1066 O GLY A 66 1.736 -7.964 2.150 1.00 55.32 O ATOM 0 H GLY A 66 4.020 -7.599 5.765 1.00 53.41 H new ATOM 0 HA2 GLY A 66 3.578 -9.129 3.431 1.00 43.53 H new ATOM 0 HA3 GLY A 66 2.543 -9.022 4.842 1.00 43.53 H new ATOM 1070 N TYR A 67 1.578 -6.511 3.872 1.00 54.12 N ATOM 1071 CA TYR A 67 0.583 -5.621 3.233 1.00 52.01 C ATOM 1072 C TYR A 67 1.205 -4.679 2.200 1.00 44.21 C ATOM 1073 O TYR A 67 0.516 -4.276 1.252 1.00 33.54 O ATOM 1074 CB TYR A 67 -0.200 -4.835 4.308 1.00 70.34 C ATOM 1075 CG TYR A 67 -1.185 -5.707 5.110 1.00 74.03 C ATOM 1076 CD1 TYR A 67 -1.537 -7.005 4.697 1.00 31.12 C ATOM 1077 CD2 TYR A 67 -1.773 -5.224 6.266 1.00 21.13 C ATOM 1078 CE1 TYR A 67 -2.430 -7.767 5.416 1.00 12.03 C ATOM 1079 CE2 TYR A 67 -2.665 -5.989 6.980 1.00 73.45 C ATOM 1080 CZ TYR A 67 -2.991 -7.255 6.553 1.00 64.31 C ATOM 1081 OH TYR A 67 -3.885 -8.016 7.278 1.00 22.05 O ATOM 0 H TYR A 67 1.872 -6.201 4.798 1.00 54.12 H new ATOM 0 HA TYR A 67 -0.112 -6.256 2.683 1.00 52.01 H new ATOM 0 HB2 TYR A 67 0.508 -4.373 4.996 1.00 70.34 H new ATOM 0 HB3 TYR A 67 -0.751 -4.027 3.827 1.00 70.34 H new ATOM 0 HD1 TYR A 67 -1.098 -7.412 3.798 1.00 31.12 H new ATOM 0 HD2 TYR A 67 -1.527 -4.231 6.613 1.00 21.13 H new ATOM 0 HE1 TYR A 67 -2.686 -8.762 5.084 1.00 12.03 H new ATOM 0 HE2 TYR A 67 -3.112 -5.594 7.880 1.00 73.45 H new ATOM 0 HH TYR A 67 -4.191 -7.507 8.058 1.00 22.05 H new ATOM 1091 N ILE A 68 2.501 -4.346 2.376 1.00 35.42 N ATOM 1092 CA ILE A 68 3.259 -3.601 1.362 1.00 1.11 C ATOM 1093 C ILE A 68 3.393 -4.507 0.132 1.00 12.53 C ATOM 1094 O ILE A 68 3.019 -4.112 -0.963 1.00 33.02 O ATOM 1095 CB ILE A 68 4.696 -3.128 1.828 1.00 24.12 C ATOM 1096 CG1 ILE A 68 4.625 -2.313 3.155 1.00 10.05 C ATOM 1097 CG2 ILE A 68 5.378 -2.296 0.704 1.00 33.20 C ATOM 1098 CD1 ILE A 68 5.960 -1.778 3.652 1.00 20.32 C ATOM 0 H ILE A 68 3.039 -4.583 3.210 1.00 35.42 H new ATOM 0 HA ILE A 68 2.709 -2.684 1.152 1.00 1.11 H new ATOM 0 HB ILE A 68 5.298 -4.016 2.022 1.00 24.12 H new ATOM 0 HG12 ILE A 68 3.944 -1.474 3.013 1.00 10.05 H new ATOM 0 HG13 ILE A 68 4.193 -2.946 3.930 1.00 10.05 H new ATOM 0 HG21 ILE A 68 6.366 -1.976 1.036 1.00 33.20 H new ATOM 0 HG22 ILE A 68 5.477 -2.908 -0.192 1.00 33.20 H new ATOM 0 HG23 ILE A 68 4.770 -1.420 0.480 1.00 33.20 H new ATOM 0 HD11 ILE A 68 5.808 -1.226 4.579 1.00 20.32 H new ATOM 0 HD12 ILE A 68 6.641 -2.610 3.832 1.00 20.32 H new ATOM 0 HD13 ILE A 68 6.389 -1.115 2.901 1.00 20.32 H new ATOM 1110 N LYS A 69 3.832 -5.767 0.374 1.00 71.23 N ATOM 1111 CA LYS A 69 3.977 -6.797 -0.671 1.00 43.53 C ATOM 1112 C LYS A 69 2.661 -6.983 -1.431 1.00 42.23 C ATOM 1113 O LYS A 69 2.660 -6.968 -2.657 1.00 4.42 O ATOM 1114 CB LYS A 69 4.408 -8.168 -0.067 1.00 4.02 C ATOM 1115 CG LYS A 69 4.657 -9.269 -1.125 1.00 4.03 C ATOM 1116 CD LYS A 69 5.867 -8.966 -2.080 1.00 21.01 C ATOM 1117 CE LYS A 69 5.513 -9.146 -3.574 1.00 61.11 C ATOM 1118 NZ LYS A 69 4.836 -10.444 -3.848 1.00 34.13 N ATOM 0 H LYS A 69 4.095 -6.093 1.304 1.00 71.23 H new ATOM 0 HA LYS A 69 4.753 -6.453 -1.354 1.00 43.53 H new ATOM 0 HB2 LYS A 69 5.317 -8.027 0.517 1.00 4.02 H new ATOM 0 HB3 LYS A 69 3.636 -8.509 0.623 1.00 4.02 H new ATOM 0 HG2 LYS A 69 4.836 -10.216 -0.616 1.00 4.03 H new ATOM 0 HG3 LYS A 69 3.755 -9.395 -1.724 1.00 4.03 H new ATOM 0 HD2 LYS A 69 6.208 -7.944 -1.913 1.00 21.01 H new ATOM 0 HD3 LYS A 69 6.697 -9.625 -1.826 1.00 21.01 H new ATOM 0 HE2 LYS A 69 4.866 -8.328 -3.892 1.00 61.11 H new ATOM 0 HE3 LYS A 69 6.423 -9.082 -4.170 1.00 61.11 H new ATOM 0 HZ1 LYS A 69 4.951 -10.690 -4.852 1.00 34.13 H new ATOM 0 HZ2 LYS A 69 5.260 -11.188 -3.258 1.00 34.13 H new ATOM 0 HZ3 LYS A 69 3.823 -10.361 -3.626 1.00 34.13 H new ATOM 1132 N GLN A 70 1.560 -7.092 -0.659 1.00 4.13 N ATOM 1133 CA GLN A 70 0.206 -7.300 -1.192 1.00 35.43 C ATOM 1134 C GLN A 70 -0.166 -6.177 -2.165 1.00 62.33 C ATOM 1135 O GLN A 70 -0.537 -6.445 -3.311 1.00 33.40 O ATOM 1136 CB GLN A 70 -0.835 -7.377 -0.041 1.00 21.42 C ATOM 1137 CG GLN A 70 -2.296 -7.559 -0.521 1.00 31.41 C ATOM 1138 CD GLN A 70 -3.311 -7.765 0.611 1.00 71.34 C ATOM 1139 OE1 GLN A 70 -3.148 -7.264 1.721 1.00 13.32 O ATOM 1140 NE2 GLN A 70 -4.368 -8.509 0.335 1.00 12.52 N ATOM 0 H GLN A 70 1.590 -7.037 0.359 1.00 4.13 H new ATOM 0 HA GLN A 70 0.196 -8.248 -1.730 1.00 35.43 H new ATOM 0 HB2 GLN A 70 -0.574 -8.207 0.616 1.00 21.42 H new ATOM 0 HB3 GLN A 70 -0.770 -6.466 0.555 1.00 21.42 H new ATOM 0 HG2 GLN A 70 -2.588 -6.683 -1.100 1.00 31.41 H new ATOM 0 HG3 GLN A 70 -2.341 -8.415 -1.194 1.00 31.41 H new ATOM 0 HE21 GLN A 70 -4.479 -8.913 -0.595 1.00 12.52 H new ATOM 0 HE22 GLN A 70 -5.073 -8.679 1.052 1.00 12.52 H new ATOM 1149 N THR A 71 0.009 -4.915 -1.718 1.00 22.31 N ATOM 1150 CA THR A 71 -0.321 -3.745 -2.534 1.00 53.01 C ATOM 1151 C THR A 71 0.692 -3.546 -3.675 1.00 15.25 C ATOM 1152 O THR A 71 0.372 -2.856 -4.622 1.00 31.15 O ATOM 1153 CB THR A 71 -0.521 -2.433 -1.693 1.00 73.11 C ATOM 1154 OG1 THR A 71 -0.974 -1.364 -2.542 1.00 30.23 O ATOM 1155 CG2 THR A 71 0.720 -1.969 -0.927 1.00 23.32 C ATOM 0 H THR A 71 0.378 -4.689 -0.794 1.00 22.31 H new ATOM 0 HA THR A 71 -1.291 -3.957 -2.984 1.00 53.01 H new ATOM 0 HB THR A 71 -1.269 -2.687 -0.942 1.00 73.11 H new ATOM 0 HG1 THR A 71 -1.894 -1.542 -2.830 1.00 30.23 H new ATOM 0 HG21 THR A 71 0.488 -1.058 -0.376 1.00 23.32 H new ATOM 0 HG22 THR A 71 1.028 -2.747 -0.228 1.00 23.32 H new ATOM 0 HG23 THR A 71 1.529 -1.772 -1.630 1.00 23.32 H new ATOM 1163 N LEU A 72 1.911 -4.144 -3.566 1.00 2.12 N ATOM 1164 CA LEU A 72 2.926 -4.120 -4.657 1.00 43.31 C ATOM 1165 C LEU A 72 2.614 -5.164 -5.739 1.00 32.05 C ATOM 1166 O LEU A 72 2.985 -4.975 -6.907 1.00 62.51 O ATOM 1167 CB LEU A 72 4.384 -4.325 -4.137 1.00 13.31 C ATOM 1168 CG LEU A 72 4.933 -3.238 -3.158 1.00 70.32 C ATOM 1169 CD1 LEU A 72 6.469 -3.306 -3.012 1.00 61.13 C ATOM 1170 CD2 LEU A 72 4.448 -1.833 -3.552 1.00 22.42 C ATOM 0 H LEU A 72 2.214 -4.649 -2.733 1.00 2.12 H new ATOM 0 HA LEU A 72 2.866 -3.122 -5.092 1.00 43.31 H new ATOM 0 HB2 LEU A 72 4.435 -5.292 -3.637 1.00 13.31 H new ATOM 0 HB3 LEU A 72 5.050 -4.376 -4.999 1.00 13.31 H new ATOM 0 HG LEU A 72 4.523 -3.456 -2.172 1.00 70.32 H new ATOM 0 HD11 LEU A 72 6.804 -2.531 -2.322 1.00 61.13 H new ATOM 0 HD12 LEU A 72 6.755 -4.284 -2.626 1.00 61.13 H new ATOM 0 HD13 LEU A 72 6.934 -3.150 -3.985 1.00 61.13 H new ATOM 0 HD21 LEU A 72 4.848 -1.100 -2.851 1.00 22.42 H new ATOM 0 HD22 LEU A 72 4.793 -1.598 -4.559 1.00 22.42 H new ATOM 0 HD23 LEU A 72 3.359 -1.804 -3.526 1.00 22.42 H new ATOM 1182 N ASP A 73 1.952 -6.267 -5.343 1.00 52.24 N ATOM 1183 CA ASP A 73 1.411 -7.247 -6.301 1.00 54.53 C ATOM 1184 C ASP A 73 0.308 -6.558 -7.105 1.00 61.32 C ATOM 1185 O ASP A 73 0.380 -6.481 -8.328 1.00 61.33 O ATOM 1186 CB ASP A 73 0.851 -8.527 -5.601 1.00 62.24 C ATOM 1187 CG ASP A 73 1.948 -9.416 -4.988 1.00 13.13 C ATOM 1188 OD1 ASP A 73 2.055 -9.497 -3.748 1.00 3.53 O ATOM 1189 OD2 ASP A 73 2.724 -10.035 -5.756 1.00 54.23 O ATOM 0 H ASP A 73 1.779 -6.501 -4.365 1.00 52.24 H new ATOM 0 HA ASP A 73 2.219 -7.584 -6.950 1.00 54.53 H new ATOM 0 HB2 ASP A 73 0.155 -8.229 -4.817 1.00 62.24 H new ATOM 0 HB3 ASP A 73 0.284 -9.110 -6.326 1.00 62.24 H new ATOM 1194 N ASN A 74 -0.647 -5.971 -6.360 1.00 3.21 N ATOM 1195 CA ASN A 74 -1.804 -5.239 -6.913 1.00 30.41 C ATOM 1196 C ASN A 74 -1.343 -4.023 -7.740 1.00 4.13 C ATOM 1197 O ASN A 74 -1.970 -3.675 -8.735 1.00 62.55 O ATOM 1198 CB ASN A 74 -2.742 -4.773 -5.768 1.00 11.41 C ATOM 1199 CG ASN A 74 -3.132 -5.889 -4.795 1.00 55.11 C ATOM 1200 OD1 ASN A 74 -3.221 -7.061 -5.159 1.00 44.43 O ATOM 1201 ND2 ASN A 74 -3.355 -5.528 -3.540 1.00 64.10 N ATOM 0 H ASN A 74 -0.637 -5.992 -5.340 1.00 3.21 H new ATOM 0 HA ASN A 74 -2.350 -5.916 -7.570 1.00 30.41 H new ATOM 0 HB2 ASN A 74 -2.252 -3.974 -5.212 1.00 11.41 H new ATOM 0 HB3 ASN A 74 -3.648 -4.350 -6.202 1.00 11.41 H new ATOM 0 HD21 ASN A 74 -3.608 -6.230 -2.845 1.00 64.10 H new ATOM 0 HD22 ASN A 74 -3.273 -4.548 -3.269 1.00 64.10 H new ATOM 1208 N GLU A 75 -0.224 -3.410 -7.306 1.00 72.10 N ATOM 1209 CA GLU A 75 0.418 -2.274 -7.991 1.00 11.41 C ATOM 1210 C GLU A 75 0.866 -2.709 -9.391 1.00 61.51 C ATOM 1211 O GLU A 75 0.344 -2.227 -10.388 1.00 15.23 O ATOM 1212 CB GLU A 75 1.637 -1.787 -7.147 1.00 41.45 C ATOM 1213 CG GLU A 75 2.419 -0.580 -7.690 1.00 21.13 C ATOM 1214 CD GLU A 75 1.623 0.736 -7.736 1.00 33.40 C ATOM 1215 OE1 GLU A 75 1.713 1.448 -8.748 1.00 73.01 O ATOM 1216 OE2 GLU A 75 0.917 1.072 -6.763 1.00 53.41 O ATOM 0 H GLU A 75 0.265 -3.695 -6.458 1.00 72.10 H new ATOM 0 HA GLU A 75 -0.289 -1.451 -8.093 1.00 11.41 H new ATOM 0 HB2 GLU A 75 1.280 -1.539 -6.147 1.00 41.45 H new ATOM 0 HB3 GLU A 75 2.331 -2.621 -7.040 1.00 41.45 H new ATOM 0 HG2 GLU A 75 3.305 -0.431 -7.073 1.00 21.13 H new ATOM 0 HG3 GLU A 75 2.767 -0.813 -8.696 1.00 21.13 H new ATOM 1223 N GLN A 76 1.756 -3.709 -9.441 1.00 62.13 N ATOM 1224 CA GLN A 76 2.354 -4.180 -10.704 1.00 0.41 C ATOM 1225 C GLN A 76 1.292 -4.772 -11.658 1.00 63.32 C ATOM 1226 O GLN A 76 1.371 -4.574 -12.879 1.00 44.04 O ATOM 1227 CB GLN A 76 3.464 -5.216 -10.408 1.00 72.23 C ATOM 1228 CG GLN A 76 4.133 -5.794 -11.670 1.00 54.20 C ATOM 1229 CD GLN A 76 5.350 -6.674 -11.404 1.00 14.15 C ATOM 1230 OE1 GLN A 76 6.264 -6.728 -12.219 1.00 11.11 O ATOM 1231 NE2 GLN A 76 5.376 -7.390 -10.288 1.00 21.43 N ATOM 0 H GLN A 76 2.082 -4.213 -8.616 1.00 62.13 H new ATOM 0 HA GLN A 76 2.794 -3.320 -11.209 1.00 0.41 H new ATOM 0 HB2 GLN A 76 4.227 -4.748 -9.786 1.00 72.23 H new ATOM 0 HB3 GLN A 76 3.038 -6.034 -9.828 1.00 72.23 H new ATOM 0 HG2 GLN A 76 3.395 -6.377 -12.221 1.00 54.20 H new ATOM 0 HG3 GLN A 76 4.433 -4.968 -12.315 1.00 54.20 H new ATOM 0 HE21 GLN A 76 4.604 -7.329 -9.625 1.00 21.43 H new ATOM 0 HE22 GLN A 76 6.168 -8.002 -10.093 1.00 21.43 H new ATOM 1240 N LEU A 77 0.291 -5.461 -11.084 1.00 53.13 N ATOM 1241 CA LEU A 77 -0.786 -6.097 -11.858 1.00 40.14 C ATOM 1242 C LEU A 77 -1.683 -5.032 -12.510 1.00 55.13 C ATOM 1243 O LEU A 77 -1.833 -5.029 -13.727 1.00 63.13 O ATOM 1244 CB LEU A 77 -1.613 -7.062 -10.964 1.00 72.24 C ATOM 1245 CG LEU A 77 -0.852 -8.331 -10.454 1.00 11.00 C ATOM 1246 CD1 LEU A 77 -1.728 -9.180 -9.506 1.00 31.33 C ATOM 1247 CD2 LEU A 77 -0.313 -9.166 -11.635 1.00 42.20 C ATOM 0 H LEU A 77 0.207 -5.592 -10.076 1.00 53.13 H new ATOM 0 HA LEU A 77 -0.335 -6.689 -12.654 1.00 40.14 H new ATOM 0 HB2 LEU A 77 -1.976 -6.506 -10.099 1.00 72.24 H new ATOM 0 HB3 LEU A 77 -2.489 -7.387 -11.525 1.00 72.24 H new ATOM 0 HG LEU A 77 0.005 -7.991 -9.873 1.00 11.00 H new ATOM 0 HD11 LEU A 77 -1.165 -10.052 -9.173 1.00 31.33 H new ATOM 0 HD12 LEU A 77 -2.014 -8.581 -8.641 1.00 31.33 H new ATOM 0 HD13 LEU A 77 -2.624 -9.507 -10.034 1.00 31.33 H new ATOM 0 HD21 LEU A 77 0.211 -10.042 -11.252 1.00 42.20 H new ATOM 0 HD22 LEU A 77 -1.144 -9.487 -12.263 1.00 42.20 H new ATOM 0 HD23 LEU A 77 0.375 -8.560 -12.225 1.00 42.20 H new ATOM 1259 N LEU A 78 -2.219 -4.099 -11.697 1.00 1.24 N ATOM 1260 CA LEU A 78 -3.128 -3.031 -12.182 1.00 13.11 C ATOM 1261 C LEU A 78 -2.446 -2.111 -13.186 1.00 1.12 C ATOM 1262 O LEU A 78 -2.950 -1.914 -14.283 1.00 20.10 O ATOM 1263 CB LEU A 78 -3.686 -2.187 -10.999 1.00 41.45 C ATOM 1264 CG LEU A 78 -4.764 -2.899 -10.144 1.00 4.34 C ATOM 1265 CD1 LEU A 78 -5.242 -2.006 -8.987 1.00 71.40 C ATOM 1266 CD2 LEU A 78 -5.933 -3.336 -11.039 1.00 50.13 C ATOM 0 H LEU A 78 -2.038 -4.061 -10.694 1.00 1.24 H new ATOM 0 HA LEU A 78 -3.954 -3.533 -12.685 1.00 13.11 H new ATOM 0 HB2 LEU A 78 -2.857 -1.904 -10.351 1.00 41.45 H new ATOM 0 HB3 LEU A 78 -4.109 -1.265 -11.397 1.00 41.45 H new ATOM 0 HG LEU A 78 -4.322 -3.788 -9.694 1.00 4.34 H new ATOM 0 HD11 LEU A 78 -5.998 -2.536 -8.407 1.00 71.40 H new ATOM 0 HD12 LEU A 78 -4.397 -1.761 -8.344 1.00 71.40 H new ATOM 0 HD13 LEU A 78 -5.670 -1.088 -9.389 1.00 71.40 H new ATOM 0 HD21 LEU A 78 -6.688 -3.836 -10.433 1.00 50.13 H new ATOM 0 HD22 LEU A 78 -6.373 -2.460 -11.517 1.00 50.13 H new ATOM 0 HD23 LEU A 78 -5.569 -4.022 -11.804 1.00 50.13 H new ATOM 1278 N LYS A 79 -1.288 -1.579 -12.798 1.00 64.32 N ATOM 1279 CA LYS A 79 -0.564 -0.566 -13.591 1.00 21.44 C ATOM 1280 C LYS A 79 0.100 -1.208 -14.823 1.00 13.43 C ATOM 1281 O LYS A 79 0.291 -0.560 -15.852 1.00 2.21 O ATOM 1282 CB LYS A 79 0.472 0.159 -12.691 1.00 73.31 C ATOM 1283 CG LYS A 79 -0.081 0.636 -11.327 1.00 5.25 C ATOM 1284 CD LYS A 79 -1.375 1.484 -11.404 1.00 51.25 C ATOM 1285 CE LYS A 79 -2.011 1.674 -10.011 1.00 51.23 C ATOM 1286 NZ LYS A 79 -1.086 2.344 -9.051 1.00 65.42 N ATOM 0 H LYS A 79 -0.820 -1.832 -11.928 1.00 64.32 H new ATOM 0 HA LYS A 79 -1.273 0.175 -13.960 1.00 21.44 H new ATOM 0 HB2 LYS A 79 1.312 -0.513 -12.513 1.00 73.31 H new ATOM 0 HB3 LYS A 79 0.863 1.021 -13.231 1.00 73.31 H new ATOM 0 HG2 LYS A 79 -0.274 -0.238 -10.705 1.00 5.25 H new ATOM 0 HG3 LYS A 79 0.689 1.221 -10.825 1.00 5.25 H new ATOM 0 HD2 LYS A 79 -1.148 2.458 -11.837 1.00 51.25 H new ATOM 0 HD3 LYS A 79 -2.090 0.999 -12.068 1.00 51.25 H new ATOM 0 HE2 LYS A 79 -2.921 2.266 -10.108 1.00 51.23 H new ATOM 0 HE3 LYS A 79 -2.303 0.703 -9.612 1.00 51.23 H new ATOM 0 HZ1 LYS A 79 -1.378 2.125 -8.077 1.00 65.42 H new ATOM 0 HZ2 LYS A 79 -0.116 2.002 -9.207 1.00 65.42 H new ATOM 0 HZ3 LYS A 79 -1.118 3.373 -9.199 1.00 65.42 H new ATOM 1300 N GLY A 80 0.440 -2.503 -14.702 1.00 64.31 N ATOM 1301 CA GLY A 80 0.905 -3.295 -15.844 1.00 24.23 C ATOM 1302 C GLY A 80 -0.236 -3.688 -16.779 1.00 34.00 C ATOM 1303 O GLY A 80 -0.005 -3.972 -17.952 1.00 23.05 O ATOM 0 H GLY A 80 0.400 -3.019 -13.823 1.00 64.31 H new ATOM 0 HA2 GLY A 80 1.648 -2.724 -16.401 1.00 24.23 H new ATOM 0 HA3 GLY A 80 1.401 -4.195 -15.481 1.00 24.23 H new ATOM 1307 N LEU A 81 -1.469 -3.731 -16.237 1.00 25.33 N ATOM 1308 CA LEU A 81 -2.688 -4.051 -17.003 1.00 52.51 C ATOM 1309 C LEU A 81 -3.167 -2.803 -17.768 1.00 33.54 C ATOM 1310 O LEU A 81 -3.552 -2.909 -18.934 1.00 71.41 O ATOM 1311 CB LEU A 81 -3.799 -4.601 -16.032 1.00 3.32 C ATOM 1312 CG LEU A 81 -4.965 -5.468 -16.640 1.00 44.40 C ATOM 1313 CD1 LEU A 81 -5.720 -6.240 -15.528 1.00 11.44 C ATOM 1314 CD2 LEU A 81 -5.952 -4.627 -17.479 1.00 33.33 C ATOM 0 H LEU A 81 -1.647 -3.544 -15.250 1.00 25.33 H new ATOM 0 HA LEU A 81 -2.470 -4.828 -17.736 1.00 52.51 H new ATOM 0 HB2 LEU A 81 -3.304 -5.200 -15.267 1.00 3.32 H new ATOM 0 HB3 LEU A 81 -4.250 -3.747 -15.526 1.00 3.32 H new ATOM 0 HG LEU A 81 -4.500 -6.187 -17.315 1.00 44.40 H new ATOM 0 HD11 LEU A 81 -6.520 -6.831 -15.974 1.00 11.44 H new ATOM 0 HD12 LEU A 81 -5.026 -6.902 -15.009 1.00 11.44 H new ATOM 0 HD13 LEU A 81 -6.145 -5.531 -14.818 1.00 11.44 H new ATOM 0 HD21 LEU A 81 -6.736 -5.273 -17.875 1.00 33.33 H new ATOM 0 HD22 LEU A 81 -6.399 -3.857 -16.851 1.00 33.33 H new ATOM 0 HD23 LEU A 81 -5.418 -4.157 -18.305 1.00 33.33 H new ATOM 1326 N LEU A 82 -3.123 -1.624 -17.105 1.00 71.21 N ATOM 1327 CA LEU A 82 -3.685 -0.377 -17.657 1.00 52.43 C ATOM 1328 C LEU A 82 -2.824 0.105 -18.827 1.00 53.42 C ATOM 1329 O LEU A 82 -3.267 0.082 -19.988 1.00 63.13 O ATOM 1330 CB LEU A 82 -3.784 0.730 -16.556 1.00 12.30 C ATOM 1331 CG LEU A 82 -4.786 0.468 -15.386 1.00 13.55 C ATOM 1332 CD1 LEU A 82 -4.677 1.565 -14.305 1.00 1.13 C ATOM 1333 CD2 LEU A 82 -6.238 0.332 -15.901 1.00 22.23 C ATOM 0 H LEU A 82 -2.701 -1.514 -16.183 1.00 71.21 H new ATOM 0 HA LEU A 82 -4.694 -0.580 -18.016 1.00 52.43 H new ATOM 0 HB2 LEU A 82 -2.792 0.874 -16.128 1.00 12.30 H new ATOM 0 HB3 LEU A 82 -4.062 1.667 -17.039 1.00 12.30 H new ATOM 0 HG LEU A 82 -4.513 -0.482 -14.927 1.00 13.55 H new ATOM 0 HD11 LEU A 82 -5.385 1.357 -13.503 1.00 1.13 H new ATOM 0 HD12 LEU A 82 -3.665 1.578 -13.901 1.00 1.13 H new ATOM 0 HD13 LEU A 82 -4.904 2.535 -14.747 1.00 1.13 H new ATOM 0 HD21 LEU A 82 -6.907 0.150 -15.060 1.00 22.23 H new ATOM 0 HD22 LEU A 82 -6.532 1.252 -16.407 1.00 22.23 H new ATOM 0 HD23 LEU A 82 -6.300 -0.502 -16.600 1.00 22.23 H new ATOM 1345 N GLN A 83 -1.567 0.486 -18.521 1.00 74.31 N ATOM 1346 CA GLN A 83 -0.603 0.961 -19.528 1.00 53.51 C ATOM 1347 C GLN A 83 0.710 0.187 -19.349 1.00 2.33 C ATOM 1348 O GLN A 83 0.989 -0.740 -20.115 1.00 53.14 O ATOM 1349 CB GLN A 83 -0.381 2.503 -19.419 1.00 62.45 C ATOM 1350 CG GLN A 83 -1.679 3.354 -19.377 1.00 25.31 C ATOM 1351 CD GLN A 83 -2.595 3.162 -20.593 1.00 25.33 C ATOM 1352 OE1 GLN A 83 -2.141 2.903 -21.707 1.00 43.40 O ATOM 1353 NE2 GLN A 83 -3.896 3.261 -20.389 1.00 32.13 N ATOM 0 H GLN A 83 -1.195 0.472 -17.571 1.00 74.31 H new ATOM 0 HA GLN A 83 -0.997 0.777 -20.527 1.00 53.51 H new ATOM 0 HB2 GLN A 83 0.199 2.708 -18.519 1.00 62.45 H new ATOM 0 HB3 GLN A 83 0.221 2.829 -20.267 1.00 62.45 H new ATOM 0 HG2 GLN A 83 -2.235 3.104 -18.474 1.00 25.31 H new ATOM 0 HG3 GLN A 83 -1.408 4.407 -19.303 1.00 25.31 H new ATOM 0 HE21 GLN A 83 -4.251 3.477 -19.457 1.00 32.13 H new ATOM 0 HE22 GLN A 83 -4.546 3.122 -21.163 1.00 32.13 H new ATOM 1362 N GLN A 84 1.460 0.537 -18.281 1.00 75.21 N ATOM 1363 CA GLN A 84 2.782 -0.044 -17.960 1.00 0.45 C ATOM 1364 C GLN A 84 3.374 0.698 -16.748 1.00 31.12 C ATOM 1365 O GLN A 84 3.822 1.831 -16.907 1.00 2.51 O ATOM 1366 CB GLN A 84 3.783 0.023 -19.168 1.00 11.41 C ATOM 1367 CG GLN A 84 5.168 -0.613 -18.899 1.00 55.22 C ATOM 1368 CD GLN A 84 5.074 -2.075 -18.453 1.00 31.42 C ATOM 1369 OE1 GLN A 84 4.980 -2.300 -17.153 1.00 20.43 O flip ATOM 1370 NE2 GLN A 84 5.077 -2.992 -19.271 1.00 35.34 N flip ATOM 0 H GLN A 84 1.159 1.242 -17.608 1.00 75.21 H new ATOM 0 HA GLN A 84 2.634 -1.099 -17.731 1.00 0.45 H new ATOM 0 HB2 GLN A 84 3.330 -0.476 -20.025 1.00 11.41 H new ATOM 0 HB3 GLN A 84 3.926 1.067 -19.446 1.00 11.41 H new ATOM 0 HG2 GLN A 84 5.772 -0.552 -19.804 1.00 55.22 H new ATOM 0 HG3 GLN A 84 5.684 -0.036 -18.132 1.00 55.22 H new ATOM 0 HE21 GLN A 84 5.151 -2.786 -20.267 1.00 35.34 H new ATOM 0 HE22 GLN A 84 5.006 -3.959 -18.954 1.00 35.34 H new ATOM 1379 N ARG A 85 3.361 0.022 -15.566 1.00 32.33 N ATOM 1380 CA ARG A 85 3.869 0.512 -14.243 1.00 24.04 C ATOM 1381 C ARG A 85 3.680 2.042 -13.995 1.00 54.12 C ATOM 1382 O ARG A 85 2.780 2.424 -13.275 1.00 31.15 O ATOM 1383 CB ARG A 85 5.320 0.021 -13.922 1.00 12.50 C ATOM 1384 CG ARG A 85 6.410 0.372 -14.956 1.00 14.03 C ATOM 1385 CD ARG A 85 7.821 -0.032 -14.497 1.00 11.01 C ATOM 1386 NE ARG A 85 7.959 -1.488 -14.301 1.00 14.42 N ATOM 1387 CZ ARG A 85 9.065 -2.211 -14.550 1.00 61.00 C ATOM 1388 NH1 ARG A 85 10.178 -1.640 -15.018 1.00 34.01 N ATOM 1389 NH2 ARG A 85 9.044 -3.517 -14.313 1.00 22.32 N ATOM 0 H ARG A 85 2.980 -0.922 -15.501 1.00 32.33 H new ATOM 0 HA ARG A 85 3.213 0.035 -13.515 1.00 24.04 H new ATOM 0 HB2 ARG A 85 5.616 0.438 -12.959 1.00 12.50 H new ATOM 0 HB3 ARG A 85 5.296 -1.063 -13.806 1.00 12.50 H new ATOM 0 HG2 ARG A 85 6.183 -0.126 -15.899 1.00 14.03 H new ATOM 0 HG3 ARG A 85 6.389 1.445 -15.149 1.00 14.03 H new ATOM 0 HD2 ARG A 85 8.549 0.302 -15.236 1.00 11.01 H new ATOM 0 HD3 ARG A 85 8.056 0.480 -13.564 1.00 11.01 H new ATOM 0 HE ARG A 85 7.145 -1.989 -13.946 1.00 14.42 H new ATOM 0 HH11 ARG A 85 10.201 -0.636 -15.194 1.00 34.01 H new ATOM 0 HH12 ARG A 85 11.005 -2.208 -15.200 1.00 34.01 H new ATOM 0 HH21 ARG A 85 8.198 -3.956 -13.948 1.00 22.32 H new ATOM 0 HH22 ARG A 85 9.873 -4.082 -14.496 1.00 22.32 H new ATOM 1403 N LEU A 86 4.518 2.915 -14.600 1.00 11.33 N ATOM 1404 CA LEU A 86 4.371 4.381 -14.500 1.00 63.25 C ATOM 1405 C LEU A 86 3.171 4.838 -15.360 1.00 63.30 C ATOM 1406 O LEU A 86 3.307 4.904 -16.587 1.00 61.43 O ATOM 1407 CB LEU A 86 5.676 5.072 -15.016 1.00 11.13 C ATOM 1408 CG LEU A 86 7.021 4.634 -14.344 1.00 63.04 C ATOM 1409 CD1 LEU A 86 8.244 5.297 -15.026 1.00 73.02 C ATOM 1410 CD2 LEU A 86 7.014 4.934 -12.843 1.00 24.34 C ATOM 0 H LEU A 86 5.312 2.622 -15.169 1.00 11.33 H new ATOM 0 HA LEU A 86 4.199 4.659 -13.460 1.00 63.25 H new ATOM 0 HB2 LEU A 86 5.756 4.889 -16.087 1.00 11.13 H new ATOM 0 HB3 LEU A 86 5.565 6.148 -14.884 1.00 11.13 H new ATOM 0 HG LEU A 86 7.109 3.556 -14.477 1.00 63.04 H new ATOM 0 HD11 LEU A 86 9.158 4.969 -14.532 1.00 73.02 H new ATOM 0 HD12 LEU A 86 8.276 5.008 -16.077 1.00 73.02 H new ATOM 0 HD13 LEU A 86 8.160 6.381 -14.950 1.00 73.02 H new ATOM 0 HD21 LEU A 86 7.961 4.619 -12.405 1.00 24.34 H new ATOM 0 HD22 LEU A 86 6.880 6.004 -12.687 1.00 24.34 H new ATOM 0 HD23 LEU A 86 6.196 4.393 -12.368 1.00 24.34 H new ATOM 1422 N ASP A 87 2.006 5.120 -14.733 1.00 51.33 N ATOM 1423 CA ASP A 87 0.766 5.438 -15.488 1.00 5.31 C ATOM 1424 C ASP A 87 -0.372 5.966 -14.564 1.00 41.33 C ATOM 1425 O ASP A 87 -0.099 6.580 -13.527 1.00 1.03 O ATOM 1426 CB ASP A 87 0.310 4.163 -16.286 1.00 35.22 C ATOM 1427 CG ASP A 87 -0.184 2.976 -15.420 1.00 14.45 C ATOM 1428 OD1 ASP A 87 -0.793 2.052 -15.988 1.00 32.14 O ATOM 1429 OD2 ASP A 87 0.020 2.973 -14.183 1.00 20.25 O ATOM 0 H ASP A 87 1.896 5.135 -13.719 1.00 51.33 H new ATOM 0 HA ASP A 87 0.985 6.246 -16.186 1.00 5.31 H new ATOM 0 HB2 ASP A 87 -0.490 4.450 -16.969 1.00 35.22 H new ATOM 0 HB3 ASP A 87 1.144 3.821 -16.898 1.00 35.22 H new ATOM 1434 N GLU A 88 -1.638 5.715 -14.989 1.00 55.23 N ATOM 1435 CA GLU A 88 -2.888 6.074 -14.280 1.00 73.10 C ATOM 1436 C GLU A 88 -2.918 5.648 -12.794 1.00 31.34 C ATOM 1437 O GLU A 88 -2.183 4.750 -12.372 1.00 53.55 O ATOM 1438 CB GLU A 88 -4.080 5.405 -15.008 1.00 1.42 C ATOM 1439 CG GLU A 88 -4.265 5.820 -16.477 1.00 62.53 C ATOM 1440 CD GLU A 88 -5.401 5.042 -17.150 1.00 23.21 C ATOM 1441 OE1 GLU A 88 -5.146 3.938 -17.674 1.00 13.44 O ATOM 1442 OE2 GLU A 88 -6.554 5.522 -17.151 1.00 3.35 O ATOM 0 H GLU A 88 -1.820 5.237 -15.872 1.00 55.23 H new ATOM 0 HA GLU A 88 -2.951 7.162 -14.294 1.00 73.10 H new ATOM 0 HB2 GLU A 88 -3.950 4.324 -14.966 1.00 1.42 H new ATOM 0 HB3 GLU A 88 -4.995 5.638 -14.463 1.00 1.42 H new ATOM 0 HG2 GLU A 88 -4.476 6.888 -16.529 1.00 62.53 H new ATOM 0 HG3 GLU A 88 -3.336 5.651 -17.022 1.00 62.53 H new ATOM 1449 N LEU A 89 -3.834 6.299 -12.039 1.00 51.21 N ATOM 1450 CA LEU A 89 -4.016 6.122 -10.581 1.00 42.30 C ATOM 1451 C LEU A 89 -2.759 6.578 -9.814 1.00 63.23 C ATOM 1452 O LEU A 89 -2.476 6.097 -8.709 1.00 34.04 O ATOM 1453 CB LEU A 89 -4.417 4.655 -10.233 1.00 64.30 C ATOM 1454 CG LEU A 89 -5.693 4.098 -10.949 1.00 64.55 C ATOM 1455 CD1 LEU A 89 -5.893 2.597 -10.639 1.00 70.34 C ATOM 1456 CD2 LEU A 89 -6.950 4.927 -10.594 1.00 21.13 C ATOM 0 H LEU A 89 -4.482 6.978 -12.438 1.00 51.21 H new ATOM 0 HA LEU A 89 -4.841 6.758 -10.261 1.00 42.30 H new ATOM 0 HB2 LEU A 89 -3.577 4.004 -10.475 1.00 64.30 H new ATOM 0 HB3 LEU A 89 -4.572 4.589 -9.156 1.00 64.30 H new ATOM 0 HG LEU A 89 -5.539 4.194 -12.024 1.00 64.55 H new ATOM 0 HD11 LEU A 89 -6.786 2.236 -11.149 1.00 70.34 H new ATOM 0 HD12 LEU A 89 -5.025 2.035 -10.985 1.00 70.34 H new ATOM 0 HD13 LEU A 89 -6.009 2.460 -9.564 1.00 70.34 H new ATOM 0 HD21 LEU A 89 -7.817 4.512 -11.109 1.00 21.13 H new ATOM 0 HD22 LEU A 89 -7.116 4.893 -9.517 1.00 21.13 H new ATOM 0 HD23 LEU A 89 -6.804 5.961 -10.906 1.00 21.13 H new ATOM 1468 N SER A 90 -1.988 7.493 -10.438 1.00 61.30 N ATOM 1469 CA SER A 90 -0.808 8.108 -9.822 1.00 52.32 C ATOM 1470 C SER A 90 -1.245 9.423 -9.179 1.00 42.24 C ATOM 1471 O SER A 90 -1.717 9.393 -8.050 1.00 35.23 O ATOM 1472 CB SER A 90 0.345 8.292 -10.849 1.00 31.12 C ATOM 1473 OG SER A 90 1.488 8.914 -10.269 1.00 22.31 O ATOM 0 H SER A 90 -2.172 7.823 -11.386 1.00 61.30 H new ATOM 0 HA SER A 90 -0.400 7.454 -9.051 1.00 52.32 H new ATOM 0 HB2 SER A 90 0.628 7.320 -11.253 1.00 31.12 H new ATOM 0 HB3 SER A 90 -0.009 8.894 -11.686 1.00 31.12 H new ATOM 0 HG SER A 90 2.189 9.009 -10.948 1.00 22.31 H new ATOM 1479 N SER A 91 -1.139 10.561 -9.920 1.00 34.54 N ATOM 1480 CA SER A 91 -1.429 11.932 -9.420 1.00 0.34 C ATOM 1481 C SER A 91 -0.847 12.220 -8.000 1.00 32.33 C ATOM 1482 O SER A 91 -1.327 13.111 -7.285 1.00 64.43 O ATOM 1483 CB SER A 91 -2.958 12.244 -9.526 1.00 51.33 C ATOM 1484 OG SER A 91 -3.774 11.263 -8.903 1.00 4.51 O ATOM 0 H SER A 91 -0.845 10.549 -10.897 1.00 34.54 H new ATOM 0 HA SER A 91 -0.900 12.626 -10.073 1.00 0.34 H new ATOM 0 HB2 SER A 91 -3.156 13.214 -9.071 1.00 51.33 H new ATOM 0 HB3 SER A 91 -3.234 12.322 -10.578 1.00 51.33 H new ATOM 0 HG SER A 91 -4.713 11.423 -9.134 1.00 4.51 H new ATOM 1490 N LEU A 92 0.231 11.484 -7.635 1.00 31.13 N ATOM 1491 CA LEU A 92 0.926 11.641 -6.350 1.00 34.30 C ATOM 1492 C LEU A 92 2.016 12.698 -6.530 1.00 21.22 C ATOM 1493 O LEU A 92 1.884 13.836 -6.076 1.00 60.12 O ATOM 1494 CB LEU A 92 1.536 10.281 -5.875 1.00 70.33 C ATOM 1495 CG LEU A 92 0.536 9.098 -5.691 1.00 24.14 C ATOM 1496 CD1 LEU A 92 1.255 7.825 -5.193 1.00 41.24 C ATOM 1497 CD2 LEU A 92 -0.625 9.492 -4.756 1.00 71.32 C ATOM 0 H LEU A 92 0.638 10.764 -8.232 1.00 31.13 H new ATOM 0 HA LEU A 92 0.222 11.959 -5.581 1.00 34.30 H new ATOM 0 HB2 LEU A 92 2.295 9.977 -6.595 1.00 70.33 H new ATOM 0 HB3 LEU A 92 2.046 10.448 -4.926 1.00 70.33 H new ATOM 0 HG LEU A 92 0.110 8.869 -6.668 1.00 24.14 H new ATOM 0 HD11 LEU A 92 0.530 7.020 -5.075 1.00 41.24 H new ATOM 0 HD12 LEU A 92 2.013 7.528 -5.918 1.00 41.24 H new ATOM 0 HD13 LEU A 92 1.731 8.028 -4.234 1.00 41.24 H new ATOM 0 HD21 LEU A 92 -1.306 8.648 -4.646 1.00 71.32 H new ATOM 0 HD22 LEU A 92 -0.228 9.767 -3.779 1.00 71.32 H new ATOM 0 HD23 LEU A 92 -1.163 10.339 -5.181 1.00 71.32 H new ATOM 1509 N ILE A 93 3.077 12.301 -7.250 1.00 5.43 N ATOM 1510 CA ILE A 93 4.216 13.160 -7.598 1.00 24.11 C ATOM 1511 C ILE A 93 4.425 13.059 -9.120 1.00 63.13 C ATOM 1512 O ILE A 93 4.353 11.951 -9.674 1.00 73.41 O ATOM 1513 CB ILE A 93 5.532 12.737 -6.816 1.00 23.45 C ATOM 1514 CG1 ILE A 93 5.265 12.658 -5.274 1.00 71.40 C ATOM 1515 CG2 ILE A 93 6.694 13.718 -7.114 1.00 33.32 C ATOM 1516 CD1 ILE A 93 6.457 12.248 -4.418 1.00 63.20 C ATOM 0 H ILE A 93 3.167 11.352 -7.614 1.00 5.43 H new ATOM 0 HA ILE A 93 4.004 14.189 -7.307 1.00 24.11 H new ATOM 0 HB ILE A 93 5.823 11.746 -7.165 1.00 23.45 H new ATOM 0 HG12 ILE A 93 4.915 13.633 -4.934 1.00 71.40 H new ATOM 0 HG13 ILE A 93 4.455 11.950 -5.100 1.00 71.40 H new ATOM 0 HG21 ILE A 93 7.583 13.406 -6.566 1.00 33.32 H new ATOM 0 HG22 ILE A 93 6.907 13.716 -8.183 1.00 33.32 H new ATOM 0 HG23 ILE A 93 6.410 14.723 -6.803 1.00 33.32 H new ATOM 0 HD11 ILE A 93 6.161 12.226 -3.369 1.00 63.20 H new ATOM 0 HD12 ILE A 93 6.798 11.258 -4.720 1.00 63.20 H new ATOM 0 HD13 ILE A 93 7.265 12.967 -4.552 1.00 63.20 H new ATOM 1528 N GLY A 94 4.696 14.215 -9.768 1.00 2.03 N ATOM 1529 CA GLY A 94 4.748 14.331 -11.235 1.00 24.32 C ATOM 1530 C GLY A 94 5.843 13.497 -11.894 1.00 1.03 C ATOM 1531 O GLY A 94 5.666 13.011 -13.013 1.00 64.14 O ATOM 0 H GLY A 94 4.884 15.092 -9.283 1.00 2.03 H new ATOM 0 HA2 GLY A 94 3.784 14.032 -11.646 1.00 24.32 H new ATOM 0 HA3 GLY A 94 4.896 15.378 -11.500 1.00 24.32 H new ATOM 1535 N GLN A 95 6.962 13.295 -11.165 1.00 74.45 N ATOM 1536 CA GLN A 95 8.110 12.480 -11.640 1.00 74.14 C ATOM 1537 C GLN A 95 7.802 10.966 -11.629 1.00 4.42 C ATOM 1538 O GLN A 95 8.664 10.158 -11.992 1.00 32.13 O ATOM 1539 CB GLN A 95 9.382 12.788 -10.804 1.00 62.14 C ATOM 1540 CG GLN A 95 9.283 12.413 -9.313 1.00 40.22 C ATOM 1541 CD GLN A 95 10.532 12.767 -8.492 1.00 32.13 C ATOM 1542 OE1 GLN A 95 11.652 12.779 -9.006 1.00 32.43 O ATOM 1543 NE2 GLN A 95 10.354 13.038 -7.204 1.00 71.33 N ATOM 0 H GLN A 95 7.098 13.689 -10.234 1.00 74.45 H new ATOM 0 HA GLN A 95 8.293 12.760 -12.677 1.00 74.14 H new ATOM 0 HB2 GLN A 95 10.226 12.255 -11.243 1.00 62.14 H new ATOM 0 HB3 GLN A 95 9.602 13.853 -10.882 1.00 62.14 H new ATOM 0 HG2 GLN A 95 8.421 12.919 -8.879 1.00 40.22 H new ATOM 0 HG3 GLN A 95 9.099 11.342 -9.230 1.00 40.22 H new ATOM 0 HE21 GLN A 95 9.416 13.021 -6.804 1.00 71.33 H new ATOM 0 HE22 GLN A 95 11.156 13.263 -6.615 1.00 71.33 H new ATOM 1552 N SER A 96 6.566 10.609 -11.194 1.00 24.32 N ATOM 1553 CA SER A 96 6.003 9.246 -11.269 1.00 12.05 C ATOM 1554 C SER A 96 6.765 8.256 -10.364 1.00 53.22 C ATOM 1555 O SER A 96 6.761 7.046 -10.607 1.00 75.13 O ATOM 1556 CB SER A 96 5.956 8.772 -12.747 1.00 73.24 C ATOM 1557 OG SER A 96 5.250 9.707 -13.550 1.00 5.25 O ATOM 0 H SER A 96 5.923 11.280 -10.773 1.00 24.32 H new ATOM 0 HA SER A 96 4.982 9.275 -10.889 1.00 12.05 H new ATOM 0 HB2 SER A 96 6.970 8.650 -13.128 1.00 73.24 H new ATOM 0 HB3 SER A 96 5.474 7.796 -12.806 1.00 73.24 H new ATOM 0 HG SER A 96 5.232 9.393 -14.478 1.00 5.25 H new ATOM 1563 N THR A 97 7.320 8.770 -9.250 1.00 11.23 N ATOM 1564 CA THR A 97 8.153 7.985 -8.310 1.00 1.42 C ATOM 1565 C THR A 97 7.319 7.018 -7.425 1.00 3.12 C ATOM 1566 O THR A 97 7.841 6.484 -6.459 1.00 12.43 O ATOM 1567 CB THR A 97 9.012 8.951 -7.411 1.00 11.41 C ATOM 1568 OG1 THR A 97 9.974 8.218 -6.629 1.00 72.24 O ATOM 1569 CG2 THR A 97 8.145 9.810 -6.474 1.00 2.44 C ATOM 0 H THR A 97 7.205 9.745 -8.973 1.00 11.23 H new ATOM 0 HA THR A 97 8.814 7.363 -8.914 1.00 1.42 H new ATOM 0 HB THR A 97 9.533 9.618 -8.098 1.00 11.41 H new ATOM 0 HG1 THR A 97 9.535 7.452 -6.205 1.00 72.24 H new ATOM 0 HG21 THR A 97 8.787 10.458 -5.877 1.00 2.44 H new ATOM 0 HG22 THR A 97 7.464 10.421 -7.067 1.00 2.44 H new ATOM 0 HG23 THR A 97 7.570 9.161 -5.814 1.00 2.44 H new ATOM 1577 N ARG A 98 6.041 6.779 -7.786 1.00 12.24 N ATOM 1578 CA ARG A 98 5.126 5.874 -7.063 1.00 1.23 C ATOM 1579 C ARG A 98 5.742 4.467 -6.881 1.00 63.24 C ATOM 1580 O ARG A 98 5.883 3.987 -5.743 1.00 42.14 O ATOM 1581 CB ARG A 98 3.793 5.793 -7.846 1.00 21.04 C ATOM 1582 CG ARG A 98 2.700 4.915 -7.195 1.00 25.23 C ATOM 1583 CD ARG A 98 1.436 4.845 -8.065 1.00 54.43 C ATOM 1584 NE ARG A 98 1.721 4.246 -9.379 1.00 20.35 N ATOM 1585 CZ ARG A 98 0.943 4.336 -10.468 1.00 34.34 C ATOM 1586 NH1 ARG A 98 -0.190 5.011 -10.441 1.00 24.54 N ATOM 1587 NH2 ARG A 98 1.294 3.724 -11.577 1.00 34.12 N ATOM 0 H ARG A 98 5.610 7.216 -8.601 1.00 12.24 H new ATOM 0 HA ARG A 98 4.947 6.271 -6.064 1.00 1.23 H new ATOM 0 HB2 ARG A 98 3.400 6.802 -7.969 1.00 21.04 H new ATOM 0 HB3 ARG A 98 3.999 5.408 -8.844 1.00 21.04 H new ATOM 0 HG2 ARG A 98 3.088 3.909 -7.035 1.00 25.23 H new ATOM 0 HG3 ARG A 98 2.445 5.318 -6.215 1.00 25.23 H new ATOM 0 HD2 ARG A 98 0.673 4.258 -7.554 1.00 54.43 H new ATOM 0 HD3 ARG A 98 1.030 5.847 -8.201 1.00 54.43 H new ATOM 0 HE ARG A 98 2.587 3.715 -9.470 1.00 20.35 H new ATOM 0 HH11 ARG A 98 -0.487 5.475 -9.583 1.00 24.54 H new ATOM 0 HH12 ARG A 98 -0.769 5.069 -11.279 1.00 24.54 H new ATOM 0 HH21 ARG A 98 2.157 3.181 -11.609 1.00 34.12 H new ATOM 0 HH22 ARG A 98 0.703 3.792 -12.406 1.00 34.12 H new ATOM 1601 N GLN A 99 6.190 3.865 -8.006 1.00 33.20 N ATOM 1602 CA GLN A 99 6.742 2.493 -8.019 1.00 1.25 C ATOM 1603 C GLN A 99 8.000 2.434 -7.137 1.00 1.44 C ATOM 1604 O GLN A 99 8.143 1.564 -6.279 1.00 70.13 O ATOM 1605 CB GLN A 99 7.117 2.060 -9.469 1.00 51.34 C ATOM 1606 CG GLN A 99 6.106 2.455 -10.557 1.00 1.32 C ATOM 1607 CD GLN A 99 4.685 1.946 -10.344 1.00 31.31 C ATOM 1608 OE1 GLN A 99 3.736 2.630 -10.691 1.00 63.24 O ATOM 1609 NE2 GLN A 99 4.523 0.739 -9.833 1.00 4.32 N ATOM 0 H GLN A 99 6.179 4.313 -8.922 1.00 33.20 H new ATOM 0 HA GLN A 99 5.981 1.814 -7.633 1.00 1.25 H new ATOM 0 HB2 GLN A 99 8.084 2.494 -9.721 1.00 51.34 H new ATOM 0 HB3 GLN A 99 7.239 0.977 -9.486 1.00 51.34 H new ATOM 0 HG2 GLN A 99 6.078 3.542 -10.626 1.00 1.32 H new ATOM 0 HG3 GLN A 99 6.467 2.084 -11.516 1.00 1.32 H new ATOM 0 HE21 GLN A 99 5.336 0.191 -9.552 1.00 4.32 H new ATOM 0 HE22 GLN A 99 3.585 0.355 -9.719 1.00 4.32 H new ATOM 1618 N LYS A 100 8.865 3.440 -7.358 1.00 61.34 N ATOM 1619 CA LYS A 100 10.155 3.603 -6.679 1.00 41.44 C ATOM 1620 C LYS A 100 9.980 3.796 -5.161 1.00 0.34 C ATOM 1621 O LYS A 100 10.725 3.214 -4.378 1.00 43.23 O ATOM 1622 CB LYS A 100 10.875 4.828 -7.292 1.00 43.12 C ATOM 1623 CG LYS A 100 12.256 5.161 -6.677 1.00 30.30 C ATOM 1624 CD LYS A 100 12.919 6.397 -7.335 1.00 44.33 C ATOM 1625 CE LYS A 100 13.098 6.229 -8.854 1.00 5.11 C ATOM 1626 NZ LYS A 100 13.760 7.404 -9.479 1.00 5.32 N ATOM 0 H LYS A 100 8.677 4.181 -8.034 1.00 61.34 H new ATOM 0 HA LYS A 100 10.747 2.699 -6.821 1.00 41.44 H new ATOM 0 HB2 LYS A 100 11.004 4.656 -8.361 1.00 43.12 H new ATOM 0 HB3 LYS A 100 10.229 5.699 -7.185 1.00 43.12 H new ATOM 0 HG2 LYS A 100 12.140 5.342 -5.608 1.00 30.30 H new ATOM 0 HG3 LYS A 100 12.915 4.299 -6.785 1.00 30.30 H new ATOM 0 HD2 LYS A 100 12.310 7.280 -7.139 1.00 44.33 H new ATOM 0 HD3 LYS A 100 13.891 6.572 -6.875 1.00 44.33 H new ATOM 0 HE2 LYS A 100 13.689 5.335 -9.051 1.00 5.11 H new ATOM 0 HE3 LYS A 100 12.123 6.075 -9.317 1.00 5.11 H new ATOM 0 HZ1 LYS A 100 13.858 7.244 -10.502 1.00 5.32 H new ATOM 0 HZ2 LYS A 100 13.184 8.255 -9.316 1.00 5.32 H new ATOM 0 HZ3 LYS A 100 14.701 7.537 -9.057 1.00 5.32 H new ATOM 1640 N SER A 101 8.960 4.582 -4.778 1.00 22.22 N ATOM 1641 CA SER A 101 8.734 5.010 -3.386 1.00 55.52 C ATOM 1642 C SER A 101 8.242 3.844 -2.529 1.00 13.15 C ATOM 1643 O SER A 101 8.711 3.640 -1.402 1.00 30.24 O ATOM 1644 CB SER A 101 7.712 6.174 -3.337 1.00 35.41 C ATOM 1645 OG SER A 101 7.499 6.641 -2.013 1.00 33.22 O ATOM 0 H SER A 101 8.263 4.941 -5.430 1.00 22.22 H new ATOM 0 HA SER A 101 9.685 5.357 -2.982 1.00 55.52 H new ATOM 0 HB2 SER A 101 8.069 6.996 -3.958 1.00 35.41 H new ATOM 0 HB3 SER A 101 6.764 5.842 -3.761 1.00 35.41 H new ATOM 0 HG SER A 101 6.604 7.035 -1.945 1.00 33.22 H new ATOM 1651 N LEU A 102 7.291 3.082 -3.089 1.00 3.44 N ATOM 1652 CA LEU A 102 6.685 1.917 -2.418 1.00 3.23 C ATOM 1653 C LEU A 102 7.688 0.742 -2.352 1.00 23.43 C ATOM 1654 O LEU A 102 7.750 0.017 -1.345 1.00 23.34 O ATOM 1655 CB LEU A 102 5.374 1.514 -3.153 1.00 31.12 C ATOM 1656 CG LEU A 102 4.080 2.337 -2.820 1.00 44.33 C ATOM 1657 CD1 LEU A 102 4.277 3.857 -3.008 1.00 51.14 C ATOM 1658 CD2 LEU A 102 2.879 1.820 -3.653 1.00 14.15 C ATOM 0 H LEU A 102 6.918 3.255 -4.022 1.00 3.44 H new ATOM 0 HA LEU A 102 6.433 2.183 -1.391 1.00 3.23 H new ATOM 0 HB2 LEU A 102 5.553 1.586 -4.226 1.00 31.12 H new ATOM 0 HB3 LEU A 102 5.173 0.466 -2.933 1.00 31.12 H new ATOM 0 HG LEU A 102 3.865 2.184 -1.763 1.00 44.33 H new ATOM 0 HD11 LEU A 102 3.351 4.377 -2.764 1.00 51.14 H new ATOM 0 HD12 LEU A 102 5.073 4.205 -2.349 1.00 51.14 H new ATOM 0 HD13 LEU A 102 4.547 4.064 -4.044 1.00 51.14 H new ATOM 0 HD21 LEU A 102 1.990 2.402 -3.410 1.00 14.15 H new ATOM 0 HD22 LEU A 102 3.101 1.924 -4.715 1.00 14.15 H new ATOM 0 HD23 LEU A 102 2.700 0.770 -3.421 1.00 14.15 H new ATOM 1670 N ASN A 103 8.479 0.587 -3.433 1.00 74.44 N ATOM 1671 CA ASN A 103 9.552 -0.429 -3.516 1.00 74.52 C ATOM 1672 C ASN A 103 10.705 -0.079 -2.548 1.00 21.24 C ATOM 1673 O ASN A 103 11.358 -0.971 -2.008 1.00 74.25 O ATOM 1674 CB ASN A 103 10.071 -0.532 -4.976 1.00 70.34 C ATOM 1675 CG ASN A 103 11.115 -1.635 -5.187 1.00 2.44 C ATOM 1676 OD1 ASN A 103 10.771 -2.793 -5.429 1.00 4.03 O ATOM 1677 ND2 ASN A 103 12.389 -1.285 -5.111 1.00 14.05 N ATOM 0 H ASN A 103 8.394 1.160 -4.272 1.00 74.44 H new ATOM 0 HA ASN A 103 9.146 -1.397 -3.221 1.00 74.52 H new ATOM 0 HB2 ASN A 103 9.226 -0.713 -5.640 1.00 70.34 H new ATOM 0 HB3 ASN A 103 10.504 0.425 -5.266 1.00 70.34 H new ATOM 0 HD21 ASN A 103 13.119 -1.983 -5.255 1.00 14.05 H new ATOM 0 HD22 ASN A 103 12.641 -0.317 -4.909 1.00 14.05 H new ATOM 1684 N ASN A 104 10.926 1.238 -2.334 1.00 2.43 N ATOM 1685 CA ASN A 104 11.944 1.756 -1.389 1.00 33.30 C ATOM 1686 C ASN A 104 11.461 1.570 0.059 1.00 51.42 C ATOM 1687 O ASN A 104 12.259 1.290 0.950 1.00 4.44 O ATOM 1688 CB ASN A 104 12.239 3.262 -1.660 1.00 33.04 C ATOM 1689 CG ASN A 104 13.325 3.866 -0.752 1.00 44.44 C ATOM 1690 OD1 ASN A 104 14.300 3.207 -0.389 1.00 51.12 O ATOM 1691 ND2 ASN A 104 13.162 5.119 -0.367 1.00 52.52 N ATOM 0 H ASN A 104 10.404 1.973 -2.811 1.00 2.43 H new ATOM 0 HA ASN A 104 12.865 1.193 -1.537 1.00 33.30 H new ATOM 0 HB2 ASN A 104 12.544 3.379 -2.700 1.00 33.04 H new ATOM 0 HB3 ASN A 104 11.317 3.830 -1.532 1.00 33.04 H new ATOM 0 HD21 ASN A 104 13.851 5.559 0.243 1.00 52.52 H new ATOM 0 HD22 ASN A 104 12.347 5.647 -0.680 1.00 52.52 H new ATOM 1698 N ALA A 105 10.140 1.734 0.271 1.00 50.53 N ATOM 1699 CA ALA A 105 9.506 1.537 1.588 1.00 25.34 C ATOM 1700 C ALA A 105 9.701 0.088 2.057 1.00 52.21 C ATOM 1701 O ALA A 105 10.177 -0.151 3.181 1.00 40.20 O ATOM 1702 CB ALA A 105 8.012 1.895 1.533 1.00 53.03 C ATOM 0 H ALA A 105 9.486 2.006 -0.463 1.00 50.53 H new ATOM 0 HA ALA A 105 9.984 2.202 2.307 1.00 25.34 H new ATOM 0 HB1 ALA A 105 7.565 1.742 2.515 1.00 53.03 H new ATOM 0 HB2 ALA A 105 7.899 2.939 1.241 1.00 53.03 H new ATOM 0 HB3 ALA A 105 7.512 1.258 0.804 1.00 53.03 H new ATOM 1708 N TYR A 106 9.380 -0.867 1.152 1.00 44.54 N ATOM 1709 CA TYR A 106 9.597 -2.298 1.408 1.00 22.31 C ATOM 1710 C TYR A 106 11.101 -2.569 1.557 1.00 41.31 C ATOM 1711 O TYR A 106 11.508 -3.203 2.518 1.00 44.20 O ATOM 1712 CB TYR A 106 9.005 -3.193 0.271 1.00 72.35 C ATOM 1713 CG TYR A 106 8.818 -4.691 0.659 1.00 72.14 C ATOM 1714 CD1 TYR A 106 9.889 -5.489 1.097 1.00 71.04 C ATOM 1715 CD2 TYR A 106 7.571 -5.308 0.598 1.00 14.42 C ATOM 1716 CE1 TYR A 106 9.720 -6.809 1.457 1.00 51.31 C ATOM 1717 CE2 TYR A 106 7.409 -6.630 0.957 1.00 61.34 C ATOM 1718 CZ TYR A 106 8.478 -7.373 1.385 1.00 14.03 C ATOM 1719 OH TYR A 106 8.294 -8.693 1.753 1.00 55.13 O ATOM 0 H TYR A 106 8.970 -0.665 0.240 1.00 44.54 H new ATOM 0 HA TYR A 106 9.077 -2.556 2.331 1.00 22.31 H new ATOM 0 HB2 TYR A 106 8.040 -2.785 -0.030 1.00 72.35 H new ATOM 0 HB3 TYR A 106 9.660 -3.135 -0.598 1.00 72.35 H new ATOM 0 HD1 TYR A 106 10.876 -5.054 1.153 1.00 71.04 H new ATOM 0 HD2 TYR A 106 6.715 -4.741 0.263 1.00 14.42 H new ATOM 0 HE1 TYR A 106 10.564 -7.393 1.794 1.00 51.31 H new ATOM 0 HE2 TYR A 106 6.431 -7.084 0.900 1.00 61.34 H new ATOM 0 HH TYR A 106 7.351 -8.935 1.643 1.00 55.13 H new ATOM 1729 N GLY A 107 11.900 -2.054 0.599 1.00 1.00 N ATOM 1730 CA GLY A 107 13.342 -2.329 0.513 1.00 35.41 C ATOM 1731 C GLY A 107 14.113 -1.960 1.772 1.00 22.21 C ATOM 1732 O GLY A 107 15.025 -2.685 2.190 1.00 35.42 O ATOM 0 H GLY A 107 11.558 -1.435 -0.136 1.00 1.00 H new ATOM 0 HA2 GLY A 107 13.489 -3.389 0.306 1.00 35.41 H new ATOM 0 HA3 GLY A 107 13.758 -1.779 -0.331 1.00 35.41 H new ATOM 1736 N ARG A 108 13.720 -0.838 2.387 1.00 61.24 N ATOM 1737 CA ARG A 108 14.300 -0.363 3.649 1.00 4.40 C ATOM 1738 C ARG A 108 13.777 -1.195 4.829 1.00 0.30 C ATOM 1739 O ARG A 108 14.556 -1.570 5.717 1.00 55.31 O ATOM 1740 CB ARG A 108 13.996 1.143 3.844 1.00 54.13 C ATOM 1741 CG ARG A 108 14.769 2.074 2.882 1.00 52.12 C ATOM 1742 CD ARG A 108 14.363 3.546 3.048 1.00 51.45 C ATOM 1743 NE ARG A 108 12.937 3.760 2.740 1.00 31.11 N ATOM 1744 CZ ARG A 108 12.158 4.708 3.288 1.00 51.53 C ATOM 1745 NH1 ARG A 108 12.645 5.562 4.191 1.00 22.30 N ATOM 1746 NH2 ARG A 108 10.884 4.789 2.930 1.00 75.03 N ATOM 0 H ARG A 108 12.987 -0.231 2.021 1.00 61.24 H new ATOM 0 HA ARG A 108 15.382 -0.487 3.609 1.00 4.40 H new ATOM 0 HB2 ARG A 108 12.927 1.307 3.710 1.00 54.13 H new ATOM 0 HB3 ARG A 108 14.235 1.421 4.871 1.00 54.13 H new ATOM 0 HG2 ARG A 108 15.839 1.972 3.062 1.00 52.12 H new ATOM 0 HG3 ARG A 108 14.587 1.763 1.853 1.00 52.12 H new ATOM 0 HD2 ARG A 108 14.566 3.866 4.070 1.00 51.45 H new ATOM 0 HD3 ARG A 108 14.973 4.167 2.393 1.00 51.45 H new ATOM 0 HE ARG A 108 12.507 3.138 2.055 1.00 31.11 H new ATOM 0 HH11 ARG A 108 13.623 5.501 4.475 1.00 22.30 H new ATOM 0 HH12 ARG A 108 12.039 6.275 4.597 1.00 22.30 H new ATOM 0 HH21 ARG A 108 10.504 4.136 2.245 1.00 75.03 H new ATOM 0 HH22 ARG A 108 10.284 5.505 3.340 1.00 75.03 H new ATOM 1760 N LEU A 109 12.450 -1.489 4.829 1.00 33.01 N ATOM 1761 CA LEU A 109 11.803 -2.336 5.871 1.00 21.35 C ATOM 1762 C LEU A 109 12.394 -3.760 5.867 1.00 61.24 C ATOM 1763 O LEU A 109 12.458 -4.431 6.902 1.00 21.24 O ATOM 1764 CB LEU A 109 10.264 -2.372 5.676 1.00 22.12 C ATOM 1765 CG LEU A 109 9.440 -3.067 6.812 1.00 70.42 C ATOM 1766 CD1 LEU A 109 9.663 -2.394 8.186 1.00 3.44 C ATOM 1767 CD2 LEU A 109 7.948 -3.101 6.459 1.00 72.13 C ATOM 0 H LEU A 109 11.804 -1.151 4.116 1.00 33.01 H new ATOM 0 HA LEU A 109 12.008 -1.891 6.844 1.00 21.35 H new ATOM 0 HB2 LEU A 109 9.908 -1.347 5.572 1.00 22.12 H new ATOM 0 HB3 LEU A 109 10.049 -2.881 4.736 1.00 22.12 H new ATOM 0 HG LEU A 109 9.802 -4.092 6.892 1.00 70.42 H new ATOM 0 HD11 LEU A 109 9.072 -2.909 8.944 1.00 3.44 H new ATOM 0 HD12 LEU A 109 10.719 -2.448 8.451 1.00 3.44 H new ATOM 0 HD13 LEU A 109 9.355 -1.350 8.134 1.00 3.44 H new ATOM 0 HD21 LEU A 109 7.395 -3.588 7.262 1.00 72.13 H new ATOM 0 HD22 LEU A 109 7.581 -2.083 6.332 1.00 72.13 H new ATOM 0 HD23 LEU A 109 7.806 -3.656 5.532 1.00 72.13 H new ATOM 1779 N SER A 110 12.861 -4.165 4.689 1.00 20.44 N ATOM 1780 CA SER A 110 13.496 -5.449 4.453 1.00 54.03 C ATOM 1781 C SER A 110 14.973 -5.367 4.846 1.00 0.44 C ATOM 1782 O SER A 110 15.518 -6.318 5.413 1.00 62.21 O ATOM 1783 CB SER A 110 13.351 -5.820 2.955 1.00 35.31 C ATOM 1784 OG SER A 110 13.919 -7.083 2.660 1.00 13.12 O ATOM 0 H SER A 110 12.804 -3.588 3.850 1.00 20.44 H new ATOM 0 HA SER A 110 13.017 -6.220 5.057 1.00 54.03 H new ATOM 0 HB2 SER A 110 12.295 -5.826 2.684 1.00 35.31 H new ATOM 0 HB3 SER A 110 13.832 -5.056 2.345 1.00 35.31 H new ATOM 0 HG SER A 110 13.805 -7.278 1.707 1.00 13.12 H new ATOM 1790 N GLY A 111 15.612 -4.210 4.545 1.00 13.34 N ATOM 1791 CA GLY A 111 17.049 -4.064 4.735 1.00 50.13 C ATOM 1792 C GLY A 111 17.449 -3.800 6.184 1.00 23.01 C ATOM 1793 O GLY A 111 18.123 -4.640 6.785 1.00 24.12 O ATOM 0 H GLY A 111 15.148 -3.381 4.174 1.00 13.34 H new ATOM 0 HA2 GLY A 111 17.547 -4.970 4.388 1.00 50.13 H new ATOM 0 HA3 GLY A 111 17.408 -3.245 4.112 1.00 50.13 H new ATOM 1797 N MET A 112 17.051 -2.642 6.772 1.00 61.33 N ATOM 1798 CA MET A 112 17.269 -2.401 8.221 1.00 61.30 C ATOM 1799 C MET A 112 15.974 -2.690 8.989 1.00 70.21 C ATOM 1800 O MET A 112 15.875 -3.708 9.688 1.00 30.41 O ATOM 1801 CB MET A 112 17.759 -0.941 8.531 1.00 62.24 C ATOM 1802 CG MET A 112 18.484 -0.212 7.388 1.00 53.32 C ATOM 1803 SD MET A 112 17.369 0.248 6.042 1.00 54.21 S ATOM 1804 CE MET A 112 16.125 1.171 6.938 1.00 22.12 C ATOM 0 H MET A 112 16.589 -1.878 6.279 1.00 61.33 H new ATOM 0 HA MET A 112 18.062 -3.076 8.545 1.00 61.30 H new ATOM 0 HB2 MET A 112 16.895 -0.345 8.824 1.00 62.24 H new ATOM 0 HB3 MET A 112 18.427 -0.979 9.391 1.00 62.24 H new ATOM 0 HG2 MET A 112 18.964 0.685 7.780 1.00 53.32 H new ATOM 0 HG3 MET A 112 19.275 -0.852 6.997 1.00 53.32 H new ATOM 0 HE1 MET A 112 15.826 2.041 6.353 1.00 22.12 H new ATOM 0 HE2 MET A 112 15.257 0.536 7.113 1.00 22.12 H new ATOM 0 HE3 MET A 112 16.534 1.499 7.894 1.00 22.12 H new ATOM 1814 N LEU A 113 14.943 -1.826 8.716 1.00 14.54 N ATOM 1815 CA LEU A 113 13.661 -1.798 9.464 1.00 4.11 C ATOM 1816 C LEU A 113 12.829 -0.533 9.039 1.00 23.40 C ATOM 1817 O LEU A 113 12.032 -0.007 9.812 1.00 74.02 O ATOM 1818 CB LEU A 113 13.953 -1.806 11.024 1.00 11.55 C ATOM 1819 CG LEU A 113 12.774 -2.138 12.021 1.00 52.23 C ATOM 1820 CD1 LEU A 113 12.254 -0.876 12.747 1.00 62.45 C ATOM 1821 CD2 LEU A 113 11.632 -2.892 11.305 1.00 64.01 C ATOM 0 H LEU A 113 14.988 -1.133 7.969 1.00 14.54 H new ATOM 0 HA LEU A 113 13.072 -2.684 9.227 1.00 4.11 H new ATOM 0 HB2 LEU A 113 14.751 -2.526 11.206 1.00 11.55 H new ATOM 0 HB3 LEU A 113 14.343 -0.824 11.291 1.00 11.55 H new ATOM 0 HG LEU A 113 13.178 -2.799 12.788 1.00 52.23 H new ATOM 0 HD11 LEU A 113 11.444 -1.152 13.422 1.00 62.45 H new ATOM 0 HD12 LEU A 113 13.065 -0.425 13.319 1.00 62.45 H new ATOM 0 HD13 LEU A 113 11.886 -0.160 12.013 1.00 62.45 H new ATOM 0 HD21 LEU A 113 10.835 -3.107 12.017 1.00 64.01 H new ATOM 0 HD22 LEU A 113 11.240 -2.275 10.496 1.00 64.01 H new ATOM 0 HD23 LEU A 113 12.014 -3.827 10.895 1.00 64.01 H new ATOM 1833 N LEU A 114 13.053 -0.057 7.792 1.00 72.04 N ATOM 1834 CA LEU A 114 12.407 1.153 7.182 1.00 12.30 C ATOM 1835 C LEU A 114 13.035 2.461 7.723 1.00 42.21 C ATOM 1836 O LEU A 114 13.048 3.482 7.036 1.00 54.21 O ATOM 1837 CB LEU A 114 10.841 1.124 7.309 1.00 22.45 C ATOM 1838 CG LEU A 114 10.006 1.669 6.094 1.00 62.44 C ATOM 1839 CD1 LEU A 114 8.538 1.194 6.178 1.00 10.41 C ATOM 1840 CD2 LEU A 114 10.083 3.210 5.970 1.00 31.33 C ATOM 0 H LEU A 114 13.707 -0.511 7.154 1.00 72.04 H new ATOM 0 HA LEU A 114 12.613 1.127 6.112 1.00 12.30 H new ATOM 0 HB2 LEU A 114 10.537 0.093 7.491 1.00 22.45 H new ATOM 0 HB3 LEU A 114 10.564 1.699 8.193 1.00 22.45 H new ATOM 0 HG LEU A 114 10.453 1.256 5.190 1.00 62.44 H new ATOM 0 HD11 LEU A 114 7.980 1.584 5.327 1.00 10.41 H new ATOM 0 HD12 LEU A 114 8.507 0.105 6.164 1.00 10.41 H new ATOM 0 HD13 LEU A 114 8.090 1.558 7.103 1.00 10.41 H new ATOM 0 HD21 LEU A 114 9.490 3.536 5.116 1.00 31.33 H new ATOM 0 HD22 LEU A 114 9.693 3.668 6.879 1.00 31.33 H new ATOM 0 HD23 LEU A 114 11.121 3.512 5.828 1.00 31.33 H new ATOM 1852 N VAL A 115 13.660 2.373 8.901 1.00 34.31 N ATOM 1853 CA VAL A 115 14.220 3.514 9.625 1.00 2.41 C ATOM 1854 C VAL A 115 15.714 3.253 9.912 1.00 52.12 C ATOM 1855 O VAL A 115 16.111 2.090 10.121 1.00 61.44 O ATOM 1856 CB VAL A 115 13.436 3.774 10.970 1.00 61.41 C ATOM 1857 CG1 VAL A 115 11.967 4.139 10.679 1.00 31.43 C ATOM 1858 CG2 VAL A 115 13.528 2.571 11.945 1.00 21.50 C ATOM 0 H VAL A 115 13.793 1.486 9.387 1.00 34.31 H new ATOM 0 HA VAL A 115 14.119 4.406 9.007 1.00 2.41 H new ATOM 0 HB VAL A 115 13.913 4.619 11.466 1.00 61.41 H new ATOM 0 HG11 VAL A 115 11.443 4.315 11.618 1.00 31.43 H new ATOM 0 HG12 VAL A 115 11.930 5.041 10.069 1.00 31.43 H new ATOM 0 HG13 VAL A 115 11.488 3.319 10.144 1.00 31.43 H new ATOM 0 HG21 VAL A 115 12.973 2.797 12.856 1.00 21.50 H new ATOM 0 HG22 VAL A 115 13.103 1.686 11.472 1.00 21.50 H new ATOM 0 HG23 VAL A 115 14.573 2.383 12.194 1.00 21.50 H new ATOM 1868 N PRO A 116 16.577 4.313 9.876 1.00 61.22 N ATOM 1869 CA PRO A 116 17.998 4.196 10.272 1.00 62.33 C ATOM 1870 C PRO A 116 18.147 3.937 11.791 1.00 11.54 C ATOM 1871 O PRO A 116 17.176 4.070 12.554 1.00 24.34 O ATOM 1872 CB PRO A 116 18.611 5.569 9.857 1.00 53.01 C ATOM 1873 CG PRO A 116 17.596 6.199 8.944 1.00 63.01 C ATOM 1874 CD PRO A 116 16.259 5.696 9.432 1.00 12.54 C ATOM 0 HA PRO A 116 18.499 3.353 9.796 1.00 62.33 H new ATOM 0 HB2 PRO A 116 18.798 6.196 10.729 1.00 53.01 H new ATOM 0 HB3 PRO A 116 19.567 5.436 9.350 1.00 53.01 H new ATOM 0 HG2 PRO A 116 17.648 7.287 8.989 1.00 63.01 H new ATOM 0 HG3 PRO A 116 17.769 5.914 7.906 1.00 63.01 H new ATOM 0 HD2 PRO A 116 15.870 6.305 10.248 1.00 12.54 H new ATOM 0 HD3 PRO A 116 15.509 5.706 8.641 1.00 12.54 H new ATOM 1882 N ASP A 117 19.375 3.553 12.200 1.00 31.33 N ATOM 1883 CA ASP A 117 19.739 3.279 13.614 1.00 72.15 C ATOM 1884 C ASP A 117 18.971 2.051 14.155 1.00 13.54 C ATOM 1885 O ASP A 117 18.746 1.924 15.364 1.00 34.32 O ATOM 1886 CB ASP A 117 19.512 4.531 14.521 1.00 13.55 C ATOM 1887 CG ASP A 117 20.244 5.792 14.025 1.00 3.15 C ATOM 1888 OD1 ASP A 117 21.455 5.927 14.277 1.00 0.30 O ATOM 1889 OD2 ASP A 117 19.606 6.658 13.386 1.00 11.31 O ATOM 0 H ASP A 117 20.153 3.422 11.553 1.00 31.33 H new ATOM 0 HA ASP A 117 20.804 3.049 13.640 1.00 72.15 H new ATOM 0 HB2 ASP A 117 18.444 4.740 14.577 1.00 13.55 H new ATOM 0 HB3 ASP A 117 19.846 4.302 15.533 1.00 13.55 H new ATOM 1894 N ALA A 118 18.609 1.139 13.242 1.00 63.13 N ATOM 1895 CA ALA A 118 17.845 -0.082 13.551 1.00 20.54 C ATOM 1896 C ALA A 118 18.599 -1.315 13.012 1.00 53.12 C ATOM 1897 O ALA A 118 19.129 -1.259 11.893 1.00 5.34 O ATOM 1898 CB ALA A 118 16.439 0.026 12.939 1.00 65.21 C ATOM 0 H ALA A 118 18.841 1.228 12.253 1.00 63.13 H new ATOM 0 HA ALA A 118 17.740 -0.194 14.630 1.00 20.54 H new ATOM 0 HB1 ALA A 118 15.873 -0.877 13.167 1.00 65.21 H new ATOM 0 HB2 ALA A 118 15.926 0.892 13.357 1.00 65.21 H new ATOM 0 HB3 ALA A 118 16.520 0.140 11.858 1.00 65.21 H new ATOM 1904 N PRO A 119 18.672 -2.445 13.796 1.00 41.44 N ATOM 1905 CA PRO A 119 19.461 -3.639 13.405 1.00 42.52 C ATOM 1906 C PRO A 119 18.899 -4.295 12.121 1.00 72.23 C ATOM 1907 O PRO A 119 17.681 -4.498 12.006 1.00 54.34 O ATOM 1908 CB PRO A 119 19.362 -4.567 14.646 1.00 60.44 C ATOM 1909 CG PRO A 119 18.115 -4.138 15.362 1.00 51.51 C ATOM 1910 CD PRO A 119 17.980 -2.651 15.106 1.00 75.42 C ATOM 0 HA PRO A 119 20.495 -3.405 13.154 1.00 42.52 H new ATOM 0 HB2 PRO A 119 19.305 -5.615 14.350 1.00 60.44 H new ATOM 0 HB3 PRO A 119 20.238 -4.463 15.286 1.00 60.44 H new ATOM 0 HG2 PRO A 119 17.245 -4.679 14.990 1.00 51.51 H new ATOM 0 HG3 PRO A 119 18.187 -4.346 16.430 1.00 51.51 H new ATOM 0 HD2 PRO A 119 16.934 -2.348 15.057 1.00 75.42 H new ATOM 0 HD3 PRO A 119 18.445 -2.066 15.899 1.00 75.42 H new ATOM 1918 N GLY A 120 19.813 -4.603 11.178 1.00 4.14 N ATOM 1919 CA GLY A 120 19.465 -5.052 9.827 1.00 30.25 C ATOM 1920 C GLY A 120 18.646 -6.337 9.791 1.00 53.33 C ATOM 1921 O GLY A 120 19.075 -7.359 10.338 1.00 22.20 O ATOM 0 H GLY A 120 20.818 -4.545 11.340 1.00 4.14 H new ATOM 0 HA2 GLY A 120 18.905 -4.262 9.326 1.00 30.25 H new ATOM 0 HA3 GLY A 120 20.382 -5.202 9.258 1.00 30.25 H new ATOM 1925 N ALA A 121 17.468 -6.270 9.150 1.00 14.00 N ATOM 1926 CA ALA A 121 16.561 -7.418 8.980 1.00 13.31 C ATOM 1927 C ALA A 121 17.061 -8.379 7.883 1.00 44.24 C ATOM 1928 O ALA A 121 18.063 -8.111 7.203 1.00 50.32 O ATOM 1929 CB ALA A 121 15.137 -6.918 8.666 1.00 42.40 C ATOM 0 H ALA A 121 17.115 -5.410 8.731 1.00 14.00 H new ATOM 0 HA ALA A 121 16.542 -7.979 9.914 1.00 13.31 H new ATOM 0 HB1 ALA A 121 14.471 -7.772 8.541 1.00 42.40 H new ATOM 0 HB2 ALA A 121 14.780 -6.296 9.487 1.00 42.40 H new ATOM 0 HB3 ALA A 121 15.152 -6.332 7.747 1.00 42.40 H new ATOM 1935 N SER A 122 16.356 -9.508 7.724 1.00 63.14 N ATOM 1936 CA SER A 122 16.703 -10.549 6.741 1.00 64.23 C ATOM 1937 C SER A 122 15.443 -10.927 5.922 1.00 64.13 C ATOM 1938 O SER A 122 15.227 -10.326 4.844 1.00 11.45 O ATOM 1939 CB SER A 122 17.320 -11.765 7.478 1.00 43.11 C ATOM 1940 OG SER A 122 18.419 -11.359 8.282 1.00 42.40 O ATOM 1941 OXT SER A 122 14.652 -11.792 6.373 1.00 36.93 O ATOM 0 H SER A 122 15.526 -9.727 8.275 1.00 63.14 H new ATOM 0 HA SER A 122 17.449 -10.180 6.037 1.00 64.23 H new ATOM 0 HB2 SER A 122 16.563 -12.241 8.101 1.00 43.11 H new ATOM 0 HB3 SER A 122 17.649 -12.508 6.752 1.00 43.11 H new ATOM 0 HG SER A 122 18.795 -12.139 8.741 1.00 42.40 H new TER 1947 SER A 122