USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=49 USER MOD reduce.3.24.130724 removed 1234 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 52 THR OG1 : rot 163:sc= 0.424 USER MOD Set 1.2: A 460 GLN : amide:sc= -0.566 X(o=-1.2,f=-1.2) USER MOD Set 1.3: A 464 MET CE :methyl -155:sc= -1.02 (180deg=-0.277) USER MOD Set 2.1: A 439 GLN : amide:sc= -0.103 K(o=-0.11,f=-0.8) USER MOD Set 2.2: A 442 GLN :FLIP amide:sc=-0.00713 F(o=-1.8,f=-0.11) USER MOD Set 3.1: A 79 LYS NZ :NH3+ -111:sc= 0.459 (180deg=-0.33) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.481 K(o=0.94,f=-8.1!) USER MOD Set 4.1: A 18 SER OG : rot -14:sc= 0.907 USER MOD Set 4.2: A 74 ASN :FLIP amide:sc= 0.248 F(o=0.61,f=1.2) USER MOD Set 5.1: A 40 TYR OH : rot -21:sc= 0.333 USER MOD Set 5.2: A 71 THR OG1 : rot -170:sc= 0.968 USER MOD Set 6.1: A 12 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Set 6.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 2 THR OG1 : rot 180:sc= -0.0345 USER MOD Set 7.2: A 3 SER OG : rot 180:sc= 0 USER MOD Set 7.3: A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -174:sc= 0 (180deg=-0.0509) USER MOD Single : A 1 MET N :NH3+ 179:sc=-0.000323 (180deg=-0.00396) USER MOD Single : A 4 THR OG1 : rot -125:sc= 0.218 USER MOD Single : A 9 ASN : amide:sc= 0.599 K(o=0.6,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.386 X(o=-0.39,f=0) USER MOD Single : A 20 SER OG : rot 81:sc= 1.2 USER MOD Single : A 26 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.368 X(o=-0.37,f=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 39 SER OG : rot 180:sc= 0.00135 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 43 SER OG : rot 78:sc= 1.28 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00584 USER MOD Single : A 48 MET CE :methyl -118:sc= -3.07! (180deg=-3.34!) USER MOD Single : A 51 GLN : amide:sc= -0.0213 X(o=-0.021,f=-0.18) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0559 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl 170:sc= -2.57! (180deg=-2.91!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN :FLIP amide:sc= -1.34 F(o=-2.8!,f=-1.3) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.324 X(o=-0.32,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc=-0.00219 X(o=-0.0022,f=-0.0022) USER MOD Single : A 99 GLN : amide:sc= -0.658 X(o=-0.66,f=-0.2) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 428 SER OG : rot 48:sc= 0.364 USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 436 TYR OH : rot 180:sc= 0 USER MOD Single : A 437 LYS NZ :NH3+ 167:sc= -0.0158 (180deg=-0.18) USER MOD Single : A 441 THR OG1 : rot 79:sc= 0.93 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -119:sc= -0.013 (180deg=-2.22!) USER MOD Single : A 447 MET CE :methyl 173:sc= -1.53 (180deg=-1.62) USER MOD Single : A 448 SER OG : rot 180:sc= 0.0129 USER MOD Single : A 449 LYS NZ :NH3+ 147:sc= 0.407 (180deg=-0.136) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 453 THR OG1 : rot 152:sc= -1.15 USER MOD Single : A 454 SER OG : rot -86:sc= 0.974 USER MOD Single : A 455 SER OG : rot 71:sc= 1 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.792 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 462 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 465 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.83) USER MOD Single : A 466 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00876) USER MOD Single : A 467 SER OG : rot 43:sc= 0.0815 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.083 21.841 20.923 1.00 1.40 N ATOM 2 CA MET A 1 -0.186 21.620 19.769 1.00 35.42 C ATOM 3 C MET A 1 -0.928 20.817 18.674 1.00 71.54 C ATOM 4 O MET A 1 -0.876 19.586 18.645 1.00 13.21 O ATOM 5 CB MET A 1 1.140 20.935 20.241 1.00 71.13 C ATOM 6 CG MET A 1 0.980 19.647 21.071 1.00 52.42 C ATOM 7 SD MET A 1 2.566 18.943 21.579 1.00 35.15 S ATOM 8 CE MET A 1 2.068 17.403 22.356 1.00 14.12 C ATOM 0 H1 MET A 1 -0.574 22.366 21.663 1.00 1.40 H new ATOM 0 H2 MET A 1 -1.913 22.389 20.618 1.00 1.40 H new ATOM 0 H3 MET A 1 -1.394 20.924 21.302 1.00 1.40 H new ATOM 0 HA MET A 1 0.097 22.575 19.326 1.00 35.42 H new ATOM 0 HB2 MET A 1 1.739 20.703 19.360 1.00 71.13 H new ATOM 0 HB3 MET A 1 1.707 21.655 20.831 1.00 71.13 H new ATOM 0 HG2 MET A 1 0.382 19.862 21.957 1.00 52.42 H new ATOM 0 HG3 MET A 1 0.430 18.909 20.487 1.00 52.42 H new ATOM 0 HE1 MET A 1 2.938 16.924 22.806 1.00 14.12 H new ATOM 0 HE2 MET A 1 1.327 17.608 23.128 1.00 14.12 H new ATOM 0 HE3 MET A 1 1.637 16.740 21.606 1.00 14.12 H new ATOM 20 N THR A 2 -1.648 21.544 17.797 1.00 63.12 N ATOM 21 CA THR A 2 -2.567 20.964 16.787 1.00 43.14 C ATOM 22 C THR A 2 -1.826 20.071 15.757 1.00 21.13 C ATOM 23 O THR A 2 -2.218 18.916 15.514 1.00 72.24 O ATOM 24 CB THR A 2 -3.334 22.106 16.041 1.00 42.13 C ATOM 25 OG1 THR A 2 -2.385 22.985 15.419 1.00 13.12 O ATOM 26 CG2 THR A 2 -4.225 22.934 16.988 1.00 72.00 C ATOM 0 H THR A 2 -1.610 22.563 17.766 1.00 63.12 H new ATOM 0 HA THR A 2 -3.273 20.329 17.322 1.00 43.14 H new ATOM 0 HB THR A 2 -3.979 21.633 15.301 1.00 42.13 H new ATOM 0 HG1 THR A 2 -2.861 23.701 14.949 1.00 13.12 H new ATOM 0 HG21 THR A 2 -4.735 23.713 16.420 1.00 72.00 H new ATOM 0 HG22 THR A 2 -4.964 22.283 17.455 1.00 72.00 H new ATOM 0 HG23 THR A 2 -3.607 23.393 17.760 1.00 72.00 H new ATOM 34 N SER A 3 -0.740 20.618 15.187 1.00 41.30 N ATOM 35 CA SER A 3 0.078 19.934 14.170 1.00 70.25 C ATOM 36 C SER A 3 0.778 18.694 14.757 1.00 74.11 C ATOM 37 O SER A 3 0.869 17.642 14.108 1.00 42.25 O ATOM 38 CB SER A 3 1.108 20.933 13.610 1.00 30.24 C ATOM 39 OG SER A 3 0.457 22.099 13.132 1.00 31.35 O ATOM 0 H SER A 3 -0.402 21.552 15.419 1.00 41.30 H new ATOM 0 HA SER A 3 -0.568 19.584 13.365 1.00 70.25 H new ATOM 0 HB2 SER A 3 1.824 21.201 14.387 1.00 30.24 H new ATOM 0 HB3 SER A 3 1.674 20.468 12.803 1.00 30.24 H new ATOM 0 HG SER A 3 1.124 22.725 12.781 1.00 31.35 H new ATOM 45 N THR A 4 1.231 18.834 16.004 1.00 43.44 N ATOM 46 CA THR A 4 1.972 17.792 16.703 1.00 55.21 C ATOM 47 C THR A 4 1.044 16.631 17.139 1.00 1.51 C ATOM 48 O THR A 4 1.438 15.475 17.051 1.00 2.01 O ATOM 49 CB THR A 4 2.731 18.397 17.927 1.00 74.30 C ATOM 50 OG1 THR A 4 3.560 19.485 17.479 1.00 31.45 O ATOM 51 CG2 THR A 4 3.600 17.361 18.659 1.00 72.42 C ATOM 0 H THR A 4 1.091 19.680 16.557 1.00 43.44 H new ATOM 0 HA THR A 4 2.706 17.376 16.012 1.00 55.21 H new ATOM 0 HB THR A 4 1.980 18.747 18.636 1.00 74.30 H new ATOM 0 HG1 THR A 4 4.487 19.325 17.754 1.00 31.45 H new ATOM 0 HG21 THR A 4 4.104 17.838 19.500 1.00 72.42 H new ATOM 0 HG22 THR A 4 2.969 16.551 19.025 1.00 72.42 H new ATOM 0 HG23 THR A 4 4.344 16.959 17.971 1.00 72.42 H new ATOM 59 N VAL A 5 -0.206 16.942 17.563 1.00 44.24 N ATOM 60 CA VAL A 5 -1.156 15.906 18.047 1.00 51.01 C ATOM 61 C VAL A 5 -1.694 15.053 16.871 1.00 34.23 C ATOM 62 O VAL A 5 -1.780 13.819 16.995 1.00 60.14 O ATOM 63 CB VAL A 5 -2.344 16.501 18.916 1.00 53.12 C ATOM 64 CG1 VAL A 5 -3.219 17.492 18.129 1.00 60.31 C ATOM 65 CG2 VAL A 5 -3.218 15.381 19.532 1.00 14.43 C ATOM 0 H VAL A 5 -0.578 17.891 17.580 1.00 44.24 H new ATOM 0 HA VAL A 5 -0.588 15.258 18.715 1.00 51.01 H new ATOM 0 HB VAL A 5 -1.872 17.057 19.726 1.00 53.12 H new ATOM 0 HG11 VAL A 5 -4.015 17.866 18.773 1.00 60.31 H new ATOM 0 HG12 VAL A 5 -2.606 18.326 17.787 1.00 60.31 H new ATOM 0 HG13 VAL A 5 -3.657 16.987 17.268 1.00 60.31 H new ATOM 0 HG21 VAL A 5 -4.020 15.827 20.120 1.00 14.43 H new ATOM 0 HG22 VAL A 5 -3.647 14.774 18.735 1.00 14.43 H new ATOM 0 HG23 VAL A 5 -2.603 14.752 20.176 1.00 14.43 H new ATOM 75 N GLU A 6 -2.018 15.702 15.718 1.00 13.42 N ATOM 76 CA GLU A 6 -2.468 14.978 14.500 1.00 25.33 C ATOM 77 C GLU A 6 -1.328 14.089 13.964 1.00 25.22 C ATOM 78 O GLU A 6 -1.576 13.008 13.442 1.00 11.54 O ATOM 79 CB GLU A 6 -2.960 15.956 13.392 1.00 72.15 C ATOM 80 CG GLU A 6 -1.893 16.930 12.877 1.00 44.44 C ATOM 81 CD GLU A 6 -2.407 17.927 11.829 1.00 4.21 C ATOM 82 OE1 GLU A 6 -2.979 18.972 12.214 1.00 15.31 O ATOM 83 OE2 GLU A 6 -2.227 17.688 10.621 1.00 14.30 O ATOM 0 H GLU A 6 -1.976 16.715 15.609 1.00 13.42 H new ATOM 0 HA GLU A 6 -3.314 14.351 14.779 1.00 25.33 H new ATOM 0 HB2 GLU A 6 -3.335 15.372 12.552 1.00 72.15 H new ATOM 0 HB3 GLU A 6 -3.800 16.531 13.781 1.00 72.15 H new ATOM 0 HG2 GLU A 6 -1.486 17.485 13.722 1.00 44.44 H new ATOM 0 HG3 GLU A 6 -1.072 16.357 12.446 1.00 44.44 H new ATOM 90 N PHE A 7 -0.081 14.574 14.109 1.00 70.11 N ATOM 91 CA PHE A 7 1.139 13.807 13.807 1.00 21.41 C ATOM 92 C PHE A 7 1.186 12.487 14.633 1.00 2.31 C ATOM 93 O PHE A 7 1.256 11.404 14.050 1.00 1.13 O ATOM 94 CB PHE A 7 2.352 14.729 14.092 1.00 42.23 C ATOM 95 CG PHE A 7 3.733 14.106 13.952 1.00 53.44 C ATOM 96 CD1 PHE A 7 4.391 14.083 12.727 1.00 35.04 C ATOM 97 CD2 PHE A 7 4.388 13.574 15.060 1.00 62.12 C ATOM 98 CE1 PHE A 7 5.658 13.552 12.620 1.00 31.25 C ATOM 99 CE2 PHE A 7 5.649 13.043 14.942 1.00 72.11 C ATOM 100 CZ PHE A 7 6.281 13.031 13.723 1.00 24.31 C ATOM 0 H PHE A 7 0.108 15.519 14.443 1.00 70.11 H new ATOM 0 HA PHE A 7 1.157 13.502 12.761 1.00 21.41 H new ATOM 0 HB2 PHE A 7 2.295 15.584 13.418 1.00 42.23 H new ATOM 0 HB3 PHE A 7 2.255 15.115 15.107 1.00 42.23 H new ATOM 0 HD1 PHE A 7 3.904 14.485 11.851 1.00 35.04 H new ATOM 0 HD2 PHE A 7 3.899 13.579 16.023 1.00 62.12 H new ATOM 0 HE1 PHE A 7 6.161 13.547 11.664 1.00 31.25 H new ATOM 0 HE2 PHE A 7 6.145 12.634 15.810 1.00 72.11 H new ATOM 0 HZ PHE A 7 7.271 12.610 13.634 1.00 24.31 H new ATOM 110 N ILE A 8 1.077 12.611 15.981 1.00 23.00 N ATOM 111 CA ILE A 8 1.145 11.467 16.938 1.00 54.30 C ATOM 112 C ILE A 8 0.104 10.374 16.580 1.00 54.31 C ATOM 113 O ILE A 8 0.468 9.223 16.266 1.00 51.01 O ATOM 114 CB ILE A 8 0.884 11.954 18.427 1.00 4.41 C ATOM 115 CG1 ILE A 8 1.926 13.022 18.874 1.00 42.33 C ATOM 116 CG2 ILE A 8 0.864 10.769 19.423 1.00 31.41 C ATOM 117 CD1 ILE A 8 1.610 13.719 20.194 1.00 15.15 C ATOM 0 H ILE A 8 0.939 13.511 16.441 1.00 23.00 H new ATOM 0 HA ILE A 8 2.148 11.048 16.863 1.00 54.30 H new ATOM 0 HB ILE A 8 -0.102 12.418 18.436 1.00 4.41 H new ATOM 0 HG12 ILE A 8 2.902 12.543 18.958 1.00 42.33 H new ATOM 0 HG13 ILE A 8 2.008 13.777 18.092 1.00 42.33 H new ATOM 0 HG21 ILE A 8 0.683 11.144 20.430 1.00 31.41 H new ATOM 0 HG22 ILE A 8 0.071 10.074 19.146 1.00 31.41 H new ATOM 0 HG23 ILE A 8 1.824 10.254 19.395 1.00 31.41 H new ATOM 0 HD11 ILE A 8 2.393 14.444 20.419 1.00 15.15 H new ATOM 0 HD12 ILE A 8 0.652 14.233 20.114 1.00 15.15 H new ATOM 0 HD13 ILE A 8 1.559 12.979 20.993 1.00 15.15 H new ATOM 129 N ASN A 9 -1.182 10.788 16.602 1.00 12.41 N ATOM 130 CA ASN A 9 -2.337 9.893 16.410 1.00 32.23 C ATOM 131 C ASN A 9 -2.301 9.202 15.046 1.00 72.24 C ATOM 132 O ASN A 9 -2.431 7.978 14.981 1.00 74.10 O ATOM 133 CB ASN A 9 -3.679 10.659 16.592 1.00 34.31 C ATOM 134 CG ASN A 9 -4.025 10.933 18.059 1.00 20.32 C ATOM 135 OD1 ASN A 9 -4.668 10.115 18.722 1.00 14.31 O ATOM 136 ND2 ASN A 9 -3.611 12.079 18.584 1.00 15.22 N ATOM 0 H ASN A 9 -1.446 11.761 16.755 1.00 12.41 H new ATOM 0 HA ASN A 9 -2.271 9.122 17.177 1.00 32.23 H new ATOM 0 HB2 ASN A 9 -3.625 11.606 16.056 1.00 34.31 H new ATOM 0 HB3 ASN A 9 -4.484 10.081 16.138 1.00 34.31 H new ATOM 0 HD21 ASN A 9 -3.823 12.300 19.557 1.00 15.22 H new ATOM 0 HD22 ASN A 9 -3.081 12.739 18.015 1.00 15.22 H new ATOM 143 N ARG A 10 -2.090 9.982 13.963 1.00 12.41 N ATOM 144 CA ARG A 10 -2.171 9.453 12.585 1.00 2.11 C ATOM 145 C ARG A 10 -1.039 8.469 12.271 1.00 74.15 C ATOM 146 O ARG A 10 -1.285 7.506 11.558 1.00 64.42 O ATOM 147 CB ARG A 10 -2.230 10.574 11.525 1.00 51.43 C ATOM 148 CG ARG A 10 -3.524 11.406 11.568 1.00 3.34 C ATOM 149 CD ARG A 10 -3.624 12.420 10.423 1.00 11.32 C ATOM 150 NE ARG A 10 -2.517 13.399 10.434 1.00 5.54 N ATOM 151 CZ ARG A 10 -2.344 14.363 9.519 1.00 4.24 C ATOM 152 NH1 ARG A 10 -3.190 14.505 8.502 1.00 42.15 N ATOM 153 NH2 ARG A 10 -1.293 15.170 9.596 1.00 62.11 N ATOM 0 H ARG A 10 -1.863 10.975 14.016 1.00 12.41 H new ATOM 0 HA ARG A 10 -3.111 8.903 12.534 1.00 2.11 H new ATOM 0 HB2 ARG A 10 -1.378 11.239 11.666 1.00 51.43 H new ATOM 0 HB3 ARG A 10 -2.128 10.130 10.535 1.00 51.43 H new ATOM 0 HG2 ARG A 10 -4.382 10.735 11.527 1.00 3.34 H new ATOM 0 HG3 ARG A 10 -3.578 11.935 12.520 1.00 3.34 H new ATOM 0 HD2 ARG A 10 -3.625 11.889 9.471 1.00 11.32 H new ATOM 0 HD3 ARG A 10 -4.574 12.950 10.494 1.00 11.32 H new ATOM 0 HE ARG A 10 -1.837 13.337 11.191 1.00 5.54 H new ATOM 0 HH11 ARG A 10 -3.986 13.874 8.409 1.00 42.15 H new ATOM 0 HH12 ARG A 10 -3.042 15.245 7.815 1.00 42.15 H new ATOM 0 HH21 ARG A 10 -0.617 15.056 10.351 1.00 62.11 H new ATOM 0 HH22 ARG A 10 -1.161 15.904 8.900 1.00 62.11 H new ATOM 167 N TRP A 11 0.183 8.697 12.804 1.00 72.42 N ATOM 168 CA TRP A 11 1.297 7.728 12.658 1.00 33.03 C ATOM 169 C TRP A 11 0.959 6.399 13.343 1.00 24.31 C ATOM 170 O TRP A 11 1.266 5.323 12.803 1.00 43.31 O ATOM 171 CB TRP A 11 2.642 8.284 13.199 1.00 41.31 C ATOM 172 CG TRP A 11 3.364 9.182 12.223 1.00 14.30 C ATOM 173 CD1 TRP A 11 3.632 10.509 12.359 1.00 55.25 C ATOM 174 CD2 TRP A 11 3.908 8.798 10.947 1.00 74.20 C ATOM 175 NE1 TRP A 11 4.312 10.967 11.267 1.00 33.52 N ATOM 176 CE2 TRP A 11 4.496 9.945 10.388 1.00 61.24 C ATOM 177 CE3 TRP A 11 3.958 7.595 10.226 1.00 12.20 C ATOM 178 CZ2 TRP A 11 5.125 9.933 9.157 1.00 21.13 C ATOM 179 CZ3 TRP A 11 4.583 7.586 8.997 1.00 23.30 C ATOM 180 CH2 TRP A 11 5.161 8.752 8.478 1.00 75.40 C ATOM 0 H TRP A 11 0.423 9.535 13.334 1.00 72.42 H new ATOM 0 HA TRP A 11 1.423 7.556 11.589 1.00 33.03 H new ATOM 0 HB2 TRP A 11 2.452 8.839 14.118 1.00 41.31 H new ATOM 0 HB3 TRP A 11 3.292 7.449 13.460 1.00 41.31 H new ATOM 0 HD1 TRP A 11 3.348 11.113 13.208 1.00 55.25 H new ATOM 0 HE1 TRP A 11 4.632 11.926 11.131 1.00 33.52 H new ATOM 0 HE3 TRP A 11 3.516 6.694 10.626 1.00 12.20 H new ATOM 0 HZ2 TRP A 11 5.572 10.827 8.748 1.00 21.13 H new ATOM 0 HZ3 TRP A 11 4.628 6.669 8.428 1.00 23.30 H new ATOM 0 HH2 TRP A 11 5.648 8.714 7.515 1.00 75.40 H new ATOM 191 N GLN A 12 0.325 6.484 14.534 1.00 14.40 N ATOM 192 CA GLN A 12 -0.174 5.296 15.240 1.00 22.13 C ATOM 193 C GLN A 12 -1.205 4.546 14.373 1.00 13.15 C ATOM 194 O GLN A 12 -1.150 3.319 14.282 1.00 61.35 O ATOM 195 CB GLN A 12 -0.792 5.672 16.607 1.00 74.24 C ATOM 196 CG GLN A 12 -1.155 4.447 17.475 1.00 23.43 C ATOM 197 CD GLN A 12 -1.761 4.798 18.827 1.00 3.40 C ATOM 198 OE1 GLN A 12 -2.469 5.794 18.968 1.00 53.33 O ATOM 199 NE2 GLN A 12 -1.483 3.986 19.831 1.00 12.51 N ATOM 0 H GLN A 12 0.150 7.363 15.020 1.00 14.40 H new ATOM 0 HA GLN A 12 0.675 4.638 15.425 1.00 22.13 H new ATOM 0 HB2 GLN A 12 -0.089 6.300 17.154 1.00 74.24 H new ATOM 0 HB3 GLN A 12 -1.689 6.268 16.440 1.00 74.24 H new ATOM 0 HG2 GLN A 12 -1.859 3.822 16.925 1.00 23.43 H new ATOM 0 HG3 GLN A 12 -0.257 3.851 17.636 1.00 23.43 H new ATOM 0 HE21 GLN A 12 -0.892 3.169 19.677 1.00 12.51 H new ATOM 0 HE22 GLN A 12 -1.859 4.176 20.760 1.00 12.51 H new ATOM 208 N ARG A 13 -2.105 5.311 13.705 1.00 11.40 N ATOM 209 CA ARG A 13 -3.142 4.740 12.824 1.00 3.11 C ATOM 210 C ARG A 13 -2.492 3.986 11.653 1.00 14.41 C ATOM 211 O ARG A 13 -2.851 2.848 11.397 1.00 43.13 O ATOM 212 CB ARG A 13 -4.091 5.830 12.252 1.00 41.35 C ATOM 213 CG ARG A 13 -4.798 6.725 13.288 1.00 75.54 C ATOM 214 CD ARG A 13 -5.630 5.958 14.333 1.00 3.15 C ATOM 215 NE ARG A 13 -6.471 6.884 15.123 1.00 14.15 N ATOM 216 CZ ARG A 13 -6.555 6.943 16.464 1.00 2.44 C ATOM 217 NH1 ARG A 13 -5.847 6.122 17.239 1.00 24.25 N ATOM 218 NH2 ARG A 13 -7.374 7.821 17.021 1.00 44.44 N ATOM 0 H ARG A 13 -2.129 6.329 13.764 1.00 11.40 H new ATOM 0 HA ARG A 13 -3.732 4.056 13.434 1.00 3.11 H new ATOM 0 HB2 ARG A 13 -3.515 6.469 11.583 1.00 41.35 H new ATOM 0 HB3 ARG A 13 -4.853 5.338 11.647 1.00 41.35 H new ATOM 0 HG2 ARG A 13 -4.047 7.321 13.807 1.00 75.54 H new ATOM 0 HG3 ARG A 13 -5.451 7.421 12.762 1.00 75.54 H new ATOM 0 HD2 ARG A 13 -6.262 5.224 13.833 1.00 3.15 H new ATOM 0 HD3 ARG A 13 -4.966 5.406 14.998 1.00 3.15 H new ATOM 0 HE ARG A 13 -7.045 7.544 14.598 1.00 14.15 H new ATOM 0 HH11 ARG A 13 -5.226 5.431 16.817 1.00 24.25 H new ATOM 0 HH12 ARG A 13 -5.926 6.184 18.254 1.00 24.25 H new ATOM 0 HH21 ARG A 13 -7.931 8.442 16.434 1.00 44.44 H new ATOM 0 HH22 ARG A 13 -7.448 7.877 18.037 1.00 44.44 H new ATOM 232 N ILE A 14 -1.512 4.646 10.990 1.00 54.13 N ATOM 233 CA ILE A 14 -0.774 4.102 9.823 1.00 71.33 C ATOM 234 C ILE A 14 -0.139 2.737 10.165 1.00 1.05 C ATOM 235 O ILE A 14 -0.216 1.797 9.374 1.00 72.34 O ATOM 236 CB ILE A 14 0.349 5.122 9.341 1.00 4.11 C ATOM 237 CG1 ILE A 14 -0.283 6.455 8.827 1.00 33.11 C ATOM 238 CG2 ILE A 14 1.269 4.513 8.258 1.00 52.42 C ATOM 239 CD1 ILE A 14 0.712 7.568 8.512 1.00 51.25 C ATOM 0 H ILE A 14 -1.208 5.583 11.254 1.00 54.13 H new ATOM 0 HA ILE A 14 -1.487 3.960 9.011 1.00 71.33 H new ATOM 0 HB ILE A 14 0.967 5.340 10.212 1.00 4.11 H new ATOM 0 HG12 ILE A 14 -0.861 6.241 7.928 1.00 33.11 H new ATOM 0 HG13 ILE A 14 -0.985 6.819 9.578 1.00 33.11 H new ATOM 0 HG21 ILE A 14 2.018 5.247 7.962 1.00 52.42 H new ATOM 0 HG22 ILE A 14 1.766 3.629 8.658 1.00 52.42 H new ATOM 0 HG23 ILE A 14 0.673 4.233 7.390 1.00 52.42 H new ATOM 0 HD11 ILE A 14 0.174 8.449 8.163 1.00 51.25 H new ATOM 0 HD12 ILE A 14 1.274 7.819 9.412 1.00 51.25 H new ATOM 0 HD13 ILE A 14 1.400 7.232 7.736 1.00 51.25 H new ATOM 251 N ALA A 15 0.438 2.654 11.377 1.00 1.43 N ATOM 252 CA ALA A 15 1.119 1.452 11.883 1.00 51.20 C ATOM 253 C ALA A 15 0.127 0.295 12.168 1.00 71.42 C ATOM 254 O ALA A 15 0.405 -0.876 11.849 1.00 45.11 O ATOM 255 CB ALA A 15 1.898 1.825 13.145 1.00 41.22 C ATOM 0 H ALA A 15 0.444 3.430 12.039 1.00 1.43 H new ATOM 0 HA ALA A 15 1.803 1.089 11.116 1.00 51.20 H new ATOM 0 HB1 ALA A 15 2.408 0.943 13.532 1.00 41.22 H new ATOM 0 HB2 ALA A 15 2.633 2.593 12.905 1.00 41.22 H new ATOM 0 HB3 ALA A 15 1.209 2.205 13.899 1.00 41.22 H new ATOM 261 N LEU A 16 -1.031 0.640 12.774 1.00 4.43 N ATOM 262 CA LEU A 16 -2.100 -0.330 13.090 1.00 24.32 C ATOM 263 C LEU A 16 -2.741 -0.863 11.794 1.00 52.42 C ATOM 264 O LEU A 16 -3.018 -2.062 11.680 1.00 62.31 O ATOM 265 CB LEU A 16 -3.181 0.323 14.001 1.00 53.22 C ATOM 266 CG LEU A 16 -2.704 0.766 15.420 1.00 64.13 C ATOM 267 CD1 LEU A 16 -3.832 1.476 16.195 1.00 14.11 C ATOM 268 CD2 LEU A 16 -2.138 -0.426 16.221 1.00 21.02 C ATOM 0 H LEU A 16 -1.249 1.596 13.056 1.00 4.43 H new ATOM 0 HA LEU A 16 -1.656 -1.167 13.629 1.00 24.32 H new ATOM 0 HB2 LEU A 16 -3.583 1.195 13.486 1.00 53.22 H new ATOM 0 HB3 LEU A 16 -4.002 -0.384 14.120 1.00 53.22 H new ATOM 0 HG LEU A 16 -1.895 1.484 15.284 1.00 64.13 H new ATOM 0 HD11 LEU A 16 -3.467 1.772 17.179 1.00 14.11 H new ATOM 0 HD12 LEU A 16 -4.150 2.362 15.645 1.00 14.11 H new ATOM 0 HD13 LEU A 16 -4.677 0.797 16.310 1.00 14.11 H new ATOM 0 HD21 LEU A 16 -1.815 -0.083 17.204 1.00 21.02 H new ATOM 0 HD22 LEU A 16 -2.911 -1.186 16.338 1.00 21.02 H new ATOM 0 HD23 LEU A 16 -1.288 -0.852 15.688 1.00 21.02 H new ATOM 280 N LEU A 17 -2.929 0.049 10.817 1.00 14.34 N ATOM 281 CA LEU A 17 -3.531 -0.261 9.511 1.00 31.43 C ATOM 282 C LEU A 17 -2.614 -1.201 8.729 1.00 42.21 C ATOM 283 O LEU A 17 -3.069 -2.257 8.303 1.00 2.43 O ATOM 284 CB LEU A 17 -3.818 1.041 8.701 1.00 65.40 C ATOM 285 CG LEU A 17 -4.949 1.959 9.269 1.00 14.42 C ATOM 286 CD1 LEU A 17 -5.016 3.308 8.524 1.00 12.32 C ATOM 287 CD2 LEU A 17 -6.318 1.239 9.259 1.00 70.33 C ATOM 0 H LEU A 17 -2.664 1.029 10.917 1.00 14.34 H new ATOM 0 HA LEU A 17 -4.486 -0.759 9.677 1.00 31.43 H new ATOM 0 HB2 LEU A 17 -2.898 1.622 8.645 1.00 65.40 H new ATOM 0 HB3 LEU A 17 -4.081 0.761 7.681 1.00 65.40 H new ATOM 0 HG LEU A 17 -4.699 2.176 10.308 1.00 14.42 H new ATOM 0 HD11 LEU A 17 -5.814 3.918 8.947 1.00 12.32 H new ATOM 0 HD12 LEU A 17 -4.065 3.830 8.630 1.00 12.32 H new ATOM 0 HD13 LEU A 17 -5.217 3.131 7.467 1.00 12.32 H new ATOM 0 HD21 LEU A 17 -7.082 1.905 9.660 1.00 70.33 H new ATOM 0 HD22 LEU A 17 -6.577 0.964 8.237 1.00 70.33 H new ATOM 0 HD23 LEU A 17 -6.261 0.340 9.873 1.00 70.33 H new ATOM 299 N SER A 18 -1.312 -0.828 8.632 1.00 0.30 N ATOM 300 CA SER A 18 -0.295 -1.579 7.865 1.00 35.45 C ATOM 301 C SER A 18 -0.206 -3.032 8.339 1.00 32.44 C ATOM 302 O SER A 18 -0.168 -3.946 7.510 1.00 4.43 O ATOM 303 CB SER A 18 1.090 -0.894 7.973 1.00 55.53 C ATOM 304 OG SER A 18 1.488 -0.709 9.315 1.00 33.01 O ATOM 0 H SER A 18 -0.941 0.006 9.087 1.00 0.30 H new ATOM 0 HA SER A 18 -0.603 -1.580 6.819 1.00 35.45 H new ATOM 0 HB2 SER A 18 1.834 -1.499 7.455 1.00 55.53 H new ATOM 0 HB3 SER A 18 1.057 0.072 7.469 1.00 55.53 H new ATOM 0 HG SER A 18 0.718 -0.842 9.906 1.00 33.01 H new ATOM 310 N GLN A 19 -0.191 -3.224 9.674 1.00 23.32 N ATOM 311 CA GLN A 19 -0.148 -4.564 10.291 1.00 70.24 C ATOM 312 C GLN A 19 -1.406 -5.387 9.931 1.00 32.33 C ATOM 313 O GLN A 19 -1.290 -6.525 9.459 1.00 72.21 O ATOM 314 CB GLN A 19 -0.011 -4.452 11.831 1.00 55.31 C ATOM 315 CG GLN A 19 0.081 -5.817 12.557 1.00 72.32 C ATOM 316 CD GLN A 19 0.231 -5.723 14.074 1.00 0.23 C ATOM 317 OE1 GLN A 19 0.900 -6.556 14.694 1.00 70.04 O ATOM 318 NE2 GLN A 19 -0.417 -4.748 14.701 1.00 33.31 N ATOM 0 H GLN A 19 -0.208 -2.460 10.350 1.00 23.32 H new ATOM 0 HA GLN A 19 0.725 -5.082 9.895 1.00 70.24 H new ATOM 0 HB2 GLN A 19 0.879 -3.867 12.065 1.00 55.31 H new ATOM 0 HB3 GLN A 19 -0.866 -3.901 12.222 1.00 55.31 H new ATOM 0 HG2 GLN A 19 -0.814 -6.396 12.329 1.00 72.32 H new ATOM 0 HG3 GLN A 19 0.929 -6.371 12.155 1.00 72.32 H new ATOM 0 HE21 GLN A 19 -0.963 -4.072 14.166 1.00 33.31 H new ATOM 0 HE22 GLN A 19 -0.369 -4.675 15.717 1.00 33.31 H new ATOM 327 N SER A 20 -2.590 -4.782 10.145 1.00 41.00 N ATOM 328 CA SER A 20 -3.890 -5.445 9.933 1.00 24.32 C ATOM 329 C SER A 20 -4.055 -5.917 8.475 1.00 73.45 C ATOM 330 O SER A 20 -4.333 -7.094 8.226 1.00 24.42 O ATOM 331 CB SER A 20 -5.042 -4.494 10.333 1.00 42.25 C ATOM 332 OG SER A 20 -4.918 -4.081 11.688 1.00 20.24 O ATOM 0 H SER A 20 -2.672 -3.819 10.470 1.00 41.00 H new ATOM 0 HA SER A 20 -3.925 -6.331 10.568 1.00 24.32 H new ATOM 0 HB2 SER A 20 -5.039 -3.620 9.682 1.00 42.25 H new ATOM 0 HB3 SER A 20 -5.999 -4.996 10.189 1.00 42.25 H new ATOM 0 HG SER A 20 -4.265 -3.353 11.750 1.00 20.24 H new ATOM 338 N LEU A 21 -3.827 -4.992 7.518 1.00 73.35 N ATOM 339 CA LEU A 21 -3.999 -5.263 6.083 1.00 63.14 C ATOM 340 C LEU A 21 -2.859 -6.128 5.523 1.00 33.32 C ATOM 341 O LEU A 21 -3.011 -6.708 4.455 1.00 13.45 O ATOM 342 CB LEU A 21 -4.216 -3.944 5.269 1.00 21.23 C ATOM 343 CG LEU A 21 -3.077 -2.855 5.282 1.00 1.33 C ATOM 344 CD1 LEU A 21 -1.926 -3.177 4.326 1.00 14.52 C ATOM 345 CD2 LEU A 21 -3.625 -1.444 4.995 1.00 2.25 C ATOM 0 H LEU A 21 -3.520 -4.041 7.722 1.00 73.35 H new ATOM 0 HA LEU A 21 -4.910 -5.850 5.967 1.00 63.14 H new ATOM 0 HB2 LEU A 21 -4.397 -4.222 4.231 1.00 21.23 H new ATOM 0 HB3 LEU A 21 -5.128 -3.474 5.637 1.00 21.23 H new ATOM 0 HG LEU A 21 -2.674 -2.873 6.294 1.00 1.33 H new ATOM 0 HD11 LEU A 21 -1.175 -2.389 4.382 1.00 14.52 H new ATOM 0 HD12 LEU A 21 -1.475 -4.129 4.607 1.00 14.52 H new ATOM 0 HD13 LEU A 21 -2.307 -3.243 3.307 1.00 14.52 H new ATOM 0 HD21 LEU A 21 -2.806 -0.725 5.014 1.00 2.25 H new ATOM 0 HD22 LEU A 21 -4.098 -1.430 4.013 1.00 2.25 H new ATOM 0 HD23 LEU A 21 -4.359 -1.177 5.755 1.00 2.25 H new ATOM 357 N LEU A 22 -1.708 -6.178 6.231 1.00 13.10 N ATOM 358 CA LEU A 22 -0.623 -7.129 5.909 1.00 5.02 C ATOM 359 C LEU A 22 -1.131 -8.565 6.108 1.00 52.23 C ATOM 360 O LEU A 22 -0.938 -9.431 5.246 1.00 33.24 O ATOM 361 CB LEU A 22 0.624 -6.890 6.800 1.00 13.02 C ATOM 362 CG LEU A 22 1.805 -7.899 6.607 1.00 53.10 C ATOM 363 CD1 LEU A 22 2.361 -7.842 5.171 1.00 23.24 C ATOM 364 CD2 LEU A 22 2.911 -7.678 7.657 1.00 60.40 C ATOM 0 H LEU A 22 -1.508 -5.572 7.027 1.00 13.10 H new ATOM 0 HA LEU A 22 -0.329 -6.974 4.871 1.00 5.02 H new ATOM 0 HB2 LEU A 22 0.996 -5.884 6.608 1.00 13.02 H new ATOM 0 HB3 LEU A 22 0.312 -6.921 7.844 1.00 13.02 H new ATOM 0 HG LEU A 22 1.411 -8.903 6.762 1.00 53.10 H new ATOM 0 HD11 LEU A 22 3.180 -8.554 5.069 1.00 23.24 H new ATOM 0 HD12 LEU A 22 1.570 -8.095 4.464 1.00 23.24 H new ATOM 0 HD13 LEU A 22 2.727 -6.837 4.962 1.00 23.24 H new ATOM 0 HD21 LEU A 22 3.716 -8.395 7.494 1.00 60.40 H new ATOM 0 HD22 LEU A 22 3.303 -6.665 7.565 1.00 60.40 H new ATOM 0 HD23 LEU A 22 2.497 -7.817 8.656 1.00 60.40 H new ATOM 376 N GLU A 23 -1.789 -8.783 7.264 1.00 12.15 N ATOM 377 CA GLU A 23 -2.379 -10.081 7.631 1.00 11.45 C ATOM 378 C GLU A 23 -3.532 -10.440 6.675 1.00 32.50 C ATOM 379 O GLU A 23 -3.716 -11.612 6.351 1.00 51.04 O ATOM 380 CB GLU A 23 -2.873 -10.040 9.098 1.00 54.44 C ATOM 381 CG GLU A 23 -1.775 -9.701 10.127 1.00 71.55 C ATOM 382 CD GLU A 23 -2.310 -9.634 11.565 1.00 74.11 C ATOM 383 OE1 GLU A 23 -2.201 -10.643 12.305 1.00 24.32 O ATOM 384 OE2 GLU A 23 -2.872 -8.586 11.952 1.00 41.02 O ATOM 0 H GLU A 23 -1.925 -8.060 7.970 1.00 12.15 H new ATOM 0 HA GLU A 23 -1.615 -10.854 7.542 1.00 11.45 H new ATOM 0 HB2 GLU A 23 -3.672 -9.303 9.180 1.00 54.44 H new ATOM 0 HB3 GLU A 23 -3.306 -11.008 9.351 1.00 54.44 H new ATOM 0 HG2 GLU A 23 -0.987 -10.452 10.072 1.00 71.55 H new ATOM 0 HG3 GLU A 23 -1.322 -8.744 9.867 1.00 71.55 H new ATOM 391 N LEU A 24 -4.279 -9.406 6.221 1.00 2.43 N ATOM 392 CA LEU A 24 -5.402 -9.559 5.268 1.00 51.11 C ATOM 393 C LEU A 24 -4.899 -9.939 3.862 1.00 73.21 C ATOM 394 O LEU A 24 -5.444 -10.846 3.236 1.00 24.44 O ATOM 395 CB LEU A 24 -6.252 -8.253 5.210 1.00 15.11 C ATOM 396 CG LEU A 24 -6.971 -7.863 6.540 1.00 35.42 C ATOM 397 CD1 LEU A 24 -7.654 -6.485 6.433 1.00 1.11 C ATOM 398 CD2 LEU A 24 -7.970 -8.954 6.981 1.00 24.30 C ATOM 0 H LEU A 24 -4.119 -8.440 6.507 1.00 2.43 H new ATOM 0 HA LEU A 24 -6.034 -10.372 5.626 1.00 51.11 H new ATOM 0 HB2 LEU A 24 -5.602 -7.430 4.913 1.00 15.11 H new ATOM 0 HB3 LEU A 24 -7.004 -8.363 4.429 1.00 15.11 H new ATOM 0 HG LEU A 24 -6.206 -7.787 7.312 1.00 35.42 H new ATOM 0 HD11 LEU A 24 -8.144 -6.247 7.377 1.00 1.11 H new ATOM 0 HD12 LEU A 24 -6.906 -5.724 6.211 1.00 1.11 H new ATOM 0 HD13 LEU A 24 -8.396 -6.508 5.635 1.00 1.11 H new ATOM 0 HD21 LEU A 24 -8.453 -8.651 7.910 1.00 24.30 H new ATOM 0 HD22 LEU A 24 -8.725 -9.090 6.207 1.00 24.30 H new ATOM 0 HD23 LEU A 24 -7.438 -9.892 7.138 1.00 24.30 H new ATOM 410 N ALA A 25 -3.829 -9.254 3.400 1.00 50.54 N ATOM 411 CA ALA A 25 -3.192 -9.513 2.089 1.00 74.35 C ATOM 412 C ALA A 25 -2.651 -10.948 2.036 1.00 51.13 C ATOM 413 O ALA A 25 -2.805 -11.658 1.037 1.00 33.22 O ATOM 414 CB ALA A 25 -2.049 -8.509 1.838 1.00 62.02 C ATOM 0 H ALA A 25 -3.382 -8.504 3.927 1.00 50.54 H new ATOM 0 HA ALA A 25 -3.944 -9.389 1.309 1.00 74.35 H new ATOM 0 HB1 ALA A 25 -1.591 -8.713 0.870 1.00 62.02 H new ATOM 0 HB2 ALA A 25 -2.448 -7.495 1.844 1.00 62.02 H new ATOM 0 HB3 ALA A 25 -1.299 -8.608 2.622 1.00 62.02 H new ATOM 420 N GLN A 26 -2.039 -11.358 3.154 1.00 20.13 N ATOM 421 CA GLN A 26 -1.480 -12.700 3.335 1.00 50.33 C ATOM 422 C GLN A 26 -2.598 -13.761 3.413 1.00 12.00 C ATOM 423 O GLN A 26 -2.430 -14.883 2.936 1.00 74.50 O ATOM 424 CB GLN A 26 -0.601 -12.717 4.610 1.00 23.20 C ATOM 425 CG GLN A 26 0.186 -14.020 4.834 1.00 61.24 C ATOM 426 CD GLN A 26 1.120 -13.987 6.044 1.00 61.11 C ATOM 427 OE1 GLN A 26 2.177 -14.620 6.033 1.00 41.25 O ATOM 428 NE2 GLN A 26 0.739 -13.285 7.108 1.00 4.20 N ATOM 0 H GLN A 26 -1.917 -10.757 3.969 1.00 20.13 H new ATOM 0 HA GLN A 26 -0.861 -12.950 2.473 1.00 50.33 H new ATOM 0 HB2 GLN A 26 0.104 -11.887 4.559 1.00 23.20 H new ATOM 0 HB3 GLN A 26 -1.239 -12.541 5.476 1.00 23.20 H new ATOM 0 HG2 GLN A 26 -0.520 -14.841 4.956 1.00 61.24 H new ATOM 0 HG3 GLN A 26 0.773 -14.235 3.941 1.00 61.24 H new ATOM 0 HE21 GLN A 26 -0.141 -12.770 7.091 1.00 4.20 H new ATOM 0 HE22 GLN A 26 1.327 -13.262 7.941 1.00 4.20 H new ATOM 437 N ARG A 27 -3.743 -13.372 3.994 1.00 52.42 N ATOM 438 CA ARG A 27 -4.935 -14.243 4.128 1.00 43.43 C ATOM 439 C ARG A 27 -5.737 -14.307 2.806 1.00 63.10 C ATOM 440 O ARG A 27 -6.680 -15.096 2.696 1.00 4.51 O ATOM 441 CB ARG A 27 -5.847 -13.731 5.309 1.00 51.02 C ATOM 442 CG ARG A 27 -6.012 -14.711 6.489 1.00 5.20 C ATOM 443 CD ARG A 27 -6.715 -16.017 6.076 1.00 2.05 C ATOM 444 NE ARG A 27 -8.060 -15.777 5.506 1.00 70.33 N ATOM 445 CZ ARG A 27 -9.204 -16.334 5.943 1.00 35.33 C ATOM 446 NH1 ARG A 27 -9.203 -17.194 6.957 1.00 25.14 N ATOM 447 NH2 ARG A 27 -10.346 -16.037 5.350 1.00 52.14 N ATOM 0 H ARG A 27 -3.875 -12.441 4.388 1.00 52.42 H new ATOM 0 HA ARG A 27 -4.596 -15.254 4.355 1.00 43.43 H new ATOM 0 HB2 ARG A 27 -5.431 -12.798 5.689 1.00 51.02 H new ATOM 0 HB3 ARG A 27 -6.834 -13.500 4.909 1.00 51.02 H new ATOM 0 HG2 ARG A 27 -5.031 -14.945 6.903 1.00 5.20 H new ATOM 0 HG3 ARG A 27 -6.585 -14.228 7.281 1.00 5.20 H new ATOM 0 HD2 ARG A 27 -6.101 -16.541 5.344 1.00 2.05 H new ATOM 0 HD3 ARG A 27 -6.802 -16.670 6.944 1.00 2.05 H new ATOM 0 HE ARG A 27 -8.125 -15.136 4.716 1.00 70.33 H new ATOM 0 HH11 ARG A 27 -8.326 -17.440 7.416 1.00 25.14 H new ATOM 0 HH12 ARG A 27 -10.079 -17.607 7.276 1.00 25.14 H new ATOM 0 HH21 ARG A 27 -10.359 -15.387 4.564 1.00 52.14 H new ATOM 0 HH22 ARG A 27 -11.216 -16.457 5.678 1.00 52.14 H new ATOM 461 N GLY A 28 -5.364 -13.461 1.824 1.00 63.22 N ATOM 462 CA GLY A 28 -6.049 -13.405 0.531 1.00 63.24 C ATOM 463 C GLY A 28 -7.328 -12.584 0.574 1.00 12.31 C ATOM 464 O GLY A 28 -8.110 -12.597 -0.383 1.00 35.32 O ATOM 0 H GLY A 28 -4.587 -12.806 1.910 1.00 63.22 H new ATOM 0 HA2 GLY A 28 -5.375 -12.980 -0.213 1.00 63.24 H new ATOM 0 HA3 GLY A 28 -6.285 -14.418 0.206 1.00 63.24 H new ATOM 468 N GLU A 29 -7.544 -11.879 1.692 1.00 42.21 N ATOM 469 CA GLU A 29 -8.680 -10.973 1.875 1.00 13.53 C ATOM 470 C GLU A 29 -8.391 -9.678 1.108 1.00 14.40 C ATOM 471 O GLU A 29 -7.909 -8.709 1.688 1.00 13.12 O ATOM 472 CB GLU A 29 -8.908 -10.665 3.390 1.00 21.21 C ATOM 473 CG GLU A 29 -8.872 -11.874 4.336 1.00 30.13 C ATOM 474 CD GLU A 29 -9.909 -12.952 4.007 1.00 25.34 C ATOM 475 OE1 GLU A 29 -11.101 -12.762 4.333 1.00 45.32 O ATOM 476 OE2 GLU A 29 -9.543 -13.993 3.416 1.00 40.31 O ATOM 0 H GLU A 29 -6.927 -11.924 2.503 1.00 42.21 H new ATOM 0 HA GLU A 29 -9.587 -11.442 1.494 1.00 13.53 H new ATOM 0 HB2 GLU A 29 -8.149 -9.953 3.714 1.00 21.21 H new ATOM 0 HB3 GLU A 29 -9.874 -10.172 3.499 1.00 21.21 H new ATOM 0 HG2 GLU A 29 -7.877 -12.319 4.303 1.00 30.13 H new ATOM 0 HG3 GLU A 29 -9.033 -11.529 5.357 1.00 30.13 H new ATOM 483 N TRP A 30 -8.627 -9.704 -0.211 1.00 14.30 N ATOM 484 CA TRP A 30 -8.330 -8.573 -1.106 1.00 63.43 C ATOM 485 C TRP A 30 -9.312 -7.430 -0.889 1.00 1.40 C ATOM 486 O TRP A 30 -8.915 -6.278 -0.887 1.00 40.41 O ATOM 487 CB TRP A 30 -8.343 -9.020 -2.588 1.00 52.31 C ATOM 488 CG TRP A 30 -7.444 -10.198 -2.883 1.00 64.53 C ATOM 489 CD1 TRP A 30 -7.783 -11.352 -3.542 1.00 44.33 C ATOM 490 CD2 TRP A 30 -6.063 -10.346 -2.505 1.00 23.44 C ATOM 491 NE1 TRP A 30 -6.700 -12.190 -3.605 1.00 24.03 N ATOM 492 CE2 TRP A 30 -5.640 -11.597 -2.973 1.00 42.33 C ATOM 493 CE3 TRP A 30 -5.146 -9.533 -1.822 1.00 62.41 C ATOM 494 CZ2 TRP A 30 -4.346 -12.053 -2.785 1.00 14.21 C ATOM 495 CZ3 TRP A 30 -3.868 -9.991 -1.624 1.00 3.21 C ATOM 496 CH2 TRP A 30 -3.479 -11.241 -2.104 1.00 31.11 C ATOM 0 H TRP A 30 -9.030 -10.510 -0.690 1.00 14.30 H new ATOM 0 HA TRP A 30 -7.329 -8.215 -0.864 1.00 63.43 H new ATOM 0 HB2 TRP A 30 -9.364 -9.276 -2.871 1.00 52.31 H new ATOM 0 HB3 TRP A 30 -8.040 -8.180 -3.213 1.00 52.31 H new ATOM 0 HD1 TRP A 30 -8.759 -11.569 -3.951 1.00 44.33 H new ATOM 0 HE1 TRP A 30 -6.686 -13.107 -4.051 1.00 24.03 H new ATOM 0 HE3 TRP A 30 -5.442 -8.560 -1.457 1.00 62.41 H new ATOM 0 HZ2 TRP A 30 -4.032 -13.015 -3.162 1.00 14.21 H new ATOM 0 HZ3 TRP A 30 -3.156 -9.378 -1.091 1.00 3.21 H new ATOM 0 HH2 TRP A 30 -2.467 -11.578 -1.934 1.00 31.11 H new ATOM 507 N ASP A 31 -10.591 -7.774 -0.696 1.00 33.35 N ATOM 508 CA ASP A 31 -11.656 -6.784 -0.450 1.00 15.14 C ATOM 509 C ASP A 31 -11.396 -6.033 0.868 1.00 24.32 C ATOM 510 O ASP A 31 -11.558 -4.811 0.937 1.00 51.44 O ATOM 511 CB ASP A 31 -13.043 -7.476 -0.419 1.00 35.24 C ATOM 512 CG ASP A 31 -13.375 -8.206 -1.734 1.00 64.50 C ATOM 513 OD1 ASP A 31 -13.594 -7.534 -2.761 1.00 1.12 O ATOM 514 OD2 ASP A 31 -13.413 -9.453 -1.751 1.00 2.42 O ATOM 0 H ASP A 31 -10.919 -8.740 -0.705 1.00 33.35 H new ATOM 0 HA ASP A 31 -11.652 -6.060 -1.265 1.00 15.14 H new ATOM 0 HB2 ASP A 31 -13.070 -8.190 0.404 1.00 35.24 H new ATOM 0 HB3 ASP A 31 -13.812 -6.730 -0.219 1.00 35.24 H new ATOM 519 N LEU A 32 -10.956 -6.795 1.891 1.00 34.44 N ATOM 520 CA LEU A 32 -10.622 -6.259 3.224 1.00 63.01 C ATOM 521 C LEU A 32 -9.276 -5.499 3.196 1.00 4.31 C ATOM 522 O LEU A 32 -9.106 -4.516 3.919 1.00 22.32 O ATOM 523 CB LEU A 32 -10.588 -7.404 4.273 1.00 64.34 C ATOM 524 CG LEU A 32 -11.900 -8.238 4.421 1.00 42.24 C ATOM 525 CD1 LEU A 32 -11.759 -9.334 5.500 1.00 13.03 C ATOM 526 CD2 LEU A 32 -13.116 -7.333 4.704 1.00 11.21 C ATOM 0 H LEU A 32 -10.822 -7.803 1.814 1.00 34.44 H new ATOM 0 HA LEU A 32 -11.398 -5.550 3.511 1.00 63.01 H new ATOM 0 HB2 LEU A 32 -9.777 -8.084 4.013 1.00 64.34 H new ATOM 0 HB3 LEU A 32 -10.344 -6.973 5.244 1.00 64.34 H new ATOM 0 HG LEU A 32 -12.073 -8.736 3.467 1.00 42.24 H new ATOM 0 HD11 LEU A 32 -12.692 -9.893 5.574 1.00 13.03 H new ATOM 0 HD12 LEU A 32 -10.950 -10.012 5.227 1.00 13.03 H new ATOM 0 HD13 LEU A 32 -11.536 -8.871 6.461 1.00 13.03 H new ATOM 0 HD21 LEU A 32 -14.012 -7.947 4.801 1.00 11.21 H new ATOM 0 HD22 LEU A 32 -12.952 -6.782 5.630 1.00 11.21 H new ATOM 0 HD23 LEU A 32 -13.246 -6.630 3.881 1.00 11.21 H new ATOM 538 N LEU A 33 -8.336 -5.965 2.348 1.00 10.12 N ATOM 539 CA LEU A 33 -7.039 -5.292 2.103 1.00 42.15 C ATOM 540 C LEU A 33 -7.273 -3.884 1.537 1.00 20.13 C ATOM 541 O LEU A 33 -6.733 -2.909 2.048 1.00 41.42 O ATOM 542 CB LEU A 33 -6.177 -6.116 1.100 1.00 42.12 C ATOM 543 CG LEU A 33 -4.860 -5.436 0.587 1.00 2.30 C ATOM 544 CD1 LEU A 33 -3.858 -5.215 1.729 1.00 62.23 C ATOM 545 CD2 LEU A 33 -4.226 -6.226 -0.573 1.00 74.34 C ATOM 0 H LEU A 33 -8.454 -6.823 1.810 1.00 10.12 H new ATOM 0 HA LEU A 33 -6.507 -5.218 3.052 1.00 42.15 H new ATOM 0 HB2 LEU A 33 -5.911 -7.061 1.574 1.00 42.12 H new ATOM 0 HB3 LEU A 33 -6.796 -6.357 0.236 1.00 42.12 H new ATOM 0 HG LEU A 33 -5.135 -4.455 0.199 1.00 2.30 H new ATOM 0 HD11 LEU A 33 -2.958 -4.742 1.337 1.00 62.23 H new ATOM 0 HD12 LEU A 33 -4.306 -4.571 2.486 1.00 62.23 H new ATOM 0 HD13 LEU A 33 -3.598 -6.175 2.176 1.00 62.23 H new ATOM 0 HD21 LEU A 33 -3.316 -5.724 -0.901 1.00 74.34 H new ATOM 0 HD22 LEU A 33 -3.983 -7.234 -0.237 1.00 74.34 H new ATOM 0 HD23 LEU A 33 -4.930 -6.280 -1.404 1.00 74.34 H new ATOM 557 N LEU A 34 -8.108 -3.820 0.484 1.00 31.32 N ATOM 558 CA LEU A 34 -8.420 -2.587 -0.257 1.00 73.11 C ATOM 559 C LEU A 34 -9.325 -1.647 0.570 1.00 41.21 C ATOM 560 O LEU A 34 -9.307 -0.423 0.383 1.00 60.40 O ATOM 561 CB LEU A 34 -9.076 -2.958 -1.604 1.00 34.35 C ATOM 562 CG LEU A 34 -8.185 -3.795 -2.579 1.00 73.21 C ATOM 563 CD1 LEU A 34 -9.006 -4.324 -3.764 1.00 25.32 C ATOM 564 CD2 LEU A 34 -6.954 -2.997 -3.058 1.00 63.14 C ATOM 0 H LEU A 34 -8.593 -4.640 0.119 1.00 31.32 H new ATOM 0 HA LEU A 34 -7.495 -2.043 -0.449 1.00 73.11 H new ATOM 0 HB2 LEU A 34 -9.988 -3.519 -1.402 1.00 34.35 H new ATOM 0 HB3 LEU A 34 -9.372 -2.039 -2.109 1.00 34.35 H new ATOM 0 HG LEU A 34 -7.812 -4.655 -2.022 1.00 73.21 H new ATOM 0 HD11 LEU A 34 -8.360 -4.902 -4.425 1.00 25.32 H new ATOM 0 HD12 LEU A 34 -9.810 -4.961 -3.394 1.00 25.32 H new ATOM 0 HD13 LEU A 34 -9.432 -3.485 -4.315 1.00 25.32 H new ATOM 0 HD21 LEU A 34 -6.361 -3.614 -3.733 1.00 63.14 H new ATOM 0 HD22 LEU A 34 -7.283 -2.099 -3.581 1.00 63.14 H new ATOM 0 HD23 LEU A 34 -6.347 -2.714 -2.198 1.00 63.14 H new ATOM 576 N GLN A 35 -10.102 -2.249 1.486 1.00 51.11 N ATOM 577 CA GLN A 35 -10.917 -1.528 2.480 1.00 21.42 C ATOM 578 C GLN A 35 -10.006 -0.676 3.392 1.00 25.03 C ATOM 579 O GLN A 35 -10.328 0.473 3.718 1.00 44.10 O ATOM 580 CB GLN A 35 -11.726 -2.571 3.315 1.00 32.24 C ATOM 581 CG GLN A 35 -12.558 -2.005 4.490 1.00 25.34 C ATOM 582 CD GLN A 35 -13.680 -1.045 4.082 1.00 41.14 C ATOM 583 OE1 GLN A 35 -14.011 -0.121 4.824 1.00 13.24 O ATOM 584 NE2 GLN A 35 -14.300 -1.266 2.928 1.00 21.25 N ATOM 0 H GLN A 35 -10.183 -3.263 1.558 1.00 51.11 H new ATOM 0 HA GLN A 35 -11.612 -0.854 1.979 1.00 21.42 H new ATOM 0 HB2 GLN A 35 -12.400 -3.101 2.642 1.00 32.24 H new ATOM 0 HB3 GLN A 35 -11.028 -3.308 3.713 1.00 32.24 H new ATOM 0 HG2 GLN A 35 -12.995 -2.838 5.041 1.00 25.34 H new ATOM 0 HG3 GLN A 35 -11.887 -1.486 5.175 1.00 25.34 H new ATOM 0 HE21 GLN A 35 -14.006 -2.039 2.331 1.00 21.25 H new ATOM 0 HE22 GLN A 35 -15.070 -0.663 2.639 1.00 21.25 H new ATOM 593 N GLN A 36 -8.858 -1.260 3.777 1.00 31.15 N ATOM 594 CA GLN A 36 -7.867 -0.605 4.651 1.00 11.50 C ATOM 595 C GLN A 36 -6.834 0.212 3.834 1.00 72.30 C ATOM 596 O GLN A 36 -6.221 1.128 4.375 1.00 33.44 O ATOM 597 CB GLN A 36 -7.147 -1.665 5.528 1.00 64.13 C ATOM 598 CG GLN A 36 -8.086 -2.599 6.316 1.00 21.45 C ATOM 599 CD GLN A 36 -9.059 -1.867 7.244 1.00 1.24 C ATOM 600 OE1 GLN A 36 -8.745 -0.809 7.791 1.00 45.50 O ATOM 601 NE2 GLN A 36 -10.250 -2.422 7.419 1.00 74.44 N ATOM 0 H GLN A 36 -8.590 -2.202 3.491 1.00 31.15 H new ATOM 0 HA GLN A 36 -8.400 0.093 5.297 1.00 11.50 H new ATOM 0 HB2 GLN A 36 -6.508 -2.272 4.887 1.00 64.13 H new ATOM 0 HB3 GLN A 36 -6.495 -1.150 6.233 1.00 64.13 H new ATOM 0 HG2 GLN A 36 -8.657 -3.202 5.610 1.00 21.45 H new ATOM 0 HG3 GLN A 36 -7.483 -3.287 6.909 1.00 21.45 H new ATOM 0 HE21 GLN A 36 -10.478 -3.299 6.951 1.00 74.44 H new ATOM 0 HE22 GLN A 36 -10.939 -1.972 8.022 1.00 74.44 H new ATOM 610 N GLU A 37 -6.656 -0.160 2.539 1.00 35.33 N ATOM 611 CA GLU A 37 -5.727 0.501 1.576 1.00 62.43 C ATOM 612 C GLU A 37 -5.913 2.016 1.570 1.00 43.45 C ATOM 613 O GLU A 37 -4.970 2.768 1.810 1.00 62.33 O ATOM 614 CB GLU A 37 -6.013 -0.015 0.137 1.00 13.25 C ATOM 615 CG GLU A 37 -5.336 0.783 -1.016 1.00 33.12 C ATOM 616 CD GLU A 37 -5.888 0.441 -2.408 1.00 33.54 C ATOM 617 OE1 GLU A 37 -7.136 0.433 -2.558 1.00 73.25 O ATOM 618 OE2 GLU A 37 -5.116 0.269 -3.370 1.00 5.23 O ATOM 0 H GLU A 37 -7.163 -0.942 2.125 1.00 35.33 H new ATOM 0 HA GLU A 37 -4.710 0.262 1.887 1.00 62.43 H new ATOM 0 HB2 GLU A 37 -5.690 -1.054 0.073 1.00 13.25 H new ATOM 0 HB3 GLU A 37 -7.091 -0.006 -0.024 1.00 13.25 H new ATOM 0 HG2 GLU A 37 -5.468 1.850 -0.834 1.00 33.12 H new ATOM 0 HG3 GLU A 37 -4.264 0.587 -1.001 1.00 33.12 H new ATOM 625 N VAL A 38 -7.161 2.423 1.269 1.00 61.40 N ATOM 626 CA VAL A 38 -7.544 3.825 1.108 1.00 4.45 C ATOM 627 C VAL A 38 -7.223 4.628 2.382 1.00 0.40 C ATOM 628 O VAL A 38 -6.587 5.678 2.303 1.00 34.04 O ATOM 629 CB VAL A 38 -9.064 3.951 0.694 1.00 73.32 C ATOM 630 CG1 VAL A 38 -9.294 3.347 -0.715 1.00 54.24 C ATOM 631 CG2 VAL A 38 -10.006 3.282 1.728 1.00 4.42 C ATOM 0 H VAL A 38 -7.936 1.774 1.131 1.00 61.40 H new ATOM 0 HA VAL A 38 -6.955 4.254 0.298 1.00 4.45 H new ATOM 0 HB VAL A 38 -9.307 5.013 0.671 1.00 73.32 H new ATOM 0 HG11 VAL A 38 -10.346 3.442 -0.984 1.00 54.24 H new ATOM 0 HG12 VAL A 38 -8.683 3.880 -1.444 1.00 54.24 H new ATOM 0 HG13 VAL A 38 -9.015 2.293 -0.709 1.00 54.24 H new ATOM 0 HG21 VAL A 38 -11.040 3.393 1.403 1.00 4.42 H new ATOM 0 HG22 VAL A 38 -9.763 2.223 1.810 1.00 4.42 H new ATOM 0 HG23 VAL A 38 -9.878 3.760 2.699 1.00 4.42 H new ATOM 641 N SER A 39 -7.577 4.047 3.547 1.00 4.42 N ATOM 642 CA SER A 39 -7.324 4.636 4.868 1.00 15.34 C ATOM 643 C SER A 39 -5.810 4.826 5.089 1.00 34.11 C ATOM 644 O SER A 39 -5.359 5.897 5.475 1.00 41.34 O ATOM 645 CB SER A 39 -7.914 3.696 5.950 1.00 50.51 C ATOM 646 OG SER A 39 -9.254 3.335 5.641 1.00 40.22 O ATOM 0 H SER A 39 -8.052 3.145 3.592 1.00 4.42 H new ATOM 0 HA SER A 39 -7.799 5.615 4.932 1.00 15.34 H new ATOM 0 HB2 SER A 39 -7.301 2.798 6.029 1.00 50.51 H new ATOM 0 HB3 SER A 39 -7.882 4.190 6.921 1.00 50.51 H new ATOM 0 HG SER A 39 -9.602 2.741 6.338 1.00 40.22 H new ATOM 652 N TYR A 40 -5.057 3.770 4.747 1.00 74.31 N ATOM 653 CA TYR A 40 -3.623 3.629 5.027 1.00 71.23 C ATOM 654 C TYR A 40 -2.774 4.596 4.183 1.00 63.32 C ATOM 655 O TYR A 40 -2.127 5.491 4.741 1.00 15.24 O ATOM 656 CB TYR A 40 -3.241 2.149 4.764 1.00 33.23 C ATOM 657 CG TYR A 40 -1.749 1.826 4.801 1.00 73.55 C ATOM 658 CD1 TYR A 40 -0.982 2.114 5.924 1.00 73.24 C ATOM 659 CD2 TYR A 40 -1.114 1.207 3.713 1.00 32.44 C ATOM 660 CE1 TYR A 40 0.357 1.806 5.962 1.00 44.54 C ATOM 661 CE2 TYR A 40 0.227 0.900 3.752 1.00 74.14 C ATOM 662 CZ TYR A 40 0.956 1.199 4.878 1.00 31.53 C ATOM 663 OH TYR A 40 2.292 0.887 4.922 1.00 64.25 O ATOM 0 H TYR A 40 -5.443 2.966 4.252 1.00 74.31 H new ATOM 0 HA TYR A 40 -3.419 3.891 6.065 1.00 71.23 H new ATOM 0 HB2 TYR A 40 -3.746 1.527 5.504 1.00 33.23 H new ATOM 0 HB3 TYR A 40 -3.631 1.862 3.787 1.00 33.23 H new ATOM 0 HD1 TYR A 40 -1.444 2.586 6.778 1.00 73.24 H new ATOM 0 HD2 TYR A 40 -1.688 0.967 2.830 1.00 32.44 H new ATOM 0 HE1 TYR A 40 0.940 2.039 6.841 1.00 44.54 H new ATOM 0 HE2 TYR A 40 0.702 0.428 2.905 1.00 74.14 H new ATOM 0 HH TYR A 40 2.733 1.433 5.606 1.00 64.25 H new ATOM 673 N LEU A 41 -2.801 4.401 2.846 1.00 21.42 N ATOM 674 CA LEU A 41 -2.008 5.193 1.887 1.00 11.34 C ATOM 675 C LEU A 41 -2.351 6.692 1.991 1.00 70.12 C ATOM 676 O LEU A 41 -1.449 7.524 1.936 1.00 2.12 O ATOM 677 CB LEU A 41 -2.219 4.679 0.432 1.00 74.40 C ATOM 678 CG LEU A 41 -1.732 3.226 0.124 1.00 74.24 C ATOM 679 CD1 LEU A 41 -2.106 2.810 -1.319 1.00 73.05 C ATOM 680 CD2 LEU A 41 -0.213 3.081 0.371 1.00 51.41 C ATOM 0 H LEU A 41 -3.377 3.686 2.402 1.00 21.42 H new ATOM 0 HA LEU A 41 -0.955 5.069 2.142 1.00 11.34 H new ATOM 0 HB2 LEU A 41 -3.283 4.738 0.201 1.00 74.40 H new ATOM 0 HB3 LEU A 41 -1.707 5.361 -0.247 1.00 74.40 H new ATOM 0 HG LEU A 41 -2.244 2.551 0.810 1.00 74.24 H new ATOM 0 HD11 LEU A 41 -1.756 1.795 -1.507 1.00 73.05 H new ATOM 0 HD12 LEU A 41 -3.189 2.849 -1.440 1.00 73.05 H new ATOM 0 HD13 LEU A 41 -1.637 3.493 -2.028 1.00 73.05 H new ATOM 0 HD21 LEU A 41 0.096 2.060 0.148 1.00 51.41 H new ATOM 0 HD22 LEU A 41 0.328 3.773 -0.274 1.00 51.41 H new ATOM 0 HD23 LEU A 41 0.009 3.308 1.414 1.00 51.41 H new ATOM 692 N GLN A 42 -3.657 7.021 2.179 1.00 53.23 N ATOM 693 CA GLN A 42 -4.114 8.422 2.321 1.00 55.43 C ATOM 694 C GLN A 42 -3.562 9.063 3.607 1.00 45.43 C ATOM 695 O GLN A 42 -3.167 10.233 3.584 1.00 11.33 O ATOM 696 CB GLN A 42 -5.656 8.489 2.307 1.00 2.42 C ATOM 697 CG GLN A 42 -6.271 9.905 2.332 1.00 21.45 C ATOM 698 CD GLN A 42 -7.805 9.912 2.365 1.00 2.00 C ATOM 699 OE1 GLN A 42 -8.447 8.935 1.729 1.00 61.31 O flip ATOM 700 NE2 GLN A 42 -8.421 10.810 2.947 1.00 53.12 N flip ATOM 0 H GLN A 42 -4.408 6.333 2.235 1.00 53.23 H new ATOM 0 HA GLN A 42 -3.729 8.987 1.472 1.00 55.43 H new ATOM 0 HB2 GLN A 42 -6.014 7.974 1.416 1.00 2.42 H new ATOM 0 HB3 GLN A 42 -6.032 7.936 3.168 1.00 2.42 H new ATOM 0 HG2 GLN A 42 -5.895 10.439 3.205 1.00 21.45 H new ATOM 0 HG3 GLN A 42 -5.933 10.454 1.453 1.00 21.45 H new ATOM 0 HE21 GLN A 42 -7.910 11.550 3.429 1.00 53.12 H new ATOM 0 HE22 GLN A 42 -9.441 10.812 2.946 1.00 53.12 H new ATOM 709 N SER A 43 -3.533 8.283 4.719 1.00 3.52 N ATOM 710 CA SER A 43 -2.959 8.740 6.005 1.00 65.35 C ATOM 711 C SER A 43 -1.464 9.090 5.861 1.00 1.41 C ATOM 712 O SER A 43 -0.997 10.082 6.431 1.00 20.32 O ATOM 713 CB SER A 43 -3.159 7.687 7.114 1.00 74.11 C ATOM 714 OG SER A 43 -4.522 7.544 7.451 1.00 31.30 O ATOM 0 H SER A 43 -3.902 7.333 4.747 1.00 3.52 H new ATOM 0 HA SER A 43 -3.494 9.645 6.293 1.00 65.35 H new ATOM 0 HB2 SER A 43 -2.763 6.727 6.782 1.00 74.11 H new ATOM 0 HB3 SER A 43 -2.593 7.977 7.999 1.00 74.11 H new ATOM 0 HG SER A 43 -4.971 6.997 6.773 1.00 31.30 H new ATOM 720 N ILE A 44 -0.733 8.269 5.080 1.00 62.50 N ATOM 721 CA ILE A 44 0.691 8.504 4.784 1.00 73.10 C ATOM 722 C ILE A 44 0.868 9.827 3.995 1.00 13.31 C ATOM 723 O ILE A 44 1.689 10.688 4.358 1.00 21.31 O ATOM 724 CB ILE A 44 1.305 7.313 3.956 1.00 15.54 C ATOM 725 CG1 ILE A 44 1.156 5.955 4.716 1.00 70.55 C ATOM 726 CG2 ILE A 44 2.781 7.594 3.610 1.00 12.04 C ATOM 727 CD1 ILE A 44 1.650 4.732 3.951 1.00 31.15 C ATOM 0 H ILE A 44 -1.112 7.430 4.640 1.00 62.50 H new ATOM 0 HA ILE A 44 1.219 8.575 5.735 1.00 73.10 H new ATOM 0 HB ILE A 44 0.746 7.230 3.024 1.00 15.54 H new ATOM 0 HG12 ILE A 44 1.701 6.021 5.658 1.00 70.55 H new ATOM 0 HG13 ILE A 44 0.105 5.809 4.966 1.00 70.55 H new ATOM 0 HG21 ILE A 44 3.186 6.759 3.038 1.00 12.04 H new ATOM 0 HG22 ILE A 44 2.848 8.506 3.017 1.00 12.04 H new ATOM 0 HG23 ILE A 44 3.354 7.715 4.530 1.00 12.04 H new ATOM 0 HD11 ILE A 44 1.505 3.839 4.559 1.00 31.15 H new ATOM 0 HD12 ILE A 44 1.089 4.633 3.022 1.00 31.15 H new ATOM 0 HD13 ILE A 44 2.710 4.848 3.724 1.00 31.15 H new ATOM 739 N GLU A 45 0.053 9.972 2.935 1.00 1.13 N ATOM 740 CA GLU A 45 0.076 11.143 2.037 1.00 31.21 C ATOM 741 C GLU A 45 -0.200 12.451 2.806 1.00 4.43 C ATOM 742 O GLU A 45 0.492 13.441 2.588 1.00 53.24 O ATOM 743 CB GLU A 45 -0.953 10.957 0.880 1.00 61.35 C ATOM 744 CG GLU A 45 -0.619 9.795 -0.086 1.00 20.30 C ATOM 745 CD GLU A 45 -1.730 9.538 -1.120 1.00 45.22 C ATOM 746 OE1 GLU A 45 -1.603 9.953 -2.292 1.00 12.10 O ATOM 747 OE2 GLU A 45 -2.747 8.920 -0.761 1.00 13.00 O ATOM 0 H GLU A 45 -0.645 9.276 2.675 1.00 1.13 H new ATOM 0 HA GLU A 45 1.076 11.219 1.610 1.00 31.21 H new ATOM 0 HB2 GLU A 45 -1.939 10.784 1.310 1.00 61.35 H new ATOM 0 HB3 GLU A 45 -1.012 11.884 0.309 1.00 61.35 H new ATOM 0 HG2 GLU A 45 0.311 10.019 -0.608 1.00 20.30 H new ATOM 0 HG3 GLU A 45 -0.450 8.886 0.492 1.00 20.30 H new ATOM 754 N THR A 46 -1.180 12.425 3.734 1.00 3.15 N ATOM 755 CA THR A 46 -1.637 13.640 4.442 1.00 64.11 C ATOM 756 C THR A 46 -0.656 14.068 5.566 1.00 73.45 C ATOM 757 O THR A 46 -0.456 15.273 5.772 1.00 31.13 O ATOM 758 CB THR A 46 -3.102 13.487 4.991 1.00 23.32 C ATOM 759 OG1 THR A 46 -3.548 14.722 5.570 1.00 73.12 O ATOM 760 CG2 THR A 46 -3.243 12.372 6.033 1.00 40.03 C ATOM 0 H THR A 46 -1.671 11.575 4.011 1.00 3.15 H new ATOM 0 HA THR A 46 -1.648 14.440 3.702 1.00 64.11 H new ATOM 0 HB THR A 46 -3.720 13.218 4.134 1.00 23.32 H new ATOM 0 HG1 THR A 46 -4.462 14.614 5.907 1.00 73.12 H new ATOM 0 HG21 THR A 46 -4.278 12.319 6.371 1.00 40.03 H new ATOM 0 HG22 THR A 46 -2.958 11.419 5.587 1.00 40.03 H new ATOM 0 HG23 THR A 46 -2.594 12.584 6.883 1.00 40.03 H new ATOM 768 N VAL A 47 -0.018 13.096 6.275 1.00 74.23 N ATOM 769 CA VAL A 47 1.008 13.427 7.306 1.00 12.10 C ATOM 770 C VAL A 47 2.282 14.000 6.640 1.00 42.02 C ATOM 771 O VAL A 47 2.992 14.816 7.239 1.00 1.54 O ATOM 772 CB VAL A 47 1.385 12.210 8.243 1.00 33.41 C ATOM 773 CG1 VAL A 47 0.159 11.705 9.024 1.00 63.12 C ATOM 774 CG2 VAL A 47 2.054 11.060 7.461 1.00 61.21 C ATOM 0 H VAL A 47 -0.190 12.098 6.156 1.00 74.23 H new ATOM 0 HA VAL A 47 0.554 14.181 7.949 1.00 12.10 H new ATOM 0 HB VAL A 47 2.116 12.579 8.962 1.00 33.41 H new ATOM 0 HG11 VAL A 47 0.451 10.868 9.659 1.00 63.12 H new ATOM 0 HG12 VAL A 47 -0.235 12.511 9.644 1.00 63.12 H new ATOM 0 HG13 VAL A 47 -0.609 11.378 8.323 1.00 63.12 H new ATOM 0 HG21 VAL A 47 2.295 10.247 8.145 1.00 61.21 H new ATOM 0 HG22 VAL A 47 1.371 10.697 6.692 1.00 61.21 H new ATOM 0 HG23 VAL A 47 2.969 11.423 6.992 1.00 61.21 H new ATOM 784 N MET A 48 2.553 13.559 5.397 1.00 33.15 N ATOM 785 CA MET A 48 3.680 14.064 4.589 1.00 24.51 C ATOM 786 C MET A 48 3.311 15.335 3.814 1.00 64.23 C ATOM 787 O MET A 48 4.200 16.087 3.401 1.00 32.20 O ATOM 788 CB MET A 48 4.178 12.956 3.638 1.00 2.02 C ATOM 789 CG MET A 48 4.874 11.821 4.387 1.00 41.55 C ATOM 790 SD MET A 48 6.342 12.401 5.264 1.00 25.04 S ATOM 791 CE MET A 48 6.992 10.860 5.891 1.00 34.30 C ATOM 0 H MET A 48 1.999 12.844 4.925 1.00 33.15 H new ATOM 0 HA MET A 48 4.487 14.338 5.269 1.00 24.51 H new ATOM 0 HB2 MET A 48 3.334 12.555 3.077 1.00 2.02 H new ATOM 0 HB3 MET A 48 4.868 13.386 2.912 1.00 2.02 H new ATOM 0 HG2 MET A 48 4.179 11.374 5.097 1.00 41.55 H new ATOM 0 HG3 MET A 48 5.156 11.039 3.682 1.00 41.55 H new ATOM 0 HE1 MET A 48 6.999 10.884 6.981 1.00 34.30 H new ATOM 0 HE2 MET A 48 6.366 10.035 5.550 1.00 34.30 H new ATOM 0 HE3 MET A 48 8.009 10.718 5.525 1.00 34.30 H new ATOM 801 N GLU A 49 1.999 15.571 3.632 1.00 51.01 N ATOM 802 CA GLU A 49 1.482 16.828 3.057 1.00 21.12 C ATOM 803 C GLU A 49 1.626 17.954 4.097 1.00 23.31 C ATOM 804 O GLU A 49 1.780 19.131 3.753 1.00 2.40 O ATOM 805 CB GLU A 49 -0.003 16.668 2.616 1.00 22.13 C ATOM 806 CG GLU A 49 -0.559 17.833 1.766 1.00 32.21 C ATOM 807 CD GLU A 49 0.256 18.076 0.477 1.00 42.54 C ATOM 808 OE1 GLU A 49 0.185 17.240 -0.449 1.00 74.25 O ATOM 809 OE2 GLU A 49 0.988 19.085 0.391 1.00 71.43 O ATOM 0 H GLU A 49 1.270 14.901 3.877 1.00 51.01 H new ATOM 0 HA GLU A 49 2.061 17.081 2.169 1.00 21.12 H new ATOM 0 HB2 GLU A 49 -0.100 15.744 2.047 1.00 22.13 H new ATOM 0 HB3 GLU A 49 -0.622 16.560 3.507 1.00 22.13 H new ATOM 0 HG2 GLU A 49 -1.595 17.621 1.501 1.00 32.21 H new ATOM 0 HG3 GLU A 49 -0.563 18.744 2.365 1.00 32.21 H new ATOM 816 N LYS A 50 1.591 17.545 5.378 1.00 74.23 N ATOM 817 CA LYS A 50 1.874 18.408 6.533 1.00 72.33 C ATOM 818 C LYS A 50 3.377 18.805 6.572 1.00 53.31 C ATOM 819 O LYS A 50 3.759 19.723 7.308 1.00 53.33 O ATOM 820 CB LYS A 50 1.468 17.659 7.840 1.00 10.12 C ATOM 821 CG LYS A 50 1.355 18.543 9.102 1.00 2.21 C ATOM 822 CD LYS A 50 0.227 19.590 8.964 1.00 4.13 C ATOM 823 CE LYS A 50 0.071 20.474 10.200 1.00 43.21 C ATOM 824 NZ LYS A 50 -1.088 21.393 10.071 1.00 64.05 N ATOM 0 H LYS A 50 1.361 16.587 5.642 1.00 74.23 H new ATOM 0 HA LYS A 50 1.293 19.326 6.446 1.00 72.33 H new ATOM 0 HB2 LYS A 50 0.509 17.168 7.674 1.00 10.12 H new ATOM 0 HB3 LYS A 50 2.200 16.874 8.031 1.00 10.12 H new ATOM 0 HG2 LYS A 50 1.164 17.914 9.972 1.00 2.21 H new ATOM 0 HG3 LYS A 50 2.304 19.050 9.278 1.00 2.21 H new ATOM 0 HD2 LYS A 50 0.429 20.220 8.098 1.00 4.13 H new ATOM 0 HD3 LYS A 50 -0.715 19.076 8.772 1.00 4.13 H new ATOM 0 HE2 LYS A 50 -0.057 19.847 11.083 1.00 43.21 H new ATOM 0 HE3 LYS A 50 0.981 21.054 10.350 1.00 43.21 H new ATOM 0 HZ1 LYS A 50 -1.164 21.978 10.927 1.00 64.05 H new ATOM 0 HZ2 LYS A 50 -0.953 22.007 9.243 1.00 64.05 H new ATOM 0 HZ3 LYS A 50 -1.960 20.838 9.952 1.00 64.05 H new ATOM 838 N GLN A 51 4.205 18.062 5.784 1.00 73.04 N ATOM 839 CA GLN A 51 5.676 18.248 5.668 1.00 34.45 C ATOM 840 C GLN A 51 6.403 17.799 6.969 1.00 14.43 C ATOM 841 O GLN A 51 7.622 17.952 7.094 1.00 51.44 O ATOM 842 CB GLN A 51 6.026 19.719 5.228 1.00 74.12 C ATOM 843 CG GLN A 51 7.519 20.012 4.909 1.00 71.34 C ATOM 844 CD GLN A 51 8.122 19.120 3.811 1.00 70.03 C ATOM 845 OE1 GLN A 51 7.434 18.682 2.886 1.00 32.24 O ATOM 846 NE2 GLN A 51 9.417 18.845 3.900 1.00 12.51 N ATOM 0 H GLN A 51 3.858 17.301 5.200 1.00 73.04 H new ATOM 0 HA GLN A 51 6.050 17.599 4.876 1.00 34.45 H new ATOM 0 HB2 GLN A 51 5.435 19.960 4.345 1.00 74.12 H new ATOM 0 HB3 GLN A 51 5.707 20.397 6.020 1.00 74.12 H new ATOM 0 HG2 GLN A 51 7.615 21.055 4.606 1.00 71.34 H new ATOM 0 HG3 GLN A 51 8.103 19.890 5.821 1.00 71.34 H new ATOM 0 HE21 GLN A 51 9.966 19.219 4.674 1.00 12.51 H new ATOM 0 HE22 GLN A 51 9.864 18.260 3.194 1.00 12.51 H new ATOM 855 N THR A 52 5.636 17.146 7.886 1.00 73.24 N ATOM 856 CA THR A 52 6.087 16.771 9.244 1.00 42.01 C ATOM 857 C THR A 52 6.372 18.045 10.101 1.00 25.44 C ATOM 858 O THR A 52 7.341 18.764 9.823 1.00 61.21 O ATOM 859 CB THR A 52 7.323 15.796 9.207 1.00 51.01 C ATOM 860 OG1 THR A 52 6.949 14.567 8.559 1.00 14.23 O ATOM 861 CG2 THR A 52 7.893 15.482 10.601 1.00 41.52 C ATOM 0 H THR A 52 4.675 16.864 7.694 1.00 73.24 H new ATOM 0 HA THR A 52 5.277 16.221 9.724 1.00 42.01 H new ATOM 0 HB THR A 52 8.108 16.307 8.649 1.00 51.01 H new ATOM 0 HG1 THR A 52 7.756 14.079 8.293 1.00 14.23 H new ATOM 0 HG21 THR A 52 8.742 14.805 10.503 1.00 41.52 H new ATOM 0 HG22 THR A 52 8.219 16.407 11.077 1.00 41.52 H new ATOM 0 HG23 THR A 52 7.122 15.011 11.212 1.00 41.52 H new ATOM 869 N PRO A 53 5.514 18.359 11.137 1.00 61.04 N ATOM 870 CA PRO A 53 5.698 19.558 12.006 1.00 72.01 C ATOM 871 C PRO A 53 7.093 19.588 12.688 1.00 53.32 C ATOM 872 O PRO A 53 7.528 18.568 13.201 1.00 53.00 O ATOM 873 CB PRO A 53 4.540 19.440 13.048 1.00 61.03 C ATOM 874 CG PRO A 53 4.084 18.012 12.970 1.00 23.20 C ATOM 875 CD PRO A 53 4.300 17.596 11.533 1.00 52.51 C ATOM 0 HA PRO A 53 5.662 20.488 11.439 1.00 72.01 H new ATOM 0 HB2 PRO A 53 4.886 19.688 14.051 1.00 61.03 H new ATOM 0 HB3 PRO A 53 3.727 20.126 12.812 1.00 61.03 H new ATOM 0 HG2 PRO A 53 4.654 17.380 13.651 1.00 23.20 H new ATOM 0 HG3 PRO A 53 3.035 17.919 13.252 1.00 23.20 H new ATOM 0 HD2 PRO A 53 4.453 16.521 11.444 1.00 52.51 H new ATOM 0 HD3 PRO A 53 3.444 17.849 10.908 1.00 52.51 H new ATOM 883 N PRO A 54 7.826 20.754 12.657 1.00 31.02 N ATOM 884 CA PRO A 54 9.173 20.889 13.291 1.00 52.54 C ATOM 885 C PRO A 54 9.181 20.652 14.821 1.00 53.31 C ATOM 886 O PRO A 54 10.199 20.223 15.385 1.00 33.13 O ATOM 887 CB PRO A 54 9.581 22.352 12.955 1.00 24.34 C ATOM 888 CG PRO A 54 8.756 22.712 11.751 1.00 71.12 C ATOM 889 CD PRO A 54 7.431 22.013 11.962 1.00 70.12 C ATOM 0 HA PRO A 54 9.861 20.132 12.913 1.00 52.54 H new ATOM 0 HB2 PRO A 54 9.376 23.022 13.790 1.00 24.34 H new ATOM 0 HB3 PRO A 54 10.647 22.426 12.741 1.00 24.34 H new ATOM 0 HG2 PRO A 54 8.625 23.791 11.671 1.00 71.12 H new ATOM 0 HG3 PRO A 54 9.235 22.380 10.830 1.00 71.12 H new ATOM 0 HD2 PRO A 54 6.750 22.612 12.567 1.00 70.12 H new ATOM 0 HD3 PRO A 54 6.925 21.812 11.018 1.00 70.12 H new ATOM 897 N GLY A 55 8.036 20.919 15.475 1.00 23.45 N ATOM 898 CA GLY A 55 7.928 20.884 16.939 1.00 24.11 C ATOM 899 C GLY A 55 7.637 19.495 17.492 1.00 21.15 C ATOM 900 O GLY A 55 6.599 19.277 18.138 1.00 12.12 O ATOM 0 H GLY A 55 7.165 21.164 15.003 1.00 23.45 H new ATOM 0 HA2 GLY A 55 8.858 21.252 17.373 1.00 24.11 H new ATOM 0 HA3 GLY A 55 7.137 21.565 17.254 1.00 24.11 H new ATOM 904 N ILE A 56 8.554 18.551 17.226 1.00 63.01 N ATOM 905 CA ILE A 56 8.452 17.158 17.686 1.00 22.12 C ATOM 906 C ILE A 56 9.586 16.880 18.679 1.00 2.11 C ATOM 907 O ILE A 56 10.764 16.896 18.298 1.00 1.34 O ATOM 908 CB ILE A 56 8.526 16.154 16.472 1.00 45.32 C ATOM 909 CG1 ILE A 56 7.407 16.451 15.425 1.00 61.11 C ATOM 910 CG2 ILE A 56 8.468 14.681 16.936 1.00 3.12 C ATOM 911 CD1 ILE A 56 5.998 16.508 15.982 1.00 34.25 C ATOM 0 H ILE A 56 9.395 18.736 16.680 1.00 63.01 H new ATOM 0 HA ILE A 56 7.489 17.013 18.175 1.00 22.12 H new ATOM 0 HB ILE A 56 9.492 16.306 15.991 1.00 45.32 H new ATOM 0 HG12 ILE A 56 7.628 17.403 14.942 1.00 61.11 H new ATOM 0 HG13 ILE A 56 7.443 15.684 14.651 1.00 61.11 H new ATOM 0 HG21 ILE A 56 8.522 14.024 16.068 1.00 3.12 H new ATOM 0 HG22 ILE A 56 9.308 14.475 17.600 1.00 3.12 H new ATOM 0 HG23 ILE A 56 7.533 14.504 17.468 1.00 3.12 H new ATOM 0 HD11 ILE A 56 5.296 16.720 15.175 1.00 34.25 H new ATOM 0 HD12 ILE A 56 5.748 15.550 16.438 1.00 34.25 H new ATOM 0 HD13 ILE A 56 5.935 17.295 16.733 1.00 34.25 H new ATOM 923 N THR A 57 9.227 16.641 19.951 1.00 35.14 N ATOM 924 CA THR A 57 10.197 16.299 21.008 1.00 72.53 C ATOM 925 C THR A 57 10.684 14.850 20.830 1.00 34.32 C ATOM 926 O THR A 57 10.082 14.087 20.073 1.00 63.21 O ATOM 927 CB THR A 57 9.580 16.497 22.435 1.00 73.54 C ATOM 928 OG1 THR A 57 10.579 16.263 23.437 1.00 24.35 O ATOM 929 CG2 THR A 57 8.380 15.575 22.706 1.00 43.54 C ATOM 0 H THR A 57 8.261 16.679 20.276 1.00 35.14 H new ATOM 0 HA THR A 57 11.048 16.974 20.918 1.00 72.53 H new ATOM 0 HB THR A 57 9.222 17.526 22.476 1.00 73.54 H new ATOM 0 HG1 THR A 57 10.187 16.390 24.326 1.00 24.35 H new ATOM 0 HG21 THR A 57 7.998 15.760 23.710 1.00 43.54 H new ATOM 0 HG22 THR A 57 7.595 15.775 21.976 1.00 43.54 H new ATOM 0 HG23 THR A 57 8.695 14.535 22.624 1.00 43.54 H new ATOM 937 N ARG A 58 11.725 14.465 21.590 1.00 25.12 N ATOM 938 CA ARG A 58 12.420 13.171 21.414 1.00 70.42 C ATOM 939 C ARG A 58 11.502 11.979 21.763 1.00 22.11 C ATOM 940 O ARG A 58 11.699 10.884 21.246 1.00 2.44 O ATOM 941 CB ARG A 58 13.742 13.162 22.259 1.00 34.10 C ATOM 942 CG ARG A 58 13.589 13.513 23.768 1.00 13.45 C ATOM 943 CD ARG A 58 13.133 12.334 24.655 1.00 0.45 C ATOM 944 NE ARG A 58 12.640 12.768 25.973 1.00 21.32 N ATOM 945 CZ ARG A 58 11.872 12.019 26.789 1.00 20.50 C ATOM 946 NH1 ARG A 58 11.508 10.785 26.441 1.00 40.03 N ATOM 947 NH2 ARG A 58 11.475 12.499 27.951 1.00 10.54 N ATOM 0 H ARG A 58 12.109 15.038 22.342 1.00 25.12 H new ATOM 0 HA ARG A 58 12.684 13.055 20.363 1.00 70.42 H new ATOM 0 HB2 ARG A 58 14.194 12.173 22.180 1.00 34.10 H new ATOM 0 HB3 ARG A 58 14.441 13.868 21.811 1.00 34.10 H new ATOM 0 HG2 ARG A 58 14.544 13.884 24.141 1.00 13.45 H new ATOM 0 HG3 ARG A 58 12.870 14.326 23.868 1.00 13.45 H new ATOM 0 HD2 ARG A 58 12.346 11.782 24.141 1.00 0.45 H new ATOM 0 HD3 ARG A 58 13.967 11.645 24.793 1.00 0.45 H new ATOM 0 HE ARG A 58 12.898 13.702 26.291 1.00 21.32 H new ATOM 0 HH11 ARG A 58 11.811 10.397 25.548 1.00 40.03 H new ATOM 0 HH12 ARG A 58 10.927 10.229 27.068 1.00 40.03 H new ATOM 0 HH21 ARG A 58 11.749 13.440 28.235 1.00 10.54 H new ATOM 0 HH22 ARG A 58 10.894 11.930 28.566 1.00 10.54 H new ATOM 961 N SER A 59 10.498 12.217 22.636 1.00 3.24 N ATOM 962 CA SER A 59 9.552 11.179 23.087 1.00 23.02 C ATOM 963 C SER A 59 8.516 10.864 21.988 1.00 64.55 C ATOM 964 O SER A 59 8.233 9.695 21.713 1.00 44.04 O ATOM 965 CB SER A 59 8.855 11.643 24.382 1.00 60.34 C ATOM 966 OG SER A 59 7.998 10.639 24.902 1.00 74.14 O ATOM 0 H SER A 59 10.323 13.134 23.046 1.00 3.24 H new ATOM 0 HA SER A 59 10.104 10.262 23.291 1.00 23.02 H new ATOM 0 HB2 SER A 59 9.607 11.903 25.128 1.00 60.34 H new ATOM 0 HB3 SER A 59 8.279 12.546 24.182 1.00 60.34 H new ATOM 0 HG SER A 59 7.573 10.964 25.723 1.00 74.14 H new ATOM 972 N ILE A 60 7.977 11.931 21.364 1.00 34.30 N ATOM 973 CA ILE A 60 7.019 11.825 20.243 1.00 61.54 C ATOM 974 C ILE A 60 7.726 11.237 19.014 1.00 64.14 C ATOM 975 O ILE A 60 7.199 10.345 18.351 1.00 13.14 O ATOM 976 CB ILE A 60 6.396 13.234 19.905 1.00 75.11 C ATOM 977 CG1 ILE A 60 5.585 13.766 21.127 1.00 43.33 C ATOM 978 CG2 ILE A 60 5.519 13.183 18.628 1.00 14.55 C ATOM 979 CD1 ILE A 60 5.064 15.181 20.988 1.00 53.24 C ATOM 0 H ILE A 60 8.194 12.893 21.623 1.00 34.30 H new ATOM 0 HA ILE A 60 6.205 11.161 20.536 1.00 61.54 H new ATOM 0 HB ILE A 60 7.213 13.926 19.700 1.00 75.11 H new ATOM 0 HG12 ILE A 60 4.740 13.100 21.300 1.00 43.33 H new ATOM 0 HG13 ILE A 60 6.218 13.714 22.013 1.00 43.33 H new ATOM 0 HG21 ILE A 60 5.108 14.173 18.429 1.00 14.55 H new ATOM 0 HG22 ILE A 60 6.128 12.866 17.781 1.00 14.55 H new ATOM 0 HG23 ILE A 60 4.704 12.475 18.775 1.00 14.55 H new ATOM 0 HD11 ILE A 60 4.515 15.457 21.888 1.00 53.24 H new ATOM 0 HD12 ILE A 60 5.901 15.865 20.850 1.00 53.24 H new ATOM 0 HD13 ILE A 60 4.400 15.241 20.125 1.00 53.24 H new ATOM 991 N GLN A 61 8.941 11.750 18.772 1.00 12.24 N ATOM 992 CA GLN A 61 9.874 11.268 17.743 1.00 11.43 C ATOM 993 C GLN A 61 10.146 9.765 17.899 1.00 5.10 C ATOM 994 O GLN A 61 10.198 9.039 16.911 1.00 12.55 O ATOM 995 CB GLN A 61 11.192 12.074 17.867 1.00 43.30 C ATOM 996 CG GLN A 61 12.321 11.650 16.922 1.00 21.33 C ATOM 997 CD GLN A 61 13.627 12.378 17.201 1.00 24.42 C ATOM 998 OE1 GLN A 61 14.435 11.933 18.011 1.00 54.05 O ATOM 999 NE2 GLN A 61 13.851 13.494 16.535 1.00 13.41 N ATOM 0 H GLN A 61 9.313 12.537 19.304 1.00 12.24 H new ATOM 0 HA GLN A 61 9.434 11.415 16.756 1.00 11.43 H new ATOM 0 HB2 GLN A 61 10.971 13.127 17.690 1.00 43.30 H new ATOM 0 HB3 GLN A 61 11.551 11.992 18.893 1.00 43.30 H new ATOM 0 HG2 GLN A 61 12.482 10.576 17.014 1.00 21.33 H new ATOM 0 HG3 GLN A 61 12.017 11.839 15.892 1.00 21.33 H new ATOM 0 HE21 GLN A 61 13.160 13.838 15.869 1.00 13.41 H new ATOM 0 HE22 GLN A 61 14.716 14.013 16.686 1.00 13.41 H new ATOM 1008 N ASP A 62 10.288 9.325 19.164 1.00 23.34 N ATOM 1009 CA ASP A 62 10.548 7.920 19.518 1.00 24.14 C ATOM 1010 C ASP A 62 9.330 7.030 19.182 1.00 73.24 C ATOM 1011 O ASP A 62 9.487 5.975 18.549 1.00 52.44 O ATOM 1012 CB ASP A 62 10.903 7.821 21.026 1.00 24.30 C ATOM 1013 CG ASP A 62 11.178 6.387 21.502 1.00 73.44 C ATOM 1014 OD1 ASP A 62 10.259 5.735 22.037 1.00 23.40 O ATOM 1015 OD2 ASP A 62 12.312 5.904 21.329 1.00 54.34 O ATOM 0 H ASP A 62 10.225 9.941 19.974 1.00 23.34 H new ATOM 0 HA ASP A 62 11.392 7.559 18.929 1.00 24.14 H new ATOM 0 HB2 ASP A 62 11.781 8.435 21.225 1.00 24.30 H new ATOM 0 HB3 ASP A 62 10.084 8.238 21.611 1.00 24.30 H new ATOM 1020 N MET A 63 8.122 7.480 19.602 1.00 12.32 N ATOM 1021 CA MET A 63 6.861 6.735 19.375 1.00 3.12 C ATOM 1022 C MET A 63 6.641 6.508 17.882 1.00 73.51 C ATOM 1023 O MET A 63 6.477 5.367 17.426 1.00 54.40 O ATOM 1024 CB MET A 63 5.628 7.477 19.968 1.00 43.12 C ATOM 1025 CG MET A 63 5.658 7.678 21.480 1.00 22.21 C ATOM 1026 SD MET A 63 4.109 8.354 22.125 1.00 2.42 S ATOM 1027 CE MET A 63 3.907 9.862 21.171 1.00 42.41 C ATOM 0 H MET A 63 7.996 8.360 20.102 1.00 12.32 H new ATOM 0 HA MET A 63 6.960 5.778 19.887 1.00 3.12 H new ATOM 0 HB2 MET A 63 5.546 8.453 19.489 1.00 43.12 H new ATOM 0 HB3 MET A 63 4.729 6.918 19.709 1.00 43.12 H new ATOM 0 HG2 MET A 63 5.863 6.724 21.965 1.00 22.21 H new ATOM 0 HG3 MET A 63 6.478 8.349 21.737 1.00 22.21 H new ATOM 0 HE1 MET A 63 2.912 10.272 21.345 1.00 42.41 H new ATOM 0 HE2 MET A 63 4.659 10.590 21.477 1.00 42.41 H new ATOM 0 HE3 MET A 63 4.027 9.641 20.111 1.00 42.41 H new ATOM 1037 N VAL A 64 6.686 7.617 17.126 1.00 51.22 N ATOM 1038 CA VAL A 64 6.413 7.604 15.691 1.00 11.30 C ATOM 1039 C VAL A 64 7.542 6.927 14.904 1.00 4.40 C ATOM 1040 O VAL A 64 7.276 6.410 13.846 1.00 63.34 O ATOM 1041 CB VAL A 64 6.120 9.031 15.117 1.00 3.11 C ATOM 1042 CG1 VAL A 64 4.938 9.695 15.870 1.00 4.21 C ATOM 1043 CG2 VAL A 64 7.381 9.917 15.131 1.00 53.14 C ATOM 0 H VAL A 64 6.912 8.540 17.496 1.00 51.22 H new ATOM 0 HA VAL A 64 5.506 7.014 15.564 1.00 11.30 H new ATOM 0 HB VAL A 64 5.825 8.920 14.073 1.00 3.11 H new ATOM 0 HG11 VAL A 64 4.752 10.685 15.454 1.00 4.21 H new ATOM 0 HG12 VAL A 64 4.044 9.081 15.758 1.00 4.21 H new ATOM 0 HG13 VAL A 64 5.185 9.786 16.928 1.00 4.21 H new ATOM 0 HG21 VAL A 64 7.140 10.900 14.726 1.00 53.14 H new ATOM 0 HG22 VAL A 64 7.739 10.025 16.155 1.00 53.14 H new ATOM 0 HG23 VAL A 64 8.158 9.454 14.522 1.00 53.14 H new ATOM 1053 N ALA A 65 8.791 6.920 15.434 1.00 61.33 N ATOM 1054 CA ALA A 65 9.913 6.183 14.807 1.00 1.34 C ATOM 1055 C ALA A 65 9.627 4.673 14.841 1.00 4.31 C ATOM 1056 O ALA A 65 9.953 3.953 13.894 1.00 44.13 O ATOM 1057 CB ALA A 65 11.250 6.498 15.498 1.00 34.51 C ATOM 0 H ALA A 65 9.044 7.414 16.290 1.00 61.33 H new ATOM 0 HA ALA A 65 9.999 6.508 13.770 1.00 1.34 H new ATOM 0 HB1 ALA A 65 12.051 5.940 15.012 1.00 34.51 H new ATOM 0 HB2 ALA A 65 11.455 7.566 15.424 1.00 34.51 H new ATOM 0 HB3 ALA A 65 11.193 6.211 16.548 1.00 34.51 H new ATOM 1063 N GLY A 66 9.008 4.221 15.953 1.00 22.02 N ATOM 1064 CA GLY A 66 8.494 2.857 16.057 1.00 72.25 C ATOM 1065 C GLY A 66 7.392 2.586 15.028 1.00 64.22 C ATOM 1066 O GLY A 66 7.409 1.555 14.356 1.00 22.21 O ATOM 0 H GLY A 66 8.857 4.789 16.787 1.00 22.02 H new ATOM 0 HA2 GLY A 66 9.310 2.149 15.911 1.00 72.25 H new ATOM 0 HA3 GLY A 66 8.103 2.691 17.061 1.00 72.25 H new ATOM 1070 N TYR A 67 6.460 3.555 14.887 1.00 72.32 N ATOM 1071 CA TYR A 67 5.310 3.462 13.955 1.00 72.11 C ATOM 1072 C TYR A 67 5.753 3.491 12.473 1.00 4.55 C ATOM 1073 O TYR A 67 5.120 2.855 11.622 1.00 55.11 O ATOM 1074 CB TYR A 67 4.291 4.603 14.238 1.00 64.24 C ATOM 1075 CG TYR A 67 3.649 4.559 15.640 1.00 63.12 C ATOM 1076 CD1 TYR A 67 3.457 5.721 16.397 1.00 54.30 C ATOM 1077 CD2 TYR A 67 3.240 3.345 16.206 1.00 45.14 C ATOM 1078 CE1 TYR A 67 2.886 5.673 17.656 1.00 14.32 C ATOM 1079 CE2 TYR A 67 2.670 3.296 17.459 1.00 32.22 C ATOM 1080 CZ TYR A 67 2.496 4.456 18.181 1.00 21.03 C ATOM 1081 OH TYR A 67 1.920 4.396 19.431 1.00 3.44 O ATOM 0 H TYR A 67 6.483 4.426 15.417 1.00 72.32 H new ATOM 0 HA TYR A 67 4.829 2.499 14.129 1.00 72.11 H new ATOM 0 HB2 TYR A 67 4.795 5.561 14.114 1.00 64.24 H new ATOM 0 HB3 TYR A 67 3.500 4.560 13.489 1.00 64.24 H new ATOM 0 HD1 TYR A 67 3.761 6.674 15.990 1.00 54.30 H new ATOM 0 HD2 TYR A 67 3.374 2.429 15.649 1.00 45.14 H new ATOM 0 HE1 TYR A 67 2.746 6.580 18.225 1.00 14.32 H new ATOM 0 HE2 TYR A 67 2.360 2.349 17.875 1.00 32.22 H new ATOM 0 HH TYR A 67 1.705 3.465 19.648 1.00 3.44 H new ATOM 1091 N ILE A 68 6.852 4.223 12.185 1.00 40.04 N ATOM 1092 CA ILE A 68 7.424 4.324 10.831 1.00 74.13 C ATOM 1093 C ILE A 68 8.168 3.019 10.506 1.00 33.22 C ATOM 1094 O ILE A 68 8.098 2.528 9.386 1.00 42.30 O ATOM 1095 CB ILE A 68 8.383 5.573 10.642 1.00 53.15 C ATOM 1096 CG1 ILE A 68 7.623 6.915 10.885 1.00 34.31 C ATOM 1097 CG2 ILE A 68 9.025 5.581 9.230 1.00 20.14 C ATOM 1098 CD1 ILE A 68 8.494 8.168 10.869 1.00 61.04 C ATOM 0 H ILE A 68 7.364 4.758 12.886 1.00 40.04 H new ATOM 0 HA ILE A 68 6.598 4.477 10.137 1.00 74.13 H new ATOM 0 HB ILE A 68 9.175 5.483 11.385 1.00 53.15 H new ATOM 0 HG12 ILE A 68 6.850 7.019 10.123 1.00 34.31 H new ATOM 0 HG13 ILE A 68 7.115 6.857 11.848 1.00 34.31 H new ATOM 0 HG21 ILE A 68 9.677 6.449 9.132 1.00 20.14 H new ATOM 0 HG22 ILE A 68 9.609 4.671 9.091 1.00 20.14 H new ATOM 0 HG23 ILE A 68 8.241 5.628 8.474 1.00 20.14 H new ATOM 0 HD11 ILE A 68 7.872 9.046 11.047 1.00 61.04 H new ATOM 0 HD12 ILE A 68 9.251 8.095 11.650 1.00 61.04 H new ATOM 0 HD13 ILE A 68 8.982 8.260 9.899 1.00 61.04 H new ATOM 1110 N LYS A 69 8.839 2.438 11.515 1.00 54.31 N ATOM 1111 CA LYS A 69 9.521 1.143 11.365 1.00 11.44 C ATOM 1112 C LYS A 69 8.492 0.019 11.078 1.00 73.25 C ATOM 1113 O LYS A 69 8.784 -0.914 10.328 1.00 60.45 O ATOM 1114 CB LYS A 69 10.369 0.822 12.624 1.00 12.41 C ATOM 1115 CG LYS A 69 11.257 -0.439 12.481 1.00 61.42 C ATOM 1116 CD LYS A 69 12.176 -0.689 13.701 1.00 3.14 C ATOM 1117 CE LYS A 69 11.399 -0.810 15.020 1.00 55.13 C ATOM 1118 NZ LYS A 69 12.260 -1.259 16.142 1.00 71.42 N ATOM 0 H LYS A 69 8.923 2.847 12.446 1.00 54.31 H new ATOM 0 HA LYS A 69 10.199 1.203 10.514 1.00 11.44 H new ATOM 0 HB2 LYS A 69 11.005 1.678 12.849 1.00 12.41 H new ATOM 0 HB3 LYS A 69 9.701 0.689 13.475 1.00 12.41 H new ATOM 0 HG2 LYS A 69 10.617 -1.309 12.334 1.00 61.42 H new ATOM 0 HG3 LYS A 69 11.872 -0.341 11.587 1.00 61.42 H new ATOM 0 HD2 LYS A 69 12.748 -1.602 13.537 1.00 3.14 H new ATOM 0 HD3 LYS A 69 12.894 0.127 13.782 1.00 3.14 H new ATOM 0 HE2 LYS A 69 10.956 0.155 15.268 1.00 55.13 H new ATOM 0 HE3 LYS A 69 10.577 -1.514 14.892 1.00 55.13 H new ATOM 0 HZ1 LYS A 69 11.692 -1.326 17.010 1.00 71.42 H new ATOM 0 HZ2 LYS A 69 12.662 -2.192 15.919 1.00 71.42 H new ATOM 0 HZ3 LYS A 69 13.030 -0.575 16.284 1.00 71.42 H new ATOM 1132 N GLN A 70 7.272 0.155 11.657 1.00 52.32 N ATOM 1133 CA GLN A 70 6.153 -0.783 11.414 1.00 24.42 C ATOM 1134 C GLN A 70 5.634 -0.649 9.980 1.00 41.12 C ATOM 1135 O GLN A 70 5.542 -1.645 9.264 1.00 52.33 O ATOM 1136 CB GLN A 70 4.982 -0.551 12.405 1.00 31.00 C ATOM 1137 CG GLN A 70 5.327 -0.816 13.875 1.00 43.22 C ATOM 1138 CD GLN A 70 4.157 -0.612 14.838 1.00 41.12 C ATOM 1139 OE1 GLN A 70 2.949 -0.991 14.434 1.00 50.31 O flip ATOM 1140 NE2 GLN A 70 4.350 -0.160 15.970 1.00 62.21 N flip ATOM 0 H GLN A 70 7.040 0.912 12.300 1.00 52.32 H new ATOM 0 HA GLN A 70 6.543 -1.789 11.569 1.00 24.42 H new ATOM 0 HB2 GLN A 70 4.639 0.479 12.306 1.00 31.00 H new ATOM 0 HB3 GLN A 70 4.149 -1.194 12.119 1.00 31.00 H new ATOM 0 HG2 GLN A 70 5.690 -1.839 13.973 1.00 43.22 H new ATOM 0 HG3 GLN A 70 6.145 -0.158 14.169 1.00 43.22 H new ATOM 0 HE21 GLN A 70 5.288 0.123 16.253 1.00 62.21 H new ATOM 0 HE22 GLN A 70 3.571 -0.070 16.623 1.00 62.21 H new ATOM 1149 N THR A 71 5.317 0.600 9.565 1.00 12.14 N ATOM 1150 CA THR A 71 4.721 0.859 8.247 1.00 4.41 C ATOM 1151 C THR A 71 5.697 0.468 7.119 1.00 53.21 C ATOM 1152 O THR A 71 5.265 -0.055 6.111 1.00 55.13 O ATOM 1153 CB THR A 71 4.225 2.345 8.087 1.00 22.25 C ATOM 1154 OG1 THR A 71 3.452 2.486 6.891 1.00 11.04 O ATOM 1155 CG2 THR A 71 5.354 3.381 8.043 1.00 2.21 C ATOM 0 H THR A 71 5.466 1.438 10.127 1.00 12.14 H new ATOM 0 HA THR A 71 3.835 0.230 8.169 1.00 4.41 H new ATOM 0 HB THR A 71 3.628 2.543 8.977 1.00 22.25 H new ATOM 0 HG1 THR A 71 3.284 3.436 6.720 1.00 11.04 H new ATOM 0 HG21 THR A 71 4.929 4.378 7.931 1.00 2.21 H new ATOM 0 HG22 THR A 71 5.928 3.333 8.968 1.00 2.21 H new ATOM 0 HG23 THR A 71 6.009 3.169 7.198 1.00 2.21 H new ATOM 1163 N LEU A 72 7.016 0.675 7.341 1.00 33.15 N ATOM 1164 CA LEU A 72 8.076 0.278 6.387 1.00 23.31 C ATOM 1165 C LEU A 72 8.204 -1.247 6.295 1.00 24.24 C ATOM 1166 O LEU A 72 8.327 -1.787 5.194 1.00 32.31 O ATOM 1167 CB LEU A 72 9.441 0.897 6.795 1.00 21.21 C ATOM 1168 CG LEU A 72 9.569 2.432 6.594 1.00 41.01 C ATOM 1169 CD1 LEU A 72 10.863 2.971 7.231 1.00 13.31 C ATOM 1170 CD2 LEU A 72 9.494 2.789 5.093 1.00 15.42 C ATOM 0 H LEU A 72 7.374 1.121 8.185 1.00 33.15 H new ATOM 0 HA LEU A 72 7.791 0.658 5.406 1.00 23.31 H new ATOM 0 HB2 LEU A 72 9.623 0.670 7.845 1.00 21.21 H new ATOM 0 HB3 LEU A 72 10.228 0.407 6.222 1.00 21.21 H new ATOM 0 HG LEU A 72 8.732 2.912 7.100 1.00 41.01 H new ATOM 0 HD11 LEU A 72 10.925 4.048 7.074 1.00 13.31 H new ATOM 0 HD12 LEU A 72 10.857 2.760 8.300 1.00 13.31 H new ATOM 0 HD13 LEU A 72 11.724 2.487 6.770 1.00 13.31 H new ATOM 0 HD21 LEU A 72 9.585 3.868 4.971 1.00 15.42 H new ATOM 0 HD22 LEU A 72 10.306 2.293 4.560 1.00 15.42 H new ATOM 0 HD23 LEU A 72 8.538 2.458 4.687 1.00 15.42 H new ATOM 1182 N ASP A 73 8.182 -1.918 7.464 1.00 13.44 N ATOM 1183 CA ASP A 73 8.288 -3.388 7.562 1.00 13.40 C ATOM 1184 C ASP A 73 7.140 -4.063 6.800 1.00 42.01 C ATOM 1185 O ASP A 73 7.372 -4.881 5.900 1.00 10.02 O ATOM 1186 CB ASP A 73 8.272 -3.831 9.055 1.00 51.42 C ATOM 1187 CG ASP A 73 8.181 -5.360 9.238 1.00 62.33 C ATOM 1188 OD1 ASP A 73 7.075 -5.884 9.496 1.00 64.10 O ATOM 1189 OD2 ASP A 73 9.211 -6.041 9.105 1.00 23.04 O ATOM 0 H ASP A 73 8.090 -1.455 8.368 1.00 13.44 H new ATOM 0 HA ASP A 73 9.232 -3.696 7.112 1.00 13.40 H new ATOM 0 HB2 ASP A 73 9.175 -3.467 9.544 1.00 51.42 H new ATOM 0 HB3 ASP A 73 7.426 -3.361 9.557 1.00 51.42 H new ATOM 1194 N ASN A 74 5.910 -3.672 7.157 1.00 3.23 N ATOM 1195 CA ASN A 74 4.687 -4.293 6.647 1.00 60.54 C ATOM 1196 C ASN A 74 4.506 -3.996 5.156 1.00 4.35 C ATOM 1197 O ASN A 74 4.103 -4.872 4.409 1.00 15.44 O ATOM 1198 CB ASN A 74 3.452 -3.807 7.453 1.00 15.34 C ATOM 1199 CG ASN A 74 3.549 -4.010 8.977 1.00 15.23 C ATOM 1200 OD1 ASN A 74 4.323 -4.983 9.436 1.00 33.05 O flip ATOM 1201 ND2 ASN A 74 2.943 -3.264 9.746 1.00 70.15 N flip ATOM 0 H ASN A 74 5.737 -2.910 7.813 1.00 3.23 H new ATOM 0 HA ASN A 74 4.777 -5.372 6.770 1.00 60.54 H new ATOM 0 HB2 ASN A 74 3.300 -2.747 7.252 1.00 15.34 H new ATOM 0 HB3 ASN A 74 2.569 -4.331 7.087 1.00 15.34 H new ATOM 0 HD21 ASN A 74 2.352 -2.520 9.375 1.00 70.15 H new ATOM 0 HD22 ASN A 74 3.032 -3.389 10.754 1.00 70.15 H new ATOM 1208 N GLU A 75 4.848 -2.760 4.742 1.00 55.53 N ATOM 1209 CA GLU A 75 4.708 -2.294 3.344 1.00 20.11 C ATOM 1210 C GLU A 75 5.805 -2.877 2.432 1.00 54.10 C ATOM 1211 O GLU A 75 5.601 -3.016 1.222 1.00 5.21 O ATOM 1212 CB GLU A 75 4.691 -0.751 3.332 1.00 42.53 C ATOM 1213 CG GLU A 75 4.433 -0.081 1.980 1.00 15.32 C ATOM 1214 CD GLU A 75 4.141 1.425 2.125 1.00 55.05 C ATOM 1215 OE1 GLU A 75 2.960 1.833 2.030 1.00 61.52 O ATOM 1216 OE2 GLU A 75 5.083 2.203 2.371 1.00 23.13 O ATOM 0 H GLU A 75 5.231 -2.052 5.369 1.00 55.53 H new ATOM 0 HA GLU A 75 3.765 -2.658 2.935 1.00 20.11 H new ATOM 0 HB2 GLU A 75 3.927 -0.413 4.032 1.00 42.53 H new ATOM 0 HB3 GLU A 75 5.649 -0.396 3.711 1.00 42.53 H new ATOM 0 HG2 GLU A 75 5.301 -0.221 1.335 1.00 15.32 H new ATOM 0 HG3 GLU A 75 3.590 -0.568 1.490 1.00 15.32 H new ATOM 1223 N GLN A 76 6.955 -3.239 3.024 1.00 10.41 N ATOM 1224 CA GLN A 76 8.018 -3.992 2.328 1.00 1.01 C ATOM 1225 C GLN A 76 7.535 -5.431 2.064 1.00 14.41 C ATOM 1226 O GLN A 76 7.758 -5.993 0.983 1.00 42.44 O ATOM 1227 CB GLN A 76 9.322 -3.998 3.173 1.00 54.44 C ATOM 1228 CG GLN A 76 10.496 -4.793 2.556 1.00 3.42 C ATOM 1229 CD GLN A 76 11.773 -4.805 3.410 1.00 52.31 C ATOM 1230 OE1 GLN A 76 11.634 -4.772 4.732 1.00 1.10 O flip ATOM 1231 NE2 GLN A 76 12.889 -4.874 2.883 1.00 4.13 N flip ATOM 0 H GLN A 76 7.176 -3.020 3.995 1.00 10.41 H new ATOM 0 HA GLN A 76 8.237 -3.509 1.376 1.00 1.01 H new ATOM 0 HB2 GLN A 76 9.642 -2.968 3.327 1.00 54.44 H new ATOM 0 HB3 GLN A 76 9.098 -4.413 4.156 1.00 54.44 H new ATOM 0 HG2 GLN A 76 10.175 -5.821 2.390 1.00 3.42 H new ATOM 0 HG3 GLN A 76 10.731 -4.371 1.579 1.00 3.42 H new ATOM 0 HE21 GLN A 76 12.972 -4.898 1.867 1.00 4.13 H new ATOM 0 HE22 GLN A 76 13.726 -4.907 3.464 1.00 4.13 H new ATOM 1240 N LEU A 77 6.846 -6.005 3.062 1.00 33.21 N ATOM 1241 CA LEU A 77 6.248 -7.341 2.952 1.00 13.52 C ATOM 1242 C LEU A 77 5.063 -7.322 1.965 1.00 11.41 C ATOM 1243 O LEU A 77 4.853 -8.296 1.250 1.00 55.14 O ATOM 1244 CB LEU A 77 5.824 -7.858 4.350 1.00 44.20 C ATOM 1245 CG LEU A 77 6.984 -8.092 5.366 1.00 72.14 C ATOM 1246 CD1 LEU A 77 6.453 -8.557 6.736 1.00 63.20 C ATOM 1247 CD2 LEU A 77 8.033 -9.078 4.802 1.00 3.33 C ATOM 0 H LEU A 77 6.689 -5.556 3.965 1.00 33.21 H new ATOM 0 HA LEU A 77 6.992 -8.032 2.556 1.00 13.52 H new ATOM 0 HB2 LEU A 77 5.124 -7.144 4.784 1.00 44.20 H new ATOM 0 HB3 LEU A 77 5.284 -8.796 4.222 1.00 44.20 H new ATOM 0 HG LEU A 77 7.481 -7.134 5.520 1.00 72.14 H new ATOM 0 HD11 LEU A 77 7.290 -8.710 7.418 1.00 63.20 H new ATOM 0 HD12 LEU A 77 5.786 -7.798 7.145 1.00 63.20 H new ATOM 0 HD13 LEU A 77 5.907 -9.493 6.616 1.00 63.20 H new ATOM 0 HD21 LEU A 77 8.829 -9.220 5.533 1.00 3.33 H new ATOM 0 HD22 LEU A 77 7.557 -10.036 4.593 1.00 3.33 H new ATOM 0 HD23 LEU A 77 8.454 -8.674 3.882 1.00 3.33 H new ATOM 1259 N LEU A 78 4.327 -6.186 1.910 1.00 31.35 N ATOM 1260 CA LEU A 78 3.256 -5.952 0.915 1.00 42.32 C ATOM 1261 C LEU A 78 3.854 -5.842 -0.486 1.00 41.15 C ATOM 1262 O LEU A 78 3.250 -6.291 -1.451 1.00 11.23 O ATOM 1263 CB LEU A 78 2.482 -4.641 1.215 1.00 43.30 C ATOM 1264 CG LEU A 78 1.615 -4.614 2.501 1.00 2.24 C ATOM 1265 CD1 LEU A 78 1.119 -3.183 2.779 1.00 54.10 C ATOM 1266 CD2 LEU A 78 0.442 -5.622 2.408 1.00 42.10 C ATOM 0 H LEU A 78 4.460 -5.407 2.555 1.00 31.35 H new ATOM 0 HA LEU A 78 2.570 -6.797 0.973 1.00 42.32 H new ATOM 0 HB2 LEU A 78 3.205 -3.827 1.276 1.00 43.30 H new ATOM 0 HB3 LEU A 78 1.834 -4.428 0.365 1.00 43.30 H new ATOM 0 HG LEU A 78 2.233 -4.925 3.343 1.00 2.24 H new ATOM 0 HD11 LEU A 78 0.512 -3.178 3.684 1.00 54.10 H new ATOM 0 HD12 LEU A 78 1.975 -2.521 2.912 1.00 54.10 H new ATOM 0 HD13 LEU A 78 0.519 -2.836 1.938 1.00 54.10 H new ATOM 0 HD21 LEU A 78 -0.147 -5.580 3.324 1.00 42.10 H new ATOM 0 HD22 LEU A 78 -0.190 -5.367 1.558 1.00 42.10 H new ATOM 0 HD23 LEU A 78 0.837 -6.629 2.277 1.00 42.10 H new ATOM 1278 N LYS A 79 5.038 -5.207 -0.575 1.00 74.43 N ATOM 1279 CA LYS A 79 5.730 -4.988 -1.843 1.00 35.13 C ATOM 1280 C LYS A 79 6.022 -6.334 -2.520 1.00 60.20 C ATOM 1281 O LYS A 79 5.616 -6.554 -3.654 1.00 21.42 O ATOM 1282 CB LYS A 79 7.041 -4.202 -1.625 1.00 0.52 C ATOM 1283 CG LYS A 79 7.748 -3.796 -2.934 1.00 73.44 C ATOM 1284 CD LYS A 79 9.104 -3.102 -2.695 1.00 23.14 C ATOM 1285 CE LYS A 79 9.702 -2.526 -3.991 1.00 33.34 C ATOM 1286 NZ LYS A 79 8.806 -1.514 -4.622 1.00 13.23 N ATOM 0 H LYS A 79 5.535 -4.835 0.234 1.00 74.43 H new ATOM 0 HA LYS A 79 5.084 -4.397 -2.492 1.00 35.13 H new ATOM 0 HB2 LYS A 79 6.823 -3.304 -1.047 1.00 0.52 H new ATOM 0 HB3 LYS A 79 7.722 -4.808 -1.028 1.00 0.52 H new ATOM 0 HG2 LYS A 79 7.903 -4.684 -3.547 1.00 73.44 H new ATOM 0 HG3 LYS A 79 7.098 -3.128 -3.499 1.00 73.44 H new ATOM 0 HD2 LYS A 79 8.976 -2.299 -1.969 1.00 23.14 H new ATOM 0 HD3 LYS A 79 9.804 -3.816 -2.261 1.00 23.14 H new ATOM 0 HE2 LYS A 79 10.667 -2.069 -3.772 1.00 33.34 H new ATOM 0 HE3 LYS A 79 9.886 -3.337 -4.696 1.00 33.34 H new ATOM 0 HZ1 LYS A 79 8.423 -1.896 -5.510 1.00 13.23 H new ATOM 0 HZ2 LYS A 79 8.023 -1.291 -3.974 1.00 13.23 H new ATOM 0 HZ3 LYS A 79 9.347 -0.648 -4.822 1.00 13.23 H new ATOM 1300 N GLY A 80 6.688 -7.237 -1.773 1.00 4.23 N ATOM 1301 CA GLY A 80 7.001 -8.580 -2.265 1.00 62.02 C ATOM 1302 C GLY A 80 5.749 -9.413 -2.552 1.00 51.12 C ATOM 1303 O GLY A 80 5.610 -9.972 -3.641 1.00 62.20 O ATOM 0 H GLY A 80 7.017 -7.053 -0.825 1.00 4.23 H new ATOM 0 HA2 GLY A 80 7.595 -8.499 -3.175 1.00 62.02 H new ATOM 0 HA3 GLY A 80 7.616 -9.098 -1.529 1.00 62.02 H new ATOM 1307 N LEU A 81 4.811 -9.413 -1.583 1.00 53.22 N ATOM 1308 CA LEU A 81 3.578 -10.239 -1.607 1.00 23.21 C ATOM 1309 C LEU A 81 2.708 -9.872 -2.822 1.00 61.21 C ATOM 1310 O LEU A 81 2.447 -10.713 -3.686 1.00 53.22 O ATOM 1311 CB LEU A 81 2.817 -10.028 -0.251 1.00 62.35 C ATOM 1312 CG LEU A 81 1.673 -11.038 0.156 1.00 41.44 C ATOM 1313 CD1 LEU A 81 1.348 -10.905 1.661 1.00 40.23 C ATOM 1314 CD2 LEU A 81 0.377 -10.853 -0.672 1.00 53.11 C ATOM 0 H LEU A 81 4.886 -8.832 -0.748 1.00 53.22 H new ATOM 0 HA LEU A 81 3.828 -11.295 -1.710 1.00 23.21 H new ATOM 0 HB2 LEU A 81 3.560 -10.035 0.547 1.00 62.35 H new ATOM 0 HB3 LEU A 81 2.381 -9.029 -0.272 1.00 62.35 H new ATOM 0 HG LEU A 81 2.054 -12.036 -0.059 1.00 41.44 H new ATOM 0 HD11 LEU A 81 0.558 -11.607 1.926 1.00 40.23 H new ATOM 0 HD12 LEU A 81 2.241 -11.125 2.247 1.00 40.23 H new ATOM 0 HD13 LEU A 81 1.016 -9.889 1.873 1.00 40.23 H new ATOM 0 HD21 LEU A 81 -0.370 -11.576 -0.345 1.00 53.11 H new ATOM 0 HD22 LEU A 81 -0.007 -9.843 -0.526 1.00 53.11 H new ATOM 0 HD23 LEU A 81 0.595 -11.009 -1.729 1.00 53.11 H new ATOM 1326 N LEU A 82 2.294 -8.595 -2.876 1.00 73.52 N ATOM 1327 CA LEU A 82 1.388 -8.080 -3.911 1.00 23.33 C ATOM 1328 C LEU A 82 2.065 -8.075 -5.295 1.00 34.34 C ATOM 1329 O LEU A 82 1.372 -8.202 -6.282 1.00 23.41 O ATOM 1330 CB LEU A 82 0.855 -6.667 -3.542 1.00 4.11 C ATOM 1331 CG LEU A 82 0.125 -6.543 -2.167 1.00 60.13 C ATOM 1332 CD1 LEU A 82 -0.341 -5.094 -1.912 1.00 14.40 C ATOM 1333 CD2 LEU A 82 -1.046 -7.538 -2.052 1.00 50.30 C ATOM 0 H LEU A 82 2.581 -7.889 -2.198 1.00 73.52 H new ATOM 0 HA LEU A 82 0.532 -8.753 -3.963 1.00 23.33 H new ATOM 0 HB2 LEU A 82 1.694 -5.972 -3.548 1.00 4.11 H new ATOM 0 HB3 LEU A 82 0.168 -6.345 -4.325 1.00 4.11 H new ATOM 0 HG LEU A 82 0.845 -6.802 -1.391 1.00 60.13 H new ATOM 0 HD11 LEU A 82 -0.846 -5.039 -0.948 1.00 14.40 H new ATOM 0 HD12 LEU A 82 0.523 -4.429 -1.908 1.00 14.40 H new ATOM 0 HD13 LEU A 82 -1.030 -4.789 -2.700 1.00 14.40 H new ATOM 0 HD21 LEU A 82 -1.529 -7.421 -1.082 1.00 50.30 H new ATOM 0 HD22 LEU A 82 -1.769 -7.342 -2.843 1.00 50.30 H new ATOM 0 HD23 LEU A 82 -0.669 -8.556 -2.150 1.00 50.30 H new ATOM 1345 N GLN A 83 3.417 -7.946 -5.351 1.00 71.24 N ATOM 1346 CA GLN A 83 4.177 -8.058 -6.625 1.00 42.51 C ATOM 1347 C GLN A 83 3.996 -9.460 -7.241 1.00 13.23 C ATOM 1348 O GLN A 83 3.766 -9.584 -8.450 1.00 53.22 O ATOM 1349 CB GLN A 83 5.688 -7.785 -6.396 1.00 21.33 C ATOM 1350 CG GLN A 83 6.590 -7.938 -7.643 1.00 55.20 C ATOM 1351 CD GLN A 83 8.086 -7.738 -7.368 1.00 15.23 C ATOM 1352 OE1 GLN A 83 8.553 -8.119 -6.182 1.00 32.21 O flip ATOM 1353 NE2 GLN A 83 8.828 -7.269 -8.232 1.00 72.43 N flip ATOM 0 H GLN A 83 4.000 -7.765 -4.534 1.00 71.24 H new ATOM 0 HA GLN A 83 3.784 -7.309 -7.313 1.00 42.51 H new ATOM 0 HB2 GLN A 83 5.802 -6.772 -6.009 1.00 21.33 H new ATOM 0 HB3 GLN A 83 6.049 -8.464 -5.623 1.00 21.33 H new ATOM 0 HG2 GLN A 83 6.440 -8.931 -8.066 1.00 55.20 H new ATOM 0 HG3 GLN A 83 6.272 -7.219 -8.398 1.00 55.20 H new ATOM 0 HE21 GLN A 83 8.445 -6.984 -9.133 1.00 72.43 H new ATOM 0 HE22 GLN A 83 9.826 -7.165 -8.046 1.00 72.43 H new ATOM 1362 N GLN A 84 4.105 -10.501 -6.383 1.00 32.32 N ATOM 1363 CA GLN A 84 3.881 -11.908 -6.779 1.00 3.31 C ATOM 1364 C GLN A 84 2.463 -12.088 -7.330 1.00 2.13 C ATOM 1365 O GLN A 84 2.275 -12.673 -8.399 1.00 64.53 O ATOM 1366 CB GLN A 84 4.097 -12.857 -5.569 1.00 23.10 C ATOM 1367 CG GLN A 84 5.525 -12.843 -4.990 1.00 11.21 C ATOM 1368 CD GLN A 84 5.696 -13.683 -3.723 1.00 34.11 C ATOM 1369 OE1 GLN A 84 6.506 -13.349 -2.859 1.00 42.13 O ATOM 1370 NE2 GLN A 84 4.969 -14.792 -3.604 1.00 61.14 N ATOM 0 H GLN A 84 4.350 -10.388 -5.399 1.00 32.32 H new ATOM 0 HA GLN A 84 4.601 -12.161 -7.558 1.00 3.31 H new ATOM 0 HB2 GLN A 84 3.396 -12.584 -4.780 1.00 23.10 H new ATOM 0 HB3 GLN A 84 3.853 -13.875 -5.874 1.00 23.10 H new ATOM 0 HG2 GLN A 84 6.217 -13.207 -5.750 1.00 11.21 H new ATOM 0 HG3 GLN A 84 5.806 -11.813 -4.770 1.00 11.21 H new ATOM 0 HE21 GLN A 84 4.304 -15.047 -4.334 1.00 61.14 H new ATOM 0 HE22 GLN A 84 5.077 -15.387 -2.782 1.00 61.14 H new ATOM 1379 N ARG A 85 1.487 -11.519 -6.592 1.00 32.35 N ATOM 1380 CA ARG A 85 0.061 -11.584 -6.946 1.00 35.33 C ATOM 1381 C ARG A 85 -0.193 -10.941 -8.320 1.00 2.30 C ATOM 1382 O ARG A 85 -0.789 -11.567 -9.186 1.00 25.14 O ATOM 1383 CB ARG A 85 -0.800 -10.890 -5.857 1.00 43.42 C ATOM 1384 CG ARG A 85 -0.624 -11.449 -4.424 1.00 51.12 C ATOM 1385 CD ARG A 85 -1.172 -12.881 -4.217 1.00 21.13 C ATOM 1386 NE ARG A 85 -0.296 -13.955 -4.729 1.00 4.34 N ATOM 1387 CZ ARG A 85 -0.084 -15.142 -4.115 1.00 51.33 C ATOM 1388 NH1 ARG A 85 -0.672 -15.425 -2.955 1.00 54.22 N ATOM 1389 NH2 ARG A 85 0.682 -16.048 -4.687 1.00 44.34 N ATOM 0 H ARG A 85 1.670 -11.001 -5.733 1.00 32.35 H new ATOM 0 HA ARG A 85 -0.227 -12.634 -7.003 1.00 35.33 H new ATOM 0 HB2 ARG A 85 -0.558 -9.827 -5.848 1.00 43.42 H new ATOM 0 HB3 ARG A 85 -1.850 -10.976 -6.137 1.00 43.42 H new ATOM 0 HG2 ARG A 85 0.437 -11.441 -4.173 1.00 51.12 H new ATOM 0 HG3 ARG A 85 -1.122 -10.779 -3.723 1.00 51.12 H new ATOM 0 HD2 ARG A 85 -1.337 -13.042 -3.152 1.00 21.13 H new ATOM 0 HD3 ARG A 85 -2.143 -12.958 -4.706 1.00 21.13 H new ATOM 0 HE ARG A 85 0.186 -13.789 -5.613 1.00 4.34 H new ATOM 0 HH11 ARG A 85 -1.292 -14.743 -2.518 1.00 54.22 H new ATOM 0 HH12 ARG A 85 -0.503 -16.324 -2.503 1.00 54.22 H new ATOM 0 HH21 ARG A 85 1.114 -15.854 -5.591 1.00 44.34 H new ATOM 0 HH22 ARG A 85 0.844 -16.944 -4.226 1.00 44.34 H new ATOM 1403 N LEU A 86 0.330 -9.712 -8.501 1.00 5.24 N ATOM 1404 CA LEU A 86 0.183 -8.918 -9.740 1.00 3.53 C ATOM 1405 C LEU A 86 0.829 -9.611 -10.940 1.00 44.15 C ATOM 1406 O LEU A 86 0.328 -9.498 -12.055 1.00 41.24 O ATOM 1407 CB LEU A 86 0.815 -7.509 -9.562 1.00 72.25 C ATOM 1408 CG LEU A 86 0.093 -6.563 -8.565 1.00 44.21 C ATOM 1409 CD1 LEU A 86 0.874 -5.253 -8.377 1.00 45.31 C ATOM 1410 CD2 LEU A 86 -1.358 -6.301 -9.003 1.00 32.21 C ATOM 0 H LEU A 86 0.874 -9.235 -7.782 1.00 5.24 H new ATOM 0 HA LEU A 86 -0.886 -8.822 -9.933 1.00 3.53 H new ATOM 0 HB2 LEU A 86 1.846 -7.634 -9.232 1.00 72.25 H new ATOM 0 HB3 LEU A 86 0.848 -7.021 -10.536 1.00 72.25 H new ATOM 0 HG LEU A 86 0.057 -7.061 -7.596 1.00 44.21 H new ATOM 0 HD11 LEU A 86 0.344 -4.611 -7.674 1.00 45.31 H new ATOM 0 HD12 LEU A 86 1.868 -5.475 -7.988 1.00 45.31 H new ATOM 0 HD13 LEU A 86 0.965 -4.743 -9.336 1.00 45.31 H new ATOM 0 HD21 LEU A 86 -1.840 -5.636 -8.287 1.00 32.21 H new ATOM 0 HD22 LEU A 86 -1.362 -5.837 -9.989 1.00 32.21 H new ATOM 0 HD23 LEU A 86 -1.902 -7.245 -9.044 1.00 32.21 H new ATOM 1422 N ASP A 87 1.950 -10.308 -10.690 1.00 25.43 N ATOM 1423 CA ASP A 87 2.676 -11.068 -11.719 1.00 42.25 C ATOM 1424 C ASP A 87 1.769 -12.184 -12.272 1.00 52.20 C ATOM 1425 O ASP A 87 1.617 -12.329 -13.485 1.00 54.14 O ATOM 1426 CB ASP A 87 3.984 -11.667 -11.129 1.00 5.25 C ATOM 1427 CG ASP A 87 4.808 -12.447 -12.171 1.00 15.33 C ATOM 1428 OD1 ASP A 87 5.556 -11.811 -12.943 1.00 63.01 O ATOM 1429 OD2 ASP A 87 4.701 -13.692 -12.236 1.00 22.03 O ATOM 0 H ASP A 87 2.379 -10.360 -9.766 1.00 25.43 H new ATOM 0 HA ASP A 87 2.949 -10.397 -12.534 1.00 42.25 H new ATOM 0 HB2 ASP A 87 4.594 -10.862 -10.719 1.00 5.25 H new ATOM 0 HB3 ASP A 87 3.733 -12.330 -10.301 1.00 5.25 H new ATOM 1434 N GLU A 88 1.145 -12.927 -11.347 1.00 44.23 N ATOM 1435 CA GLU A 88 0.240 -14.047 -11.667 1.00 32.14 C ATOM 1436 C GLU A 88 -1.040 -13.552 -12.369 1.00 65.31 C ATOM 1437 O GLU A 88 -1.442 -14.122 -13.391 1.00 43.42 O ATOM 1438 CB GLU A 88 -0.113 -14.801 -10.368 1.00 0.35 C ATOM 1439 CG GLU A 88 1.110 -15.386 -9.639 1.00 3.43 C ATOM 1440 CD GLU A 88 0.775 -15.872 -8.226 1.00 45.35 C ATOM 1441 OE1 GLU A 88 0.623 -17.094 -8.012 1.00 60.22 O ATOM 1442 OE2 GLU A 88 0.631 -15.017 -7.334 1.00 53.34 O ATOM 0 H GLU A 88 1.253 -12.768 -10.345 1.00 44.23 H new ATOM 0 HA GLU A 88 0.748 -14.722 -12.355 1.00 32.14 H new ATOM 0 HB2 GLU A 88 -0.635 -14.121 -9.695 1.00 0.35 H new ATOM 0 HB3 GLU A 88 -0.805 -15.610 -10.604 1.00 0.35 H new ATOM 0 HG2 GLU A 88 1.512 -16.217 -10.219 1.00 3.43 H new ATOM 0 HG3 GLU A 88 1.892 -14.629 -9.583 1.00 3.43 H new ATOM 1449 N LEU A 89 -1.640 -12.466 -11.823 1.00 33.23 N ATOM 1450 CA LEU A 89 -2.877 -11.862 -12.357 1.00 3.22 C ATOM 1451 C LEU A 89 -2.648 -11.393 -13.800 1.00 50.52 C ATOM 1452 O LEU A 89 -3.371 -11.809 -14.691 1.00 4.50 O ATOM 1453 CB LEU A 89 -3.372 -10.681 -11.460 1.00 5.01 C ATOM 1454 CG LEU A 89 -3.779 -11.046 -9.993 1.00 70.52 C ATOM 1455 CD1 LEU A 89 -4.199 -9.797 -9.193 1.00 22.23 C ATOM 1456 CD2 LEU A 89 -4.882 -12.124 -9.952 1.00 11.50 C ATOM 0 H LEU A 89 -1.276 -11.987 -10.999 1.00 33.23 H new ATOM 0 HA LEU A 89 -3.658 -12.622 -12.351 1.00 3.22 H new ATOM 0 HB2 LEU A 89 -2.584 -9.929 -11.419 1.00 5.01 H new ATOM 0 HB3 LEU A 89 -4.230 -10.218 -11.948 1.00 5.01 H new ATOM 0 HG LEU A 89 -2.893 -11.466 -9.516 1.00 70.52 H new ATOM 0 HD11 LEU A 89 -4.475 -10.090 -8.180 1.00 22.23 H new ATOM 0 HD12 LEU A 89 -3.368 -9.093 -9.154 1.00 22.23 H new ATOM 0 HD13 LEU A 89 -5.052 -9.324 -9.679 1.00 22.23 H new ATOM 0 HD21 LEU A 89 -5.134 -12.347 -8.915 1.00 11.50 H new ATOM 0 HD22 LEU A 89 -5.768 -11.758 -10.470 1.00 11.50 H new ATOM 0 HD23 LEU A 89 -4.524 -13.030 -10.441 1.00 11.50 H new ATOM 1468 N SER A 90 -1.576 -10.591 -14.005 1.00 71.10 N ATOM 1469 CA SER A 90 -1.176 -10.062 -15.328 1.00 64.24 C ATOM 1470 C SER A 90 -0.882 -11.197 -16.332 1.00 41.45 C ATOM 1471 O SER A 90 -1.248 -11.098 -17.512 1.00 64.41 O ATOM 1472 CB SER A 90 0.069 -9.155 -15.179 1.00 31.11 C ATOM 1473 OG SER A 90 0.456 -8.568 -16.413 1.00 64.11 O ATOM 0 H SER A 90 -0.960 -10.291 -13.249 1.00 71.10 H new ATOM 0 HA SER A 90 -2.010 -9.479 -15.719 1.00 64.24 H new ATOM 0 HB2 SER A 90 -0.141 -8.368 -14.455 1.00 31.11 H new ATOM 0 HB3 SER A 90 0.898 -9.741 -14.782 1.00 31.11 H new ATOM 0 HG SER A 90 1.244 -8.003 -16.273 1.00 64.11 H new ATOM 1479 N SER A 91 -0.239 -12.274 -15.837 1.00 54.42 N ATOM 1480 CA SER A 91 0.100 -13.453 -16.652 1.00 24.41 C ATOM 1481 C SER A 91 -1.178 -14.156 -17.158 1.00 41.22 C ATOM 1482 O SER A 91 -1.194 -14.705 -18.255 1.00 41.14 O ATOM 1483 CB SER A 91 0.963 -14.436 -15.827 1.00 72.20 C ATOM 1484 OG SER A 91 1.401 -15.539 -16.607 1.00 43.54 O ATOM 0 H SER A 91 0.058 -12.349 -14.864 1.00 54.42 H new ATOM 0 HA SER A 91 0.671 -13.121 -17.519 1.00 24.41 H new ATOM 0 HB2 SER A 91 1.828 -13.910 -15.424 1.00 72.20 H new ATOM 0 HB3 SER A 91 0.387 -14.799 -14.976 1.00 72.20 H new ATOM 0 HG SER A 91 1.944 -16.137 -16.052 1.00 43.54 H new ATOM 1490 N LEU A 92 -2.242 -14.113 -16.335 1.00 70.34 N ATOM 1491 CA LEU A 92 -3.550 -14.718 -16.648 1.00 24.52 C ATOM 1492 C LEU A 92 -4.434 -13.774 -17.498 1.00 31.40 C ATOM 1493 O LEU A 92 -5.242 -14.249 -18.310 1.00 62.13 O ATOM 1494 CB LEU A 92 -4.255 -15.107 -15.319 1.00 71.32 C ATOM 1495 CG LEU A 92 -3.567 -16.256 -14.515 1.00 4.42 C ATOM 1496 CD1 LEU A 92 -4.288 -16.531 -13.182 1.00 34.20 C ATOM 1497 CD2 LEU A 92 -3.447 -17.535 -15.374 1.00 62.33 C ATOM 0 H LEU A 92 -2.218 -13.653 -15.425 1.00 70.34 H new ATOM 0 HA LEU A 92 -3.390 -15.612 -17.250 1.00 24.52 H new ATOM 0 HB2 LEU A 92 -4.311 -14.223 -14.684 1.00 71.32 H new ATOM 0 HB3 LEU A 92 -5.280 -15.404 -15.543 1.00 71.32 H new ATOM 0 HG LEU A 92 -2.558 -15.927 -14.266 1.00 4.42 H new ATOM 0 HD11 LEU A 92 -3.779 -17.337 -12.653 1.00 34.20 H new ATOM 0 HD12 LEU A 92 -4.276 -15.630 -12.569 1.00 34.20 H new ATOM 0 HD13 LEU A 92 -5.320 -16.822 -13.380 1.00 34.20 H new ATOM 0 HD21 LEU A 92 -2.965 -18.320 -14.792 1.00 62.33 H new ATOM 0 HD22 LEU A 92 -4.441 -17.865 -15.676 1.00 62.33 H new ATOM 0 HD23 LEU A 92 -2.850 -17.323 -16.261 1.00 62.33 H new ATOM 1509 N ILE A 93 -4.266 -12.442 -17.306 1.00 43.11 N ATOM 1510 CA ILE A 93 -5.035 -11.410 -18.037 1.00 11.31 C ATOM 1511 C ILE A 93 -4.661 -11.426 -19.521 1.00 44.43 C ATOM 1512 O ILE A 93 -5.537 -11.547 -20.365 1.00 23.31 O ATOM 1513 CB ILE A 93 -4.808 -9.957 -17.451 1.00 51.34 C ATOM 1514 CG1 ILE A 93 -5.362 -9.837 -16.001 1.00 33.33 C ATOM 1515 CG2 ILE A 93 -5.433 -8.860 -18.357 1.00 25.11 C ATOM 1516 CD1 ILE A 93 -5.000 -8.541 -15.296 1.00 30.23 C ATOM 0 H ILE A 93 -3.595 -12.056 -16.642 1.00 43.11 H new ATOM 0 HA ILE A 93 -6.090 -11.654 -17.914 1.00 11.31 H new ATOM 0 HB ILE A 93 -3.730 -9.796 -17.425 1.00 51.34 H new ATOM 0 HG12 ILE A 93 -6.448 -9.929 -16.031 1.00 33.33 H new ATOM 0 HG13 ILE A 93 -4.987 -10.674 -15.412 1.00 33.33 H new ATOM 0 HG21 ILE A 93 -5.254 -7.879 -17.917 1.00 25.11 H new ATOM 0 HG22 ILE A 93 -4.978 -8.903 -19.347 1.00 25.11 H new ATOM 0 HG23 ILE A 93 -6.506 -9.028 -18.444 1.00 25.11 H new ATOM 0 HD11 ILE A 93 -5.426 -8.541 -14.293 1.00 30.23 H new ATOM 0 HD12 ILE A 93 -3.916 -8.453 -15.230 1.00 30.23 H new ATOM 0 HD13 ILE A 93 -5.398 -7.697 -15.859 1.00 30.23 H new ATOM 1528 N GLY A 94 -3.345 -11.342 -19.810 1.00 52.12 N ATOM 1529 CA GLY A 94 -2.844 -11.255 -21.188 1.00 43.24 C ATOM 1530 C GLY A 94 -3.248 -12.440 -22.073 1.00 52.01 C ATOM 1531 O GLY A 94 -3.321 -12.305 -23.301 1.00 51.40 O ATOM 0 H GLY A 94 -2.612 -11.333 -19.101 1.00 52.12 H new ATOM 0 HA2 GLY A 94 -3.212 -10.334 -21.640 1.00 43.24 H new ATOM 0 HA3 GLY A 94 -1.756 -11.186 -21.165 1.00 43.24 H new ATOM 1535 N GLN A 95 -3.509 -13.597 -21.433 1.00 40.32 N ATOM 1536 CA GLN A 95 -3.983 -14.808 -22.121 1.00 15.54 C ATOM 1537 C GLN A 95 -5.438 -14.620 -22.608 1.00 21.41 C ATOM 1538 O GLN A 95 -5.742 -14.798 -23.792 1.00 43.45 O ATOM 1539 CB GLN A 95 -3.895 -16.038 -21.168 1.00 61.31 C ATOM 1540 CG GLN A 95 -2.488 -16.339 -20.611 1.00 44.43 C ATOM 1541 CD GLN A 95 -1.446 -16.682 -21.684 1.00 54.15 C ATOM 1542 OE1 GLN A 95 -0.761 -15.803 -22.216 1.00 60.10 O ATOM 1543 NE2 GLN A 95 -1.319 -17.957 -22.007 1.00 11.52 N ATOM 0 H GLN A 95 -3.396 -13.715 -20.426 1.00 40.32 H new ATOM 0 HA GLN A 95 -3.345 -14.984 -22.987 1.00 15.54 H new ATOM 0 HB2 GLN A 95 -4.573 -15.877 -20.330 1.00 61.31 H new ATOM 0 HB3 GLN A 95 -4.252 -16.918 -21.703 1.00 61.31 H new ATOM 0 HG2 GLN A 95 -2.140 -15.474 -20.047 1.00 44.43 H new ATOM 0 HG3 GLN A 95 -2.558 -17.170 -19.909 1.00 44.43 H new ATOM 0 HE21 GLN A 95 -1.900 -18.659 -21.549 1.00 11.52 H new ATOM 0 HE22 GLN A 95 -0.640 -18.239 -22.714 1.00 11.52 H new ATOM 1552 N VAL A 96 -6.318 -14.234 -21.668 1.00 12.42 N ATOM 1553 CA VAL A 96 -7.783 -14.167 -21.889 1.00 1.31 C ATOM 1554 C VAL A 96 -8.220 -12.845 -22.562 1.00 14.41 C ATOM 1555 O VAL A 96 -9.298 -12.779 -23.159 1.00 75.04 O ATOM 1556 CB VAL A 96 -8.565 -14.359 -20.533 1.00 4.42 C ATOM 1557 CG1 VAL A 96 -8.315 -15.765 -19.939 1.00 72.11 C ATOM 1558 CG2 VAL A 96 -8.205 -13.257 -19.508 1.00 11.13 C ATOM 0 H VAL A 96 -6.037 -13.957 -20.727 1.00 12.42 H new ATOM 0 HA VAL A 96 -8.031 -14.982 -22.569 1.00 1.31 H new ATOM 0 HB VAL A 96 -9.628 -14.269 -20.756 1.00 4.42 H new ATOM 0 HG11 VAL A 96 -8.867 -15.869 -19.005 1.00 72.11 H new ATOM 0 HG12 VAL A 96 -8.652 -16.524 -20.645 1.00 72.11 H new ATOM 0 HG13 VAL A 96 -7.250 -15.895 -19.748 1.00 72.11 H new ATOM 0 HG21 VAL A 96 -8.763 -13.421 -18.586 1.00 11.13 H new ATOM 0 HG22 VAL A 96 -7.136 -13.292 -19.297 1.00 11.13 H new ATOM 0 HG23 VAL A 96 -8.462 -12.280 -19.918 1.00 11.13 H new ATOM 1568 N LEU A 97 -7.380 -11.803 -22.442 1.00 21.22 N ATOM 1569 CA LEU A 97 -7.667 -10.458 -22.973 1.00 73.23 C ATOM 1570 C LEU A 97 -6.987 -10.352 -24.342 1.00 31.05 C ATOM 1571 O LEU A 97 -5.753 -10.348 -24.435 1.00 44.21 O ATOM 1572 CB LEU A 97 -7.154 -9.359 -21.978 1.00 13.11 C ATOM 1573 CG LEU A 97 -7.764 -7.907 -22.101 1.00 21.33 C ATOM 1574 CD1 LEU A 97 -7.327 -7.025 -20.914 1.00 23.14 C ATOM 1575 CD2 LEU A 97 -7.416 -7.205 -23.437 1.00 33.33 C ATOM 0 H LEU A 97 -6.478 -11.870 -21.971 1.00 21.22 H new ATOM 0 HA LEU A 97 -8.740 -10.300 -23.085 1.00 73.23 H new ATOM 0 HB2 LEU A 97 -7.338 -9.714 -20.964 1.00 13.11 H new ATOM 0 HB3 LEU A 97 -6.073 -9.279 -22.097 1.00 13.11 H new ATOM 0 HG LEU A 97 -8.846 -8.035 -22.083 1.00 21.33 H new ATOM 0 HD11 LEU A 97 -7.760 -6.030 -21.021 1.00 23.14 H new ATOM 0 HD12 LEU A 97 -7.672 -7.472 -19.982 1.00 23.14 H new ATOM 0 HD13 LEU A 97 -6.240 -6.948 -20.899 1.00 23.14 H new ATOM 0 HD21 LEU A 97 -7.866 -6.213 -23.455 1.00 33.33 H new ATOM 0 HD22 LEU A 97 -6.334 -7.114 -23.529 1.00 33.33 H new ATOM 0 HD23 LEU A 97 -7.803 -7.794 -24.269 1.00 33.33 H new ATOM 1587 N PHE A 98 -7.806 -10.276 -25.392 1.00 75.30 N ATOM 1588 CA PHE A 98 -7.342 -10.196 -26.778 1.00 21.13 C ATOM 1589 C PHE A 98 -7.320 -8.725 -27.221 1.00 13.12 C ATOM 1590 O PHE A 98 -8.308 -8.193 -27.708 1.00 45.34 O ATOM 1591 CB PHE A 98 -8.258 -11.058 -27.683 1.00 11.43 C ATOM 1592 CG PHE A 98 -8.348 -12.519 -27.238 1.00 63.44 C ATOM 1593 CD1 PHE A 98 -7.256 -13.373 -27.389 1.00 64.33 C ATOM 1594 CD2 PHE A 98 -9.512 -13.031 -26.654 1.00 20.41 C ATOM 1595 CE1 PHE A 98 -7.322 -14.688 -26.971 1.00 70.05 C ATOM 1596 CE2 PHE A 98 -9.574 -14.348 -26.243 1.00 4.42 C ATOM 1597 CZ PHE A 98 -8.480 -15.174 -26.398 1.00 31.01 C ATOM 0 H PHE A 98 -8.822 -10.268 -25.303 1.00 75.30 H new ATOM 0 HA PHE A 98 -6.329 -10.589 -26.862 1.00 21.13 H new ATOM 0 HB2 PHE A 98 -9.259 -10.626 -27.692 1.00 11.43 H new ATOM 0 HB3 PHE A 98 -7.885 -11.020 -28.707 1.00 11.43 H new ATOM 0 HD1 PHE A 98 -6.347 -13.002 -27.839 1.00 64.33 H new ATOM 0 HD2 PHE A 98 -10.371 -12.389 -26.523 1.00 20.41 H new ATOM 0 HE1 PHE A 98 -6.467 -15.336 -27.093 1.00 70.05 H new ATOM 0 HE2 PHE A 98 -10.481 -14.732 -25.799 1.00 4.42 H new ATOM 0 HZ PHE A 98 -8.530 -16.202 -26.071 1.00 31.01 H new ATOM 1607 N GLN A 99 -6.189 -8.059 -26.973 1.00 61.45 N ATOM 1608 CA GLN A 99 -5.994 -6.636 -27.339 1.00 63.51 C ATOM 1609 C GLN A 99 -5.529 -6.475 -28.807 1.00 14.12 C ATOM 1610 O GLN A 99 -5.272 -5.358 -29.254 1.00 22.35 O ATOM 1611 CB GLN A 99 -5.015 -5.951 -26.319 1.00 70.31 C ATOM 1612 CG GLN A 99 -3.731 -6.747 -25.959 1.00 23.12 C ATOM 1613 CD GLN A 99 -2.711 -6.919 -27.097 1.00 30.23 C ATOM 1614 OE1 GLN A 99 -2.016 -7.933 -27.168 1.00 1.11 O ATOM 1615 NE2 GLN A 99 -2.576 -5.928 -27.965 1.00 15.53 N ATOM 0 H GLN A 99 -5.381 -8.480 -26.515 1.00 61.45 H new ATOM 0 HA GLN A 99 -6.955 -6.126 -27.276 1.00 63.51 H new ATOM 0 HB2 GLN A 99 -4.716 -4.985 -26.727 1.00 70.31 H new ATOM 0 HB3 GLN A 99 -5.564 -5.752 -25.399 1.00 70.31 H new ATOM 0 HG2 GLN A 99 -3.237 -6.247 -25.126 1.00 23.12 H new ATOM 0 HG3 GLN A 99 -4.025 -7.736 -25.607 1.00 23.12 H new ATOM 0 HE21 GLN A 99 -3.163 -5.098 -27.886 1.00 15.53 H new ATOM 0 HE22 GLN A 99 -1.885 -5.995 -28.712 1.00 15.53 H new ATOM 1624 N GLY A 100 -5.415 -7.596 -29.547 1.00 64.33 N ATOM 1625 CA GLY A 100 -4.977 -7.563 -30.942 1.00 74.22 C ATOM 1626 C GLY A 100 -4.861 -8.963 -31.541 1.00 70.22 C ATOM 1627 O GLY A 100 -5.724 -9.363 -32.335 1.00 21.52 O ATOM 0 H GLY A 100 -5.622 -8.531 -29.195 1.00 64.33 H new ATOM 0 HA2 GLY A 100 -5.683 -6.975 -31.529 1.00 74.22 H new ATOM 0 HA3 GLY A 100 -4.012 -7.060 -31.007 1.00 74.22 H new ATOM 1631 N PRO A 101 -3.794 -9.753 -31.172 1.00 74.03 N ATOM 1632 CA PRO A 101 -3.604 -11.133 -31.682 1.00 11.42 C ATOM 1633 C PRO A 101 -4.650 -12.115 -31.102 1.00 21.42 C ATOM 1634 O PRO A 101 -5.181 -11.885 -30.000 1.00 1.32 O ATOM 1635 CB PRO A 101 -2.169 -11.494 -31.211 1.00 24.53 C ATOM 1636 CG PRO A 101 -1.949 -10.656 -29.983 1.00 62.33 C ATOM 1637 CD PRO A 101 -2.694 -9.357 -30.240 1.00 64.03 C ATOM 0 HA PRO A 101 -3.731 -11.200 -32.763 1.00 11.42 H new ATOM 0 HB2 PRO A 101 -2.082 -12.557 -30.986 1.00 24.53 H new ATOM 0 HB3 PRO A 101 -1.431 -11.269 -31.981 1.00 24.53 H new ATOM 0 HG2 PRO A 101 -2.329 -11.157 -29.093 1.00 62.33 H new ATOM 0 HG3 PRO A 101 -0.887 -10.473 -29.817 1.00 62.33 H new ATOM 0 HD2 PRO A 101 -3.086 -8.932 -29.316 1.00 64.03 H new ATOM 0 HD3 PRO A 101 -2.044 -8.605 -30.686 1.00 64.03 H new ATOM 1645 N SER A 102 -4.943 -13.181 -31.884 1.00 2.12 N ATOM 1646 CA SER A 102 -5.873 -14.269 -31.505 1.00 74.51 C ATOM 1647 C SER A 102 -7.317 -13.743 -31.311 1.00 44.45 C ATOM 1648 O SER A 102 -8.131 -14.357 -30.610 1.00 3.21 O ATOM 1649 CB SER A 102 -5.344 -15.008 -30.245 1.00 62.22 C ATOM 1650 OG SER A 102 -4.020 -15.480 -30.451 1.00 34.34 O ATOM 0 H SER A 102 -4.533 -13.310 -32.809 1.00 2.12 H new ATOM 0 HA SER A 102 -5.917 -14.989 -32.323 1.00 74.51 H new ATOM 0 HB2 SER A 102 -5.365 -14.334 -29.388 1.00 62.22 H new ATOM 0 HB3 SER A 102 -6.000 -15.846 -30.008 1.00 62.22 H new ATOM 0 HG SER A 102 -3.708 -15.940 -29.644 1.00 34.34 H new ATOM 1656 N ALA A 103 -7.626 -12.632 -31.997 1.00 31.52 N ATOM 1657 CA ALA A 103 -8.910 -11.926 -31.894 1.00 21.52 C ATOM 1658 C ALA A 103 -9.573 -11.832 -33.280 1.00 32.21 C ATOM 1659 O ALA A 103 -8.995 -11.251 -34.211 1.00 62.25 O ATOM 1660 CB ALA A 103 -8.675 -10.526 -31.302 1.00 42.14 C ATOM 0 H ALA A 103 -6.978 -12.192 -32.650 1.00 31.52 H new ATOM 0 HA ALA A 103 -9.581 -12.478 -31.235 1.00 21.52 H new ATOM 0 HB1 ALA A 103 -9.626 -9.999 -31.224 1.00 42.14 H new ATOM 0 HB2 ALA A 103 -8.230 -10.620 -30.311 1.00 42.14 H new ATOM 0 HB3 ALA A 103 -8.002 -9.965 -31.950 1.00 42.14 H new ATOM 1666 N GLY A 104 -10.765 -12.444 -33.422 1.00 43.04 N ATOM 1667 CA GLY A 104 -11.584 -12.287 -34.629 1.00 51.34 C ATOM 1668 C GLY A 104 -12.162 -10.883 -34.705 1.00 41.14 C ATOM 1669 O GLY A 104 -11.849 -10.109 -35.620 1.00 51.24 O ATOM 0 H GLY A 104 -11.178 -13.050 -32.713 1.00 43.04 H new ATOM 0 HA2 GLY A 104 -10.979 -12.485 -35.514 1.00 51.34 H new ATOM 0 HA3 GLY A 104 -12.392 -13.019 -34.625 1.00 51.34 H new ATOM 1673 N LEU A 105 -13.021 -10.561 -33.728 1.00 53.32 N ATOM 1674 CA LEU A 105 -13.405 -9.172 -33.417 1.00 61.10 C ATOM 1675 C LEU A 105 -12.296 -8.551 -32.556 1.00 64.32 C ATOM 1676 O LEU A 105 -11.580 -9.281 -31.867 1.00 13.03 O ATOM 1677 CB LEU A 105 -14.814 -9.125 -32.722 1.00 21.44 C ATOM 1678 CG LEU A 105 -15.049 -9.999 -31.424 1.00 61.13 C ATOM 1679 CD1 LEU A 105 -14.449 -9.371 -30.143 1.00 62.22 C ATOM 1680 CD2 LEU A 105 -16.547 -10.294 -31.220 1.00 72.42 C ATOM 0 H LEU A 105 -13.471 -11.254 -33.130 1.00 53.32 H new ATOM 0 HA LEU A 105 -13.505 -8.586 -34.331 1.00 61.10 H new ATOM 0 HB2 LEU A 105 -15.021 -8.087 -32.463 1.00 21.44 H new ATOM 0 HB3 LEU A 105 -15.558 -9.424 -33.461 1.00 21.44 H new ATOM 0 HG LEU A 105 -14.516 -10.935 -31.595 1.00 61.13 H new ATOM 0 HD11 LEU A 105 -14.647 -10.022 -29.292 1.00 62.22 H new ATOM 0 HD12 LEU A 105 -13.373 -9.251 -30.266 1.00 62.22 H new ATOM 0 HD13 LEU A 105 -14.905 -8.396 -29.968 1.00 62.22 H new ATOM 0 HD21 LEU A 105 -16.680 -10.896 -30.321 1.00 72.42 H new ATOM 0 HD22 LEU A 105 -17.091 -9.356 -31.112 1.00 72.42 H new ATOM 0 HD23 LEU A 105 -16.931 -10.839 -32.082 1.00 72.42 H new ATOM 1692 N VAL A 106 -12.139 -7.222 -32.604 1.00 64.43 N ATOM 1693 CA VAL A 106 -11.132 -6.512 -31.793 1.00 52.13 C ATOM 1694 C VAL A 106 -11.823 -5.876 -30.563 1.00 43.21 C ATOM 1695 O VAL A 106 -12.545 -4.887 -30.711 1.00 35.24 O ATOM 1696 CB VAL A 106 -10.374 -5.412 -32.636 1.00 44.23 C ATOM 1697 CG1 VAL A 106 -9.232 -4.759 -31.818 1.00 53.41 C ATOM 1698 CG2 VAL A 106 -9.835 -5.999 -33.962 1.00 43.13 C ATOM 0 H VAL A 106 -12.698 -6.610 -33.199 1.00 64.43 H new ATOM 0 HA VAL A 106 -10.385 -7.233 -31.461 1.00 52.13 H new ATOM 0 HB VAL A 106 -11.096 -4.632 -32.880 1.00 44.23 H new ATOM 0 HG11 VAL A 106 -8.731 -4.007 -32.428 1.00 53.41 H new ATOM 0 HG12 VAL A 106 -9.646 -4.287 -30.927 1.00 53.41 H new ATOM 0 HG13 VAL A 106 -8.513 -5.523 -31.522 1.00 53.41 H new ATOM 0 HG21 VAL A 106 -9.318 -5.219 -34.521 1.00 43.13 H new ATOM 0 HG22 VAL A 106 -9.141 -6.811 -33.745 1.00 43.13 H new ATOM 0 HG23 VAL A 106 -10.666 -6.381 -34.555 1.00 43.13 H new ATOM 1708 N PRO A 107 -11.674 -6.467 -29.333 1.00 74.12 N ATOM 1709 CA PRO A 107 -12.165 -5.866 -28.074 1.00 5.51 C ATOM 1710 C PRO A 107 -11.056 -5.078 -27.327 1.00 23.13 C ATOM 1711 O PRO A 107 -11.027 -5.053 -26.090 1.00 30.42 O ATOM 1712 CB PRO A 107 -12.612 -7.130 -27.304 1.00 63.15 C ATOM 1713 CG PRO A 107 -11.608 -8.191 -27.687 1.00 35.14 C ATOM 1714 CD PRO A 107 -11.073 -7.803 -29.069 1.00 12.05 C ATOM 0 HA PRO A 107 -12.951 -5.123 -28.207 1.00 5.51 H new ATOM 0 HB2 PRO A 107 -12.614 -6.957 -26.228 1.00 63.15 H new ATOM 0 HB3 PRO A 107 -13.624 -7.425 -27.581 1.00 63.15 H new ATOM 0 HG2 PRO A 107 -10.799 -8.241 -26.958 1.00 35.14 H new ATOM 0 HG3 PRO A 107 -12.075 -9.176 -27.714 1.00 35.14 H new ATOM 0 HD2 PRO A 107 -9.984 -7.758 -29.076 1.00 12.05 H new ATOM 0 HD3 PRO A 107 -11.367 -8.529 -29.828 1.00 12.05 H new ATOM 1722 N ARG A 108 -10.172 -4.408 -28.096 1.00 62.11 N ATOM 1723 CA ARG A 108 -9.066 -3.584 -27.548 1.00 21.40 C ATOM 1724 C ARG A 108 -9.611 -2.267 -26.924 1.00 33.44 C ATOM 1725 O ARG A 108 -8.896 -1.591 -26.166 1.00 21.02 O ATOM 1726 CB ARG A 108 -8.028 -3.277 -28.666 1.00 2.52 C ATOM 1727 CG ARG A 108 -6.763 -2.507 -28.204 1.00 20.41 C ATOM 1728 CD ARG A 108 -5.817 -2.156 -29.363 1.00 10.02 C ATOM 1729 NE ARG A 108 -6.503 -1.389 -30.417 1.00 44.13 N ATOM 1730 CZ ARG A 108 -6.000 -1.077 -31.625 1.00 4.41 C ATOM 1731 NH1 ARG A 108 -4.775 -1.463 -31.983 1.00 22.42 N ATOM 1732 NH2 ARG A 108 -6.740 -0.393 -32.477 1.00 22.41 N ATOM 0 H ARG A 108 -10.202 -4.421 -29.115 1.00 62.11 H new ATOM 0 HA ARG A 108 -8.572 -4.147 -26.756 1.00 21.40 H new ATOM 0 HB2 ARG A 108 -7.715 -4.219 -29.117 1.00 2.52 H new ATOM 0 HB3 ARG A 108 -8.521 -2.698 -29.447 1.00 2.52 H new ATOM 0 HG2 ARG A 108 -7.067 -1.590 -27.700 1.00 20.41 H new ATOM 0 HG3 ARG A 108 -6.225 -3.110 -27.473 1.00 20.41 H new ATOM 0 HD2 ARG A 108 -4.975 -1.578 -28.982 1.00 10.02 H new ATOM 0 HD3 ARG A 108 -5.408 -3.072 -29.788 1.00 10.02 H new ATOM 0 HE ARG A 108 -7.448 -1.064 -30.212 1.00 44.13 H new ATOM 0 HH11 ARG A 108 -4.202 -2.005 -31.336 1.00 22.42 H new ATOM 0 HH12 ARG A 108 -4.411 -1.217 -32.904 1.00 22.42 H new ATOM 0 HH21 ARG A 108 -7.684 -0.106 -32.217 1.00 22.41 H new ATOM 0 HH22 ARG A 108 -6.368 -0.151 -33.396 1.00 22.41 H new ATOM 1746 N GLY A 109 -10.880 -1.927 -27.256 1.00 53.22 N ATOM 1747 CA GLY A 109 -11.573 -0.772 -26.674 1.00 50.01 C ATOM 1748 C GLY A 109 -11.628 -0.860 -25.146 1.00 42.43 C ATOM 1749 O GLY A 109 -12.351 -1.709 -24.596 1.00 44.11 O ATOM 0 H GLY A 109 -11.441 -2.447 -27.931 1.00 53.22 H new ATOM 0 HA2 GLY A 109 -11.063 0.145 -26.968 1.00 50.01 H new ATOM 0 HA3 GLY A 109 -12.586 -0.716 -27.073 1.00 50.01 H new ATOM 1753 N SER A 110 -10.827 0.002 -24.478 1.00 20.32 N ATOM 1754 CA SER A 110 -10.613 -0.015 -23.018 1.00 43.25 C ATOM 1755 C SER A 110 -11.935 0.152 -22.237 1.00 65.32 C ATOM 1756 O SER A 110 -12.466 1.260 -22.120 1.00 75.22 O ATOM 1757 CB SER A 110 -9.600 1.100 -22.642 1.00 74.54 C ATOM 1758 OG SER A 110 -8.361 0.905 -23.306 1.00 23.02 O ATOM 0 H SER A 110 -10.304 0.740 -24.949 1.00 20.32 H new ATOM 0 HA SER A 110 -10.208 -0.988 -22.738 1.00 43.25 H new ATOM 0 HB2 SER A 110 -10.010 2.074 -22.908 1.00 74.54 H new ATOM 0 HB3 SER A 110 -9.442 1.105 -21.563 1.00 74.54 H new ATOM 0 HG SER A 110 -7.739 1.620 -23.055 1.00 23.02 H new ATOM 1764 N GLY A 111 -12.475 -0.980 -21.753 1.00 34.30 N ATOM 1765 CA GLY A 111 -13.695 -0.979 -20.951 1.00 41.31 C ATOM 1766 C GLY A 111 -14.228 -2.387 -20.736 1.00 31.03 C ATOM 1767 O GLY A 111 -13.811 -3.067 -19.792 1.00 22.32 O ATOM 0 H GLY A 111 -12.078 -1.907 -21.908 1.00 34.30 H new ATOM 0 HA2 GLY A 111 -13.495 -0.514 -19.986 1.00 41.31 H new ATOM 0 HA3 GLY A 111 -14.455 -0.374 -21.445 1.00 41.31 H new ATOM 1771 N GLY A 112 -15.098 -2.850 -21.657 1.00 20.14 N ATOM 1772 CA GLY A 112 -15.796 -4.128 -21.517 1.00 34.12 C ATOM 1773 C GLY A 112 -15.934 -4.875 -22.837 1.00 25.53 C ATOM 1774 O GLY A 112 -16.129 -4.260 -23.894 1.00 32.31 O ATOM 0 H GLY A 112 -15.330 -2.345 -22.512 1.00 20.14 H new ATOM 0 HA2 GLY A 112 -15.258 -4.754 -20.805 1.00 34.12 H new ATOM 0 HA3 GLY A 112 -16.787 -3.951 -21.100 1.00 34.12 H new ATOM 1778 N ILE A 113 -15.838 -6.216 -22.761 1.00 63.13 N ATOM 1779 CA ILE A 113 -16.003 -7.139 -23.902 1.00 25.52 C ATOM 1780 C ILE A 113 -17.469 -7.675 -23.887 1.00 74.01 C ATOM 1781 O ILE A 113 -18.223 -7.414 -22.940 1.00 21.11 O ATOM 1782 CB ILE A 113 -14.943 -8.345 -23.843 1.00 21.30 C ATOM 1783 CG1 ILE A 113 -13.466 -7.828 -23.641 1.00 62.41 C ATOM 1784 CG2 ILE A 113 -14.999 -9.240 -25.118 1.00 43.45 C ATOM 1785 CD1 ILE A 113 -13.060 -7.506 -22.213 1.00 74.10 C ATOM 0 H ILE A 113 -15.639 -6.699 -21.885 1.00 63.13 H new ATOM 0 HA ILE A 113 -15.812 -6.606 -24.833 1.00 25.52 H new ATOM 0 HB ILE A 113 -15.229 -8.945 -22.979 1.00 21.30 H new ATOM 0 HG12 ILE A 113 -12.782 -8.582 -24.030 1.00 62.41 H new ATOM 0 HG13 ILE A 113 -13.330 -6.932 -24.247 1.00 62.41 H new ATOM 0 HG21 ILE A 113 -14.265 -10.041 -25.033 1.00 43.45 H new ATOM 0 HG22 ILE A 113 -15.996 -9.670 -25.217 1.00 43.45 H new ATOM 0 HG23 ILE A 113 -14.775 -8.635 -25.997 1.00 43.45 H new ATOM 0 HD11 ILE A 113 -12.026 -7.161 -22.198 1.00 74.10 H new ATOM 0 HD12 ILE A 113 -13.709 -6.725 -21.817 1.00 74.10 H new ATOM 0 HD13 ILE A 113 -13.153 -8.401 -21.598 1.00 74.10 H new ATOM 1797 N GLU A 114 -17.887 -8.358 -24.959 1.00 50.41 N ATOM 1798 CA GLU A 114 -19.165 -9.102 -25.009 1.00 53.51 C ATOM 1799 C GLU A 114 -18.959 -10.560 -24.521 1.00 65.34 C ATOM 1800 O GLU A 114 -17.967 -11.200 -24.881 1.00 13.22 O ATOM 1801 CB GLU A 114 -19.730 -9.076 -26.461 1.00 31.03 C ATOM 1802 CG GLU A 114 -18.743 -9.551 -27.553 1.00 21.22 C ATOM 1803 CD GLU A 114 -19.367 -9.583 -28.957 1.00 64.31 C ATOM 1804 OE1 GLU A 114 -19.851 -10.651 -29.386 1.00 73.31 O ATOM 1805 OE2 GLU A 114 -19.398 -8.532 -29.632 1.00 25.40 O ATOM 0 H GLU A 114 -17.350 -8.415 -25.824 1.00 50.41 H new ATOM 0 HA GLU A 114 -19.886 -8.624 -24.346 1.00 53.51 H new ATOM 0 HB2 GLU A 114 -20.621 -9.703 -26.500 1.00 31.03 H new ATOM 0 HB3 GLU A 114 -20.045 -8.059 -26.694 1.00 31.03 H new ATOM 0 HG2 GLU A 114 -17.876 -8.891 -27.562 1.00 21.22 H new ATOM 0 HG3 GLU A 114 -18.382 -10.548 -27.299 1.00 21.22 H new ATOM 1812 N GLY A 115 -19.895 -11.076 -23.696 1.00 65.01 N ATOM 1813 CA GLY A 115 -19.887 -12.491 -23.252 1.00 43.25 C ATOM 1814 C GLY A 115 -19.294 -12.700 -21.855 1.00 53.44 C ATOM 1815 O GLY A 115 -19.000 -11.735 -21.147 1.00 4.42 O ATOM 0 H GLY A 115 -20.672 -10.531 -23.321 1.00 65.01 H new ATOM 0 HA2 GLY A 115 -20.909 -12.871 -23.263 1.00 43.25 H new ATOM 0 HA3 GLY A 115 -19.319 -13.083 -23.969 1.00 43.25 H new ATOM 1819 N SER A 428 -19.114 -13.980 -21.475 1.00 1.12 N ATOM 1820 CA SER A 428 -18.567 -14.382 -20.156 1.00 30.55 C ATOM 1821 C SER A 428 -17.054 -14.054 -20.040 1.00 64.03 C ATOM 1822 O SER A 428 -16.514 -13.925 -18.923 1.00 3.50 O ATOM 1823 CB SER A 428 -18.812 -15.895 -19.944 1.00 4.24 C ATOM 1824 OG SER A 428 -18.396 -16.323 -18.657 1.00 41.21 O ATOM 0 H SER A 428 -19.344 -14.772 -22.075 1.00 1.12 H new ATOM 0 HA SER A 428 -19.080 -13.814 -19.380 1.00 30.55 H new ATOM 0 HB2 SER A 428 -19.872 -16.113 -20.074 1.00 4.24 H new ATOM 0 HB3 SER A 428 -18.275 -16.460 -20.706 1.00 4.24 H new ATOM 0 HG SER A 428 -18.750 -15.711 -17.978 1.00 41.21 H new ATOM 1830 N ILE A 429 -16.391 -13.924 -21.213 1.00 61.55 N ATOM 1831 CA ILE A 429 -14.978 -13.508 -21.331 1.00 32.15 C ATOM 1832 C ILE A 429 -14.783 -12.129 -20.687 1.00 43.00 C ATOM 1833 O ILE A 429 -13.773 -11.891 -20.029 1.00 63.12 O ATOM 1834 CB ILE A 429 -14.499 -13.544 -22.851 1.00 4.45 C ATOM 1835 CG1 ILE A 429 -12.982 -13.134 -23.048 1.00 11.22 C ATOM 1836 CG2 ILE A 429 -15.433 -12.718 -23.766 1.00 53.12 C ATOM 1837 CD1 ILE A 429 -12.687 -11.658 -23.295 1.00 14.43 C ATOM 0 H ILE A 429 -16.831 -14.108 -22.115 1.00 61.55 H new ATOM 0 HA ILE A 429 -14.349 -14.216 -20.791 1.00 32.15 H new ATOM 0 HB ILE A 429 -14.567 -14.588 -23.155 1.00 4.45 H new ATOM 0 HG12 ILE A 429 -12.430 -13.445 -22.161 1.00 11.22 H new ATOM 0 HG13 ILE A 429 -12.584 -13.704 -23.888 1.00 11.22 H new ATOM 0 HG21 ILE A 429 -15.073 -12.768 -24.794 1.00 53.12 H new ATOM 0 HG22 ILE A 429 -16.443 -13.124 -23.716 1.00 53.12 H new ATOM 0 HG23 ILE A 429 -15.442 -11.680 -23.434 1.00 53.12 H new ATOM 0 HD11 ILE A 429 -11.613 -11.516 -23.412 1.00 14.43 H new ATOM 0 HD12 ILE A 429 -13.197 -11.332 -24.201 1.00 14.43 H new ATOM 0 HD13 ILE A 429 -13.040 -11.070 -22.448 1.00 14.43 H new ATOM 1849 N ASP A 430 -15.794 -11.253 -20.838 1.00 54.22 N ATOM 1850 CA ASP A 430 -15.809 -9.927 -20.206 1.00 1.14 C ATOM 1851 C ASP A 430 -15.668 -10.037 -18.684 1.00 41.30 C ATOM 1852 O ASP A 430 -14.887 -9.306 -18.086 1.00 1.21 O ATOM 1853 CB ASP A 430 -17.122 -9.187 -20.552 1.00 61.44 C ATOM 1854 CG ASP A 430 -17.301 -7.858 -19.788 1.00 14.13 C ATOM 1855 OD1 ASP A 430 -16.448 -6.972 -19.929 1.00 70.21 O ATOM 1856 OD2 ASP A 430 -18.293 -7.708 -19.046 1.00 10.13 O ATOM 0 H ASP A 430 -16.621 -11.448 -21.402 1.00 54.22 H new ATOM 0 HA ASP A 430 -14.960 -9.363 -20.592 1.00 1.14 H new ATOM 0 HB2 ASP A 430 -17.145 -8.987 -21.623 1.00 61.44 H new ATOM 0 HB3 ASP A 430 -17.966 -9.840 -20.331 1.00 61.44 H new ATOM 1861 N GLU A 431 -16.424 -10.979 -18.091 1.00 24.31 N ATOM 1862 CA GLU A 431 -16.482 -11.170 -16.636 1.00 50.45 C ATOM 1863 C GLU A 431 -15.112 -11.597 -16.098 1.00 34.41 C ATOM 1864 O GLU A 431 -14.555 -10.903 -15.258 1.00 20.35 O ATOM 1865 CB GLU A 431 -17.548 -12.227 -16.265 1.00 73.00 C ATOM 1866 CG GLU A 431 -18.944 -11.973 -16.863 1.00 1.40 C ATOM 1867 CD GLU A 431 -19.933 -13.086 -16.502 1.00 65.35 C ATOM 1868 OE1 GLU A 431 -19.639 -14.257 -16.802 1.00 63.43 O ATOM 1869 OE2 GLU A 431 -21.003 -12.807 -15.923 1.00 14.34 O ATOM 0 H GLU A 431 -17.012 -11.629 -18.612 1.00 24.31 H new ATOM 0 HA GLU A 431 -16.761 -10.220 -16.180 1.00 50.45 H new ATOM 0 HB2 GLU A 431 -17.199 -13.206 -16.595 1.00 73.00 H new ATOM 0 HB3 GLU A 431 -17.635 -12.269 -15.179 1.00 73.00 H new ATOM 0 HG2 GLU A 431 -19.325 -11.018 -16.502 1.00 1.40 H new ATOM 0 HG3 GLU A 431 -18.865 -11.895 -17.947 1.00 1.40 H new ATOM 1876 N THR A 432 -14.558 -12.714 -16.642 1.00 64.21 N ATOM 1877 CA THR A 432 -13.281 -13.286 -16.156 1.00 41.54 C ATOM 1878 C THR A 432 -12.112 -12.283 -16.310 1.00 1.24 C ATOM 1879 O THR A 432 -11.276 -12.151 -15.390 1.00 2.43 O ATOM 1880 CB THR A 432 -12.941 -14.663 -16.842 1.00 65.14 C ATOM 1881 OG1 THR A 432 -11.780 -15.252 -16.229 1.00 12.22 O ATOM 1882 CG2 THR A 432 -12.707 -14.551 -18.361 1.00 1.50 C ATOM 0 H THR A 432 -14.977 -13.232 -17.414 1.00 64.21 H new ATOM 0 HA THR A 432 -13.415 -13.483 -15.092 1.00 41.54 H new ATOM 0 HB THR A 432 -13.816 -15.296 -16.696 1.00 65.14 H new ATOM 0 HG1 THR A 432 -11.580 -16.108 -16.663 1.00 12.22 H new ATOM 0 HG21 THR A 432 -12.478 -15.536 -18.767 1.00 1.50 H new ATOM 0 HG22 THR A 432 -13.605 -14.161 -18.840 1.00 1.50 H new ATOM 0 HG23 THR A 432 -11.872 -13.877 -18.552 1.00 1.50 H new ATOM 1890 N VAL A 433 -12.087 -11.551 -17.453 1.00 34.52 N ATOM 1891 CA VAL A 433 -11.117 -10.474 -17.689 1.00 42.51 C ATOM 1892 C VAL A 433 -11.293 -9.399 -16.613 1.00 52.53 C ATOM 1893 O VAL A 433 -10.335 -9.070 -15.952 1.00 34.24 O ATOM 1894 CB VAL A 433 -11.242 -9.837 -19.134 1.00 0.00 C ATOM 1895 CG1 VAL A 433 -10.398 -8.540 -19.272 1.00 53.31 C ATOM 1896 CG2 VAL A 433 -10.832 -10.851 -20.226 1.00 53.44 C ATOM 0 H VAL A 433 -12.737 -11.696 -18.225 1.00 34.52 H new ATOM 0 HA VAL A 433 -10.118 -10.907 -17.632 1.00 42.51 H new ATOM 0 HB VAL A 433 -12.291 -9.573 -19.272 1.00 0.00 H new ATOM 0 HG11 VAL A 433 -10.513 -8.137 -20.278 1.00 53.31 H new ATOM 0 HG12 VAL A 433 -10.740 -7.804 -18.545 1.00 53.31 H new ATOM 0 HG13 VAL A 433 -9.348 -8.768 -19.090 1.00 53.31 H new ATOM 0 HG21 VAL A 433 -10.927 -10.387 -21.208 1.00 53.44 H new ATOM 0 HG22 VAL A 433 -9.798 -11.157 -20.068 1.00 53.44 H new ATOM 0 HG23 VAL A 433 -11.481 -11.725 -20.173 1.00 53.44 H new ATOM 1906 N ALA A 434 -12.550 -8.951 -16.396 1.00 1.34 N ATOM 1907 CA ALA A 434 -12.884 -7.845 -15.470 1.00 24.24 C ATOM 1908 C ALA A 434 -12.567 -8.193 -14.004 1.00 61.23 C ATOM 1909 O ALA A 434 -12.270 -7.291 -13.219 1.00 40.13 O ATOM 1910 CB ALA A 434 -14.364 -7.453 -15.606 1.00 13.41 C ATOM 0 H ALA A 434 -13.366 -9.349 -16.861 1.00 1.34 H new ATOM 0 HA ALA A 434 -12.257 -6.998 -15.751 1.00 24.24 H new ATOM 0 HB1 ALA A 434 -14.589 -6.639 -14.917 1.00 13.41 H new ATOM 0 HB2 ALA A 434 -14.562 -7.129 -16.628 1.00 13.41 H new ATOM 0 HB3 ALA A 434 -14.991 -8.312 -15.369 1.00 13.41 H new ATOM 1916 N ARG A 435 -12.633 -9.500 -13.648 1.00 73.04 N ATOM 1917 CA ARG A 435 -12.321 -9.966 -12.283 1.00 51.01 C ATOM 1918 C ARG A 435 -10.827 -9.787 -12.012 1.00 20.21 C ATOM 1919 O ARG A 435 -10.437 -9.068 -11.088 1.00 20.20 O ATOM 1920 CB ARG A 435 -12.724 -11.456 -12.075 1.00 20.15 C ATOM 1921 CG ARG A 435 -14.219 -11.768 -12.279 1.00 1.32 C ATOM 1922 CD ARG A 435 -15.157 -10.859 -11.469 1.00 43.23 C ATOM 1923 NE ARG A 435 -16.575 -11.148 -11.748 1.00 14.14 N ATOM 1924 CZ ARG A 435 -17.596 -10.294 -11.561 1.00 54.42 C ATOM 1925 NH1 ARG A 435 -17.378 -9.065 -11.090 1.00 42.14 N ATOM 1926 NH2 ARG A 435 -18.830 -10.680 -11.845 1.00 32.05 N ATOM 0 H ARG A 435 -12.900 -10.246 -14.290 1.00 73.04 H new ATOM 0 HA ARG A 435 -12.901 -9.367 -11.581 1.00 51.01 H new ATOM 0 HB2 ARG A 435 -12.144 -12.072 -12.763 1.00 20.15 H new ATOM 0 HB3 ARG A 435 -12.442 -11.754 -11.065 1.00 20.15 H new ATOM 0 HG2 ARG A 435 -14.460 -11.672 -13.338 1.00 1.32 H new ATOM 0 HG3 ARG A 435 -14.405 -12.806 -12.003 1.00 1.32 H new ATOM 0 HD2 ARG A 435 -14.962 -10.991 -10.405 1.00 43.23 H new ATOM 0 HD3 ARG A 435 -14.945 -9.816 -11.705 1.00 43.23 H new ATOM 0 HE ARG A 435 -16.800 -12.073 -12.113 1.00 14.14 H new ATOM 0 HH11 ARG A 435 -16.429 -8.765 -10.868 1.00 42.14 H new ATOM 0 HH12 ARG A 435 -18.161 -8.425 -10.952 1.00 42.14 H new ATOM 0 HH21 ARG A 435 -19.001 -11.620 -12.203 1.00 32.05 H new ATOM 0 HH22 ARG A 435 -19.610 -10.038 -11.706 1.00 32.05 H new ATOM 1940 N TYR A 436 -10.001 -10.407 -12.875 1.00 33.55 N ATOM 1941 CA TYR A 436 -8.532 -10.359 -12.745 1.00 3.23 C ATOM 1942 C TYR A 436 -7.979 -8.955 -13.062 1.00 33.35 C ATOM 1943 O TYR A 436 -6.922 -8.588 -12.558 1.00 23.24 O ATOM 1944 CB TYR A 436 -7.880 -11.439 -13.643 1.00 31.52 C ATOM 1945 CG TYR A 436 -8.069 -12.872 -13.110 1.00 64.33 C ATOM 1946 CD1 TYR A 436 -7.043 -13.522 -12.428 1.00 31.42 C ATOM 1947 CD2 TYR A 436 -9.277 -13.562 -13.277 1.00 64.12 C ATOM 1948 CE1 TYR A 436 -7.208 -14.804 -11.937 1.00 71.44 C ATOM 1949 CE2 TYR A 436 -9.447 -14.842 -12.790 1.00 65.24 C ATOM 1950 CZ TYR A 436 -8.409 -15.461 -12.121 1.00 32.03 C ATOM 1951 OH TYR A 436 -8.572 -16.739 -11.633 1.00 74.55 O ATOM 0 H TYR A 436 -10.328 -10.950 -13.674 1.00 33.55 H new ATOM 0 HA TYR A 436 -8.276 -10.573 -11.708 1.00 3.23 H new ATOM 0 HB2 TYR A 436 -8.304 -11.373 -14.645 1.00 31.52 H new ATOM 0 HB3 TYR A 436 -6.814 -11.231 -13.734 1.00 31.52 H new ATOM 0 HD1 TYR A 436 -6.101 -13.015 -12.280 1.00 31.42 H new ATOM 0 HD2 TYR A 436 -10.092 -13.082 -13.798 1.00 64.12 H new ATOM 0 HE1 TYR A 436 -6.400 -15.290 -11.411 1.00 71.44 H new ATOM 0 HE2 TYR A 436 -10.386 -15.357 -12.931 1.00 65.24 H new ATOM 0 HH TYR A 436 -9.474 -17.058 -11.845 1.00 74.55 H new ATOM 1961 N LYS A 437 -8.724 -8.187 -13.877 1.00 72.11 N ATOM 1962 CA LYS A 437 -8.363 -6.813 -14.276 1.00 62.41 C ATOM 1963 C LYS A 437 -8.545 -5.871 -13.095 1.00 23.44 C ATOM 1964 O LYS A 437 -7.678 -5.048 -12.827 1.00 31.54 O ATOM 1965 CB LYS A 437 -9.237 -6.329 -15.467 1.00 22.21 C ATOM 1966 CG LYS A 437 -8.944 -4.894 -15.950 1.00 53.21 C ATOM 1967 CD LYS A 437 -9.856 -4.451 -17.117 1.00 62.41 C ATOM 1968 CE LYS A 437 -9.460 -3.072 -17.678 1.00 3.12 C ATOM 1969 NZ LYS A 437 -8.098 -3.090 -18.280 1.00 43.11 N ATOM 0 H LYS A 437 -9.604 -8.506 -14.282 1.00 72.11 H new ATOM 0 HA LYS A 437 -7.320 -6.812 -14.592 1.00 62.41 H new ATOM 0 HB2 LYS A 437 -9.096 -7.014 -16.303 1.00 22.21 H new ATOM 0 HB3 LYS A 437 -10.286 -6.392 -15.177 1.00 22.21 H new ATOM 0 HG2 LYS A 437 -9.069 -4.203 -15.116 1.00 53.21 H new ATOM 0 HG3 LYS A 437 -7.903 -4.828 -16.265 1.00 53.21 H new ATOM 0 HD2 LYS A 437 -9.808 -5.193 -17.914 1.00 62.41 H new ATOM 0 HD3 LYS A 437 -10.890 -4.418 -16.774 1.00 62.41 H new ATOM 0 HE2 LYS A 437 -10.186 -2.764 -18.430 1.00 3.12 H new ATOM 0 HE3 LYS A 437 -9.495 -2.331 -16.879 1.00 3.12 H new ATOM 0 HZ1 LYS A 437 -7.953 -2.223 -18.836 1.00 43.11 H new ATOM 0 HZ2 LYS A 437 -7.385 -3.141 -17.524 1.00 43.11 H new ATOM 0 HZ3 LYS A 437 -8.004 -3.919 -18.901 1.00 43.11 H new ATOM 1983 N ALA A 438 -9.692 -6.006 -12.399 1.00 12.32 N ATOM 1984 CA ALA A 438 -9.998 -5.190 -11.222 1.00 51.24 C ATOM 1985 C ALA A 438 -8.982 -5.479 -10.116 1.00 44.31 C ATOM 1986 O ALA A 438 -8.319 -4.562 -9.649 1.00 14.12 O ATOM 1987 CB ALA A 438 -11.431 -5.434 -10.742 1.00 44.02 C ATOM 0 H ALA A 438 -10.421 -6.678 -12.639 1.00 12.32 H new ATOM 0 HA ALA A 438 -9.925 -4.137 -11.493 1.00 51.24 H new ATOM 0 HB1 ALA A 438 -11.632 -4.816 -9.867 1.00 44.02 H new ATOM 0 HB2 ALA A 438 -12.130 -5.175 -11.537 1.00 44.02 H new ATOM 0 HB3 ALA A 438 -11.553 -6.485 -10.479 1.00 44.02 H new ATOM 1993 N GLN A 439 -8.820 -6.777 -9.780 1.00 45.52 N ATOM 1994 CA GLN A 439 -7.869 -7.238 -8.744 1.00 13.53 C ATOM 1995 C GLN A 439 -6.439 -6.753 -9.037 1.00 35.21 C ATOM 1996 O GLN A 439 -5.733 -6.310 -8.120 1.00 64.11 O ATOM 1997 CB GLN A 439 -7.906 -8.787 -8.627 1.00 33.13 C ATOM 1998 CG GLN A 439 -9.235 -9.366 -8.105 1.00 23.53 C ATOM 1999 CD GLN A 439 -9.613 -8.846 -6.718 1.00 45.32 C ATOM 2000 OE1 GLN A 439 -9.215 -9.404 -5.706 1.00 51.52 O ATOM 2001 NE2 GLN A 439 -10.409 -7.790 -6.659 1.00 24.15 N ATOM 0 H GLN A 439 -9.344 -7.534 -10.218 1.00 45.52 H new ATOM 0 HA GLN A 439 -8.177 -6.806 -7.792 1.00 13.53 H new ATOM 0 HB2 GLN A 439 -7.700 -9.216 -9.608 1.00 33.13 H new ATOM 0 HB3 GLN A 439 -7.102 -9.106 -7.964 1.00 33.13 H new ATOM 0 HG2 GLN A 439 -10.032 -9.121 -8.808 1.00 23.53 H new ATOM 0 HG3 GLN A 439 -9.162 -10.453 -8.071 1.00 23.53 H new ATOM 0 HE21 GLN A 439 -10.727 -7.342 -7.519 1.00 24.15 H new ATOM 0 HE22 GLN A 439 -10.704 -7.424 -5.754 1.00 24.15 H new ATOM 2010 N PHE A 440 -6.039 -6.812 -10.329 1.00 62.01 N ATOM 2011 CA PHE A 440 -4.729 -6.325 -10.774 1.00 64.14 C ATOM 2012 C PHE A 440 -4.625 -4.812 -10.537 1.00 22.13 C ATOM 2013 O PHE A 440 -3.863 -4.403 -9.687 1.00 25.23 O ATOM 2014 CB PHE A 440 -4.474 -6.665 -12.270 1.00 0.14 C ATOM 2015 CG PHE A 440 -3.127 -6.171 -12.802 1.00 3.33 C ATOM 2016 CD1 PHE A 440 -1.949 -6.840 -12.475 1.00 41.03 C ATOM 2017 CD2 PHE A 440 -3.034 -5.029 -13.603 1.00 72.44 C ATOM 2018 CE1 PHE A 440 -0.723 -6.381 -12.921 1.00 63.32 C ATOM 2019 CE2 PHE A 440 -1.810 -4.580 -14.051 1.00 14.03 C ATOM 2020 CZ PHE A 440 -0.655 -5.255 -13.711 1.00 74.14 C ATOM 0 H PHE A 440 -6.614 -7.196 -11.079 1.00 62.01 H new ATOM 0 HA PHE A 440 -3.961 -6.830 -10.189 1.00 64.14 H new ATOM 0 HB2 PHE A 440 -4.530 -7.746 -12.401 1.00 0.14 H new ATOM 0 HB3 PHE A 440 -5.272 -6.230 -12.872 1.00 0.14 H new ATOM 0 HD1 PHE A 440 -1.994 -7.730 -11.864 1.00 41.03 H new ATOM 0 HD2 PHE A 440 -3.931 -4.492 -13.874 1.00 72.44 H new ATOM 0 HE1 PHE A 440 0.181 -6.906 -12.650 1.00 63.32 H new ATOM 0 HE2 PHE A 440 -1.755 -3.697 -14.670 1.00 14.03 H new ATOM 0 HZ PHE A 440 0.302 -4.900 -14.064 1.00 74.14 H new ATOM 2030 N THR A 441 -5.478 -4.029 -11.230 1.00 11.35 N ATOM 2031 CA THR A 441 -5.435 -2.547 -11.239 1.00 62.10 C ATOM 2032 C THR A 441 -5.506 -1.946 -9.812 1.00 54.34 C ATOM 2033 O THR A 441 -4.861 -0.937 -9.529 1.00 3.31 O ATOM 2034 CB THR A 441 -6.594 -1.974 -12.126 1.00 4.44 C ATOM 2035 OG1 THR A 441 -6.526 -2.552 -13.442 1.00 53.12 O ATOM 2036 CG2 THR A 441 -6.556 -0.439 -12.250 1.00 64.50 C ATOM 0 H THR A 441 -6.227 -4.411 -11.808 1.00 11.35 H new ATOM 0 HA THR A 441 -4.475 -2.256 -11.665 1.00 62.10 H new ATOM 0 HB THR A 441 -7.529 -2.238 -11.631 1.00 4.44 H new ATOM 0 HG1 THR A 441 -6.911 -3.453 -13.424 1.00 53.12 H new ATOM 0 HG21 THR A 441 -7.383 -0.104 -12.876 1.00 64.50 H new ATOM 0 HG22 THR A 441 -6.646 0.008 -11.260 1.00 64.50 H new ATOM 0 HG23 THR A 441 -5.612 -0.134 -12.702 1.00 64.50 H new ATOM 2044 N GLN A 442 -6.268 -2.610 -8.927 1.00 64.22 N ATOM 2045 CA GLN A 442 -6.446 -2.194 -7.522 1.00 51.12 C ATOM 2046 C GLN A 442 -5.154 -2.412 -6.700 1.00 43.05 C ATOM 2047 O GLN A 442 -4.674 -1.492 -6.028 1.00 74.24 O ATOM 2048 CB GLN A 442 -7.649 -2.952 -6.897 1.00 3.23 C ATOM 2049 CG GLN A 442 -9.030 -2.535 -7.463 1.00 3.32 C ATOM 2050 CD GLN A 442 -10.185 -3.470 -7.079 1.00 71.40 C ATOM 2051 OE1 GLN A 442 -9.920 -4.773 -6.970 1.00 51.34 O flip ATOM 2052 NE2 GLN A 442 -11.323 -3.032 -6.924 1.00 35.21 N flip ATOM 0 H GLN A 442 -6.783 -3.457 -9.166 1.00 64.22 H new ATOM 0 HA GLN A 442 -6.659 -1.125 -7.501 1.00 51.12 H new ATOM 0 HB2 GLN A 442 -7.512 -4.021 -7.057 1.00 3.23 H new ATOM 0 HB3 GLN A 442 -7.647 -2.788 -5.819 1.00 3.23 H new ATOM 0 HG2 GLN A 442 -9.263 -1.529 -7.114 1.00 3.32 H new ATOM 0 HG3 GLN A 442 -8.964 -2.488 -8.550 1.00 3.32 H new ATOM 0 HE21 GLN A 442 -11.501 -2.032 -7.012 1.00 35.21 H new ATOM 0 HE22 GLN A 442 -12.089 -3.669 -6.707 1.00 35.21 H new ATOM 2061 N LEU A 443 -4.586 -3.628 -6.779 1.00 31.31 N ATOM 2062 CA LEU A 443 -3.321 -3.965 -6.087 1.00 73.25 C ATOM 2063 C LEU A 443 -2.102 -3.309 -6.801 1.00 30.13 C ATOM 2064 O LEU A 443 -1.031 -3.192 -6.210 1.00 53.35 O ATOM 2065 CB LEU A 443 -3.141 -5.515 -5.974 1.00 73.15 C ATOM 2066 CG LEU A 443 -3.932 -6.264 -4.838 1.00 34.44 C ATOM 2067 CD1 LEU A 443 -5.457 -6.033 -4.907 1.00 21.44 C ATOM 2068 CD2 LEU A 443 -3.602 -7.773 -4.863 1.00 43.53 C ATOM 0 H LEU A 443 -4.982 -4.399 -7.316 1.00 31.31 H new ATOM 0 HA LEU A 443 -3.372 -3.560 -5.076 1.00 73.25 H new ATOM 0 HB2 LEU A 443 -3.428 -5.956 -6.929 1.00 73.15 H new ATOM 0 HB3 LEU A 443 -2.080 -5.720 -5.834 1.00 73.15 H new ATOM 0 HG LEU A 443 -3.603 -5.838 -3.890 1.00 34.44 H new ATOM 0 HD11 LEU A 443 -5.944 -6.576 -4.097 1.00 21.44 H new ATOM 0 HD12 LEU A 443 -5.669 -4.968 -4.809 1.00 21.44 H new ATOM 0 HD13 LEU A 443 -5.836 -6.391 -5.864 1.00 21.44 H new ATOM 0 HD21 LEU A 443 -4.155 -8.280 -4.072 1.00 43.53 H new ATOM 0 HD22 LEU A 443 -3.885 -8.191 -5.829 1.00 43.53 H new ATOM 0 HD23 LEU A 443 -2.533 -7.914 -4.705 1.00 43.53 H new ATOM 2080 N ASP A 444 -2.297 -2.899 -8.079 1.00 70.53 N ATOM 2081 CA ASP A 444 -1.250 -2.298 -8.939 1.00 4.14 C ATOM 2082 C ASP A 444 -1.082 -0.811 -8.620 1.00 72.40 C ATOM 2083 O ASP A 444 0.050 -0.312 -8.529 1.00 73.14 O ATOM 2084 CB ASP A 444 -1.604 -2.490 -10.443 1.00 4.43 C ATOM 2085 CG ASP A 444 -0.586 -1.850 -11.404 1.00 43.32 C ATOM 2086 OD1 ASP A 444 -0.864 -0.752 -11.952 1.00 75.24 O ATOM 2087 OD2 ASP A 444 0.495 -2.434 -11.602 1.00 33.41 O ATOM 0 H ASP A 444 -3.200 -2.978 -8.547 1.00 70.53 H new ATOM 0 HA ASP A 444 -0.307 -2.805 -8.736 1.00 4.14 H new ATOM 0 HB2 ASP A 444 -1.673 -3.556 -10.658 1.00 4.43 H new ATOM 0 HB3 ASP A 444 -2.588 -2.062 -10.633 1.00 4.43 H new ATOM 2092 N THR A 445 -2.219 -0.103 -8.470 1.00 72.40 N ATOM 2093 CA THR A 445 -2.214 1.292 -8.015 1.00 61.23 C ATOM 2094 C THR A 445 -1.752 1.348 -6.549 1.00 32.23 C ATOM 2095 O THR A 445 -1.079 2.300 -6.150 1.00 0.22 O ATOM 2096 CB THR A 445 -3.606 2.007 -8.196 1.00 22.31 C ATOM 2097 OG1 THR A 445 -3.497 3.406 -7.877 1.00 70.23 O ATOM 2098 CG2 THR A 445 -4.720 1.390 -7.341 1.00 55.11 C ATOM 0 H THR A 445 -3.149 -0.478 -8.658 1.00 72.40 H new ATOM 0 HA THR A 445 -1.514 1.841 -8.645 1.00 61.23 H new ATOM 0 HB THR A 445 -3.879 1.871 -9.243 1.00 22.31 H new ATOM 0 HG1 THR A 445 -4.369 3.837 -7.995 1.00 70.23 H new ATOM 0 HG21 THR A 445 -5.652 1.929 -7.513 1.00 55.11 H new ATOM 0 HG22 THR A 445 -4.851 0.343 -7.614 1.00 55.11 H new ATOM 0 HG23 THR A 445 -4.450 1.459 -6.287 1.00 55.11 H new ATOM 2106 N MET A 446 -2.094 0.290 -5.764 1.00 13.52 N ATOM 2107 CA MET A 446 -1.572 0.126 -4.403 1.00 43.11 C ATOM 2108 C MET A 446 -0.046 -0.030 -4.448 1.00 33.11 C ATOM 2109 O MET A 446 0.644 0.611 -3.681 1.00 44.33 O ATOM 2110 CB MET A 446 -2.202 -1.092 -3.673 1.00 21.42 C ATOM 2111 CG MET A 446 -1.830 -1.173 -2.182 1.00 41.30 C ATOM 2112 SD MET A 446 -2.611 -2.544 -1.308 1.00 13.21 S ATOM 2113 CE MET A 446 -2.016 -2.257 0.363 1.00 1.30 C ATOM 0 H MET A 446 -2.727 -0.453 -6.060 1.00 13.52 H new ATOM 0 HA MET A 446 -1.841 1.020 -3.840 1.00 43.11 H new ATOM 0 HB2 MET A 446 -3.287 -1.040 -3.766 1.00 21.42 H new ATOM 0 HB3 MET A 446 -1.883 -2.008 -4.169 1.00 21.42 H new ATOM 0 HG2 MET A 446 -0.748 -1.267 -2.092 1.00 41.30 H new ATOM 0 HG3 MET A 446 -2.110 -0.238 -1.696 1.00 41.30 H new ATOM 0 HE1 MET A 446 -1.429 -3.114 0.692 1.00 1.30 H new ATOM 0 HE2 MET A 446 -1.393 -1.363 0.379 1.00 1.30 H new ATOM 0 HE3 MET A 446 -2.865 -2.120 1.033 1.00 1.30 H new ATOM 2123 N MET A 447 0.446 -0.856 -5.401 1.00 14.13 N ATOM 2124 CA MET A 447 1.879 -1.189 -5.560 1.00 70.43 C ATOM 2125 C MET A 447 2.732 0.056 -5.839 1.00 74.10 C ATOM 2126 O MET A 447 3.752 0.287 -5.176 1.00 62.32 O ATOM 2127 CB MET A 447 2.068 -2.228 -6.697 1.00 43.30 C ATOM 2128 CG MET A 447 3.534 -2.615 -6.980 1.00 63.21 C ATOM 2129 SD MET A 447 4.423 -3.134 -5.490 1.00 14.02 S ATOM 2130 CE MET A 447 3.425 -4.510 -4.938 1.00 73.31 C ATOM 0 H MET A 447 -0.150 -1.315 -6.090 1.00 14.13 H new ATOM 0 HA MET A 447 2.219 -1.617 -4.617 1.00 70.43 H new ATOM 0 HB2 MET A 447 1.511 -3.130 -6.443 1.00 43.30 H new ATOM 0 HB3 MET A 447 1.629 -1.829 -7.611 1.00 43.30 H new ATOM 0 HG2 MET A 447 3.557 -3.423 -7.711 1.00 63.21 H new ATOM 0 HG3 MET A 447 4.049 -1.765 -7.428 1.00 63.21 H new ATOM 0 HE1 MET A 447 3.919 -5.006 -4.102 1.00 73.31 H new ATOM 0 HE2 MET A 447 2.449 -4.146 -4.618 1.00 73.31 H new ATOM 0 HE3 MET A 447 3.298 -5.219 -5.756 1.00 73.31 H new ATOM 2140 N SER A 448 2.292 0.845 -6.821 1.00 24.31 N ATOM 2141 CA SER A 448 2.998 2.053 -7.244 1.00 71.34 C ATOM 2142 C SER A 448 2.985 3.127 -6.136 1.00 40.13 C ATOM 2143 O SER A 448 4.007 3.778 -5.885 1.00 1.42 O ATOM 2144 CB SER A 448 2.385 2.568 -8.559 1.00 1.11 C ATOM 2145 OG SER A 448 0.968 2.565 -8.501 1.00 52.20 O ATOM 0 H SER A 448 1.436 0.663 -7.345 1.00 24.31 H new ATOM 0 HA SER A 448 4.046 1.813 -7.424 1.00 71.34 H new ATOM 0 HB2 SER A 448 2.741 3.579 -8.758 1.00 1.11 H new ATOM 0 HB3 SER A 448 2.719 1.944 -9.388 1.00 1.11 H new ATOM 0 HG SER A 448 0.605 2.898 -9.348 1.00 52.20 H new ATOM 2151 N LYS A 449 1.833 3.276 -5.451 1.00 20.02 N ATOM 2152 CA LYS A 449 1.696 4.247 -4.354 1.00 72.35 C ATOM 2153 C LYS A 449 2.477 3.802 -3.111 1.00 14.41 C ATOM 2154 O LYS A 449 3.063 4.645 -2.443 1.00 13.42 O ATOM 2155 CB LYS A 449 0.213 4.528 -4.007 1.00 35.32 C ATOM 2156 CG LYS A 449 -0.573 5.215 -5.150 1.00 72.13 C ATOM 2157 CD LYS A 449 -1.961 5.743 -4.709 1.00 60.13 C ATOM 2158 CE LYS A 449 -1.853 6.909 -3.708 1.00 3.03 C ATOM 2159 NZ LYS A 449 -3.173 7.530 -3.424 1.00 14.25 N ATOM 0 H LYS A 449 0.988 2.737 -5.640 1.00 20.02 H new ATOM 0 HA LYS A 449 2.129 5.183 -4.706 1.00 72.35 H new ATOM 0 HB2 LYS A 449 -0.277 3.587 -3.755 1.00 35.32 H new ATOM 0 HB3 LYS A 449 0.170 5.158 -3.118 1.00 35.32 H new ATOM 0 HG2 LYS A 449 0.017 6.045 -5.539 1.00 72.13 H new ATOM 0 HG3 LYS A 449 -0.705 4.507 -5.968 1.00 72.13 H new ATOM 0 HD2 LYS A 449 -2.518 6.071 -5.587 1.00 60.13 H new ATOM 0 HD3 LYS A 449 -2.529 4.930 -4.257 1.00 60.13 H new ATOM 0 HE2 LYS A 449 -1.416 6.547 -2.777 1.00 3.03 H new ATOM 0 HE3 LYS A 449 -1.176 7.665 -4.105 1.00 3.03 H new ATOM 0 HZ1 LYS A 449 -3.194 7.866 -2.440 1.00 14.25 H new ATOM 0 HZ2 LYS A 449 -3.325 8.333 -4.068 1.00 14.25 H new ATOM 0 HZ3 LYS A 449 -3.925 6.826 -3.565 1.00 14.25 H new ATOM 2173 N LEU A 450 2.519 2.475 -2.828 1.00 22.23 N ATOM 2174 CA LEU A 450 3.226 1.948 -1.639 1.00 44.54 C ATOM 2175 C LEU A 450 4.748 2.013 -1.855 1.00 34.34 C ATOM 2176 O LEU A 450 5.521 2.047 -0.895 1.00 11.23 O ATOM 2177 CB LEU A 450 2.720 0.524 -1.194 1.00 41.11 C ATOM 2178 CG LEU A 450 3.049 -0.758 -2.058 1.00 44.35 C ATOM 2179 CD1 LEU A 450 4.510 -1.253 -1.913 1.00 34.21 C ATOM 2180 CD2 LEU A 450 2.070 -1.912 -1.729 1.00 45.11 C ATOM 0 H LEU A 450 2.075 1.759 -3.403 1.00 22.23 H new ATOM 0 HA LEU A 450 2.983 2.594 -0.795 1.00 44.54 H new ATOM 0 HB2 LEU A 450 3.110 0.344 -0.192 1.00 41.11 H new ATOM 0 HB3 LEU A 450 1.635 0.582 -1.108 1.00 41.11 H new ATOM 0 HG LEU A 450 2.924 -0.449 -3.096 1.00 44.35 H new ATOM 0 HD11 LEU A 450 4.659 -2.135 -2.535 1.00 34.21 H new ATOM 0 HD12 LEU A 450 5.194 -0.466 -2.230 1.00 34.21 H new ATOM 0 HD13 LEU A 450 4.707 -1.507 -0.871 1.00 34.21 H new ATOM 0 HD21 LEU A 450 2.317 -2.783 -2.336 1.00 45.11 H new ATOM 0 HD22 LEU A 450 2.154 -2.170 -0.673 1.00 45.11 H new ATOM 0 HD23 LEU A 450 1.049 -1.596 -1.946 1.00 45.11 H new ATOM 2192 N ASN A 451 5.160 2.024 -3.140 1.00 62.43 N ATOM 2193 CA ASN A 451 6.560 2.234 -3.538 1.00 44.42 C ATOM 2194 C ASN A 451 6.973 3.681 -3.222 1.00 40.04 C ATOM 2195 O ASN A 451 7.959 3.906 -2.512 1.00 31.43 O ATOM 2196 CB ASN A 451 6.747 1.908 -5.044 1.00 22.02 C ATOM 2197 CG ASN A 451 8.183 2.118 -5.545 1.00 31.11 C ATOM 2198 OD1 ASN A 451 9.019 1.217 -5.463 1.00 1.12 O ATOM 2199 ND2 ASN A 451 8.478 3.301 -6.071 1.00 3.43 N ATOM 0 H ASN A 451 4.528 1.887 -3.928 1.00 62.43 H new ATOM 0 HA ASN A 451 7.204 1.561 -2.973 1.00 44.42 H new ATOM 0 HB2 ASN A 451 6.457 0.872 -5.222 1.00 22.02 H new ATOM 0 HB3 ASN A 451 6.072 2.533 -5.629 1.00 22.02 H new ATOM 0 HD21 ASN A 451 9.419 3.483 -6.421 1.00 3.43 H new ATOM 0 HD22 ASN A 451 7.764 4.027 -6.125 1.00 3.43 H new ATOM 2206 N ASN A 452 6.166 4.636 -3.727 1.00 22.02 N ATOM 2207 CA ASN A 452 6.362 6.094 -3.529 1.00 61.11 C ATOM 2208 C ASN A 452 6.420 6.453 -2.025 1.00 52.35 C ATOM 2209 O ASN A 452 7.341 7.176 -1.570 1.00 24.53 O ATOM 2210 CB ASN A 452 5.195 6.856 -4.228 1.00 4.34 C ATOM 2211 CG ASN A 452 5.205 8.378 -4.026 1.00 22.50 C ATOM 2212 OD1 ASN A 452 6.258 9.004 -3.903 1.00 34.14 O ATOM 2213 ND2 ASN A 452 4.026 8.986 -4.000 1.00 5.05 N ATOM 0 H ASN A 452 5.346 4.417 -4.293 1.00 22.02 H new ATOM 0 HA ASN A 452 7.314 6.389 -3.970 1.00 61.11 H new ATOM 0 HB2 ASN A 452 5.232 6.646 -5.297 1.00 4.34 H new ATOM 0 HB3 ASN A 452 4.249 6.461 -3.858 1.00 4.34 H new ATOM 0 HD21 ASN A 452 3.976 9.997 -3.876 1.00 5.05 H new ATOM 0 HD22 ASN A 452 3.169 8.442 -4.104 1.00 5.05 H new ATOM 2220 N THR A 453 5.448 5.900 -1.268 1.00 72.30 N ATOM 2221 CA THR A 453 5.308 6.153 0.161 1.00 44.01 C ATOM 2222 C THR A 453 6.556 5.657 0.906 1.00 43.15 C ATOM 2223 O THR A 453 7.279 6.488 1.448 1.00 61.25 O ATOM 2224 CB THR A 453 4.003 5.527 0.744 1.00 3.13 C ATOM 2225 OG1 THR A 453 3.948 4.163 0.379 1.00 14.12 O ATOM 2226 CG2 THR A 453 2.724 6.235 0.249 1.00 15.13 C ATOM 0 H THR A 453 4.742 5.266 -1.643 1.00 72.30 H new ATOM 0 HA THR A 453 5.221 7.230 0.307 1.00 44.01 H new ATOM 0 HB THR A 453 4.039 5.647 1.827 1.00 3.13 H new ATOM 0 HG1 THR A 453 3.439 3.665 1.052 1.00 14.12 H new ATOM 0 HG21 THR A 453 1.849 5.755 0.688 1.00 15.13 H new ATOM 0 HG22 THR A 453 2.750 7.283 0.546 1.00 15.13 H new ATOM 0 HG23 THR A 453 2.668 6.167 -0.837 1.00 15.13 H new ATOM 2234 N SER A 454 6.852 4.330 0.836 1.00 30.25 N ATOM 2235 CA SER A 454 8.024 3.713 1.517 1.00 34.03 C ATOM 2236 C SER A 454 9.354 4.418 1.177 1.00 51.14 C ATOM 2237 O SER A 454 10.262 4.433 2.008 1.00 71.03 O ATOM 2238 CB SER A 454 8.123 2.212 1.171 1.00 34.11 C ATOM 2239 OG SER A 454 8.249 2.034 -0.220 1.00 2.03 O ATOM 0 H SER A 454 6.289 3.662 0.309 1.00 30.25 H new ATOM 0 HA SER A 454 7.859 3.833 2.588 1.00 34.03 H new ATOM 0 HB2 SER A 454 8.981 1.771 1.679 1.00 34.11 H new ATOM 0 HB3 SER A 454 7.236 1.690 1.532 1.00 34.11 H new ATOM 0 HG SER A 454 7.359 2.013 -0.629 1.00 2.03 H new ATOM 2245 N SER A 455 9.447 5.009 -0.042 1.00 11.40 N ATOM 2246 CA SER A 455 10.611 5.806 -0.457 1.00 74.02 C ATOM 2247 C SER A 455 10.812 7.010 0.494 1.00 73.52 C ATOM 2248 O SER A 455 11.828 7.081 1.214 1.00 41.11 O ATOM 2249 CB SER A 455 10.467 6.281 -1.929 1.00 5.05 C ATOM 2250 OG SER A 455 10.455 5.193 -2.839 1.00 24.14 O ATOM 0 H SER A 455 8.719 4.942 -0.753 1.00 11.40 H new ATOM 0 HA SER A 455 11.495 5.171 -0.397 1.00 74.02 H new ATOM 0 HB2 SER A 455 9.546 6.854 -2.037 1.00 5.05 H new ATOM 0 HB3 SER A 455 11.290 6.951 -2.176 1.00 5.05 H new ATOM 0 HG SER A 455 9.612 4.702 -2.751 1.00 24.14 H new ATOM 2256 N TYR A 456 9.818 7.933 0.552 1.00 11.10 N ATOM 2257 CA TYR A 456 9.946 9.138 1.414 1.00 41.03 C ATOM 2258 C TYR A 456 9.781 8.811 2.923 1.00 10.13 C ATOM 2259 O TYR A 456 10.240 9.583 3.770 1.00 53.25 O ATOM 2260 CB TYR A 456 9.014 10.304 0.959 1.00 14.51 C ATOM 2261 CG TYR A 456 7.497 10.018 0.844 1.00 55.31 C ATOM 2262 CD1 TYR A 456 6.721 9.688 1.957 1.00 42.10 C ATOM 2263 CD2 TYR A 456 6.832 10.154 -0.377 1.00 41.33 C ATOM 2264 CE1 TYR A 456 5.356 9.504 1.852 1.00 42.01 C ATOM 2265 CE2 TYR A 456 5.469 9.959 -0.484 1.00 23.13 C ATOM 2266 CZ TYR A 456 4.736 9.639 0.633 1.00 25.21 C ATOM 2267 OH TYR A 456 3.368 9.470 0.535 1.00 65.35 O ATOM 0 H TYR A 456 8.944 7.872 0.030 1.00 11.10 H new ATOM 0 HA TYR A 456 10.969 9.492 1.284 1.00 41.03 H new ATOM 0 HB2 TYR A 456 9.146 11.130 1.658 1.00 14.51 H new ATOM 0 HB3 TYR A 456 9.363 10.651 -0.014 1.00 14.51 H new ATOM 0 HD1 TYR A 456 7.198 9.574 2.919 1.00 42.10 H new ATOM 0 HD2 TYR A 456 7.397 10.418 -1.258 1.00 41.33 H new ATOM 0 HE1 TYR A 456 4.776 9.254 2.728 1.00 42.01 H new ATOM 0 HE2 TYR A 456 4.981 10.058 -1.442 1.00 23.13 H new ATOM 0 HH TYR A 456 3.088 9.600 -0.395 1.00 65.35 H new ATOM 2277 N LEU A 457 9.131 7.664 3.237 1.00 73.23 N ATOM 2278 CA LEU A 457 8.939 7.185 4.626 1.00 42.32 C ATOM 2279 C LEU A 457 10.274 6.737 5.232 1.00 15.31 C ATOM 2280 O LEU A 457 10.545 7.014 6.401 1.00 22.41 O ATOM 2281 CB LEU A 457 7.935 5.992 4.700 1.00 32.44 C ATOM 2282 CG LEU A 457 6.436 6.302 4.435 1.00 23.10 C ATOM 2283 CD1 LEU A 457 5.571 5.021 4.520 1.00 0.44 C ATOM 2284 CD2 LEU A 457 5.928 7.385 5.389 1.00 14.22 C ATOM 0 H LEU A 457 8.726 7.046 2.534 1.00 73.23 H new ATOM 0 HA LEU A 457 8.531 8.023 5.191 1.00 42.32 H new ATOM 0 HB2 LEU A 457 8.255 5.237 3.982 1.00 32.44 H new ATOM 0 HB3 LEU A 457 8.016 5.544 5.690 1.00 32.44 H new ATOM 0 HG LEU A 457 6.347 6.684 3.418 1.00 23.10 H new ATOM 0 HD11 LEU A 457 4.528 5.273 4.330 1.00 0.44 H new ATOM 0 HD12 LEU A 457 5.912 4.302 3.776 1.00 0.44 H new ATOM 0 HD13 LEU A 457 5.663 4.585 5.515 1.00 0.44 H new ATOM 0 HD21 LEU A 457 4.876 7.586 5.185 1.00 14.22 H new ATOM 0 HD22 LEU A 457 6.039 7.044 6.418 1.00 14.22 H new ATOM 0 HD23 LEU A 457 6.506 8.298 5.244 1.00 14.22 H new ATOM 2296 N THR A 458 11.085 6.016 4.429 1.00 13.41 N ATOM 2297 CA THR A 458 12.364 5.469 4.899 1.00 23.54 C ATOM 2298 C THR A 458 13.425 6.575 4.994 1.00 33.13 C ATOM 2299 O THR A 458 14.283 6.530 5.879 1.00 12.33 O ATOM 2300 CB THR A 458 12.862 4.269 4.016 1.00 64.40 C ATOM 2301 OG1 THR A 458 13.823 3.502 4.757 1.00 42.23 O ATOM 2302 CG2 THR A 458 13.491 4.691 2.674 1.00 21.53 C ATOM 0 H THR A 458 10.872 5.802 3.455 1.00 13.41 H new ATOM 0 HA THR A 458 12.197 5.068 5.899 1.00 23.54 H new ATOM 0 HB THR A 458 11.976 3.682 3.774 1.00 64.40 H new ATOM 0 HG1 THR A 458 14.135 2.751 4.209 1.00 42.23 H new ATOM 0 HG21 THR A 458 13.808 3.804 2.126 1.00 21.53 H new ATOM 0 HG22 THR A 458 12.756 5.239 2.084 1.00 21.53 H new ATOM 0 HG23 THR A 458 14.354 5.330 2.862 1.00 21.53 H new ATOM 2310 N GLN A 459 13.345 7.575 4.080 1.00 45.32 N ATOM 2311 CA GLN A 459 14.182 8.794 4.156 1.00 54.31 C ATOM 2312 C GLN A 459 13.866 9.581 5.445 1.00 32.41 C ATOM 2313 O GLN A 459 14.780 10.048 6.144 1.00 30.11 O ATOM 2314 CB GLN A 459 13.964 9.685 2.907 1.00 23.24 C ATOM 2315 CG GLN A 459 14.418 9.043 1.581 1.00 15.41 C ATOM 2316 CD GLN A 459 14.206 9.925 0.345 1.00 55.45 C ATOM 2317 OE1 GLN A 459 13.138 10.716 0.327 1.00 4.41 O flip ATOM 2318 NE2 GLN A 459 14.984 9.871 -0.615 1.00 72.51 N flip ATOM 0 H GLN A 459 12.709 7.559 3.283 1.00 45.32 H new ATOM 0 HA GLN A 459 15.229 8.493 4.181 1.00 54.31 H new ATOM 0 HB2 GLN A 459 12.905 9.933 2.833 1.00 23.24 H new ATOM 0 HB3 GLN A 459 14.502 10.623 3.046 1.00 23.24 H new ATOM 0 HG2 GLN A 459 15.476 8.792 1.656 1.00 15.41 H new ATOM 0 HG3 GLN A 459 13.878 8.107 1.441 1.00 15.41 H new ATOM 0 HE21 GLN A 459 15.797 9.256 -0.578 1.00 72.51 H new ATOM 0 HE22 GLN A 459 14.812 10.441 -1.443 1.00 72.51 H new ATOM 2327 N GLN A 460 12.554 9.686 5.746 1.00 34.02 N ATOM 2328 CA GLN A 460 12.048 10.304 6.978 1.00 71.40 C ATOM 2329 C GLN A 460 12.525 9.516 8.207 1.00 4.14 C ATOM 2330 O GLN A 460 12.906 10.113 9.201 1.00 43.24 O ATOM 2331 CB GLN A 460 10.498 10.373 6.954 1.00 24.35 C ATOM 2332 CG GLN A 460 9.838 10.990 8.215 1.00 3.25 C ATOM 2333 CD GLN A 460 10.261 12.440 8.473 1.00 22.44 C ATOM 2334 OE1 GLN A 460 9.650 13.384 7.974 1.00 14.11 O ATOM 2335 NE2 GLN A 460 11.303 12.624 9.268 1.00 71.24 N ATOM 0 H GLN A 460 11.816 9.340 5.133 1.00 34.02 H new ATOM 0 HA GLN A 460 12.440 11.319 7.040 1.00 71.40 H new ATOM 0 HB2 GLN A 460 10.191 10.953 6.084 1.00 24.35 H new ATOM 0 HB3 GLN A 460 10.109 9.364 6.818 1.00 24.35 H new ATOM 0 HG2 GLN A 460 8.754 10.949 8.106 1.00 3.25 H new ATOM 0 HG3 GLN A 460 10.094 10.384 9.084 1.00 3.25 H new ATOM 0 HE21 GLN A 460 11.789 11.820 9.666 1.00 71.24 H new ATOM 0 HE22 GLN A 460 11.620 13.569 9.482 1.00 71.24 H new ATOM 2344 N PHE A 461 12.517 8.176 8.103 1.00 25.41 N ATOM 2345 CA PHE A 461 12.938 7.282 9.193 1.00 23.50 C ATOM 2346 C PHE A 461 14.430 7.477 9.498 1.00 20.02 C ATOM 2347 O PHE A 461 14.829 7.504 10.664 1.00 64.24 O ATOM 2348 CB PHE A 461 12.646 5.800 8.822 1.00 63.34 C ATOM 2349 CG PHE A 461 12.924 4.780 9.932 1.00 71.14 C ATOM 2350 CD1 PHE A 461 12.438 4.982 11.230 1.00 22.24 C ATOM 2351 CD2 PHE A 461 13.660 3.615 9.683 1.00 45.33 C ATOM 2352 CE1 PHE A 461 12.685 4.062 12.233 1.00 65.21 C ATOM 2353 CE2 PHE A 461 13.900 2.697 10.691 1.00 33.35 C ATOM 2354 CZ PHE A 461 13.416 2.923 11.964 1.00 20.11 C ATOM 0 H PHE A 461 12.219 7.683 7.261 1.00 25.41 H new ATOM 0 HA PHE A 461 12.368 7.532 10.088 1.00 23.50 H new ATOM 0 HB2 PHE A 461 11.600 5.716 8.527 1.00 63.34 H new ATOM 0 HB3 PHE A 461 13.245 5.536 7.950 1.00 63.34 H new ATOM 0 HD1 PHE A 461 11.862 5.869 11.451 1.00 22.24 H new ATOM 0 HD2 PHE A 461 14.046 3.430 8.691 1.00 45.33 H new ATOM 0 HE1 PHE A 461 12.305 4.236 13.229 1.00 65.21 H new ATOM 0 HE2 PHE A 461 14.467 1.802 10.481 1.00 33.35 H new ATOM 0 HZ PHE A 461 13.610 2.208 12.750 1.00 20.11 H new ATOM 2364 N THR A 462 15.232 7.639 8.429 1.00 22.21 N ATOM 2365 CA THR A 462 16.681 7.829 8.529 1.00 11.32 C ATOM 2366 C THR A 462 17.006 9.143 9.265 1.00 33.40 C ATOM 2367 O THR A 462 17.831 9.146 10.168 1.00 1.21 O ATOM 2368 CB THR A 462 17.351 7.799 7.112 1.00 3.31 C ATOM 2369 OG1 THR A 462 17.007 6.569 6.456 1.00 72.32 O ATOM 2370 CG2 THR A 462 18.883 7.915 7.177 1.00 44.34 C ATOM 0 H THR A 462 14.886 7.641 7.470 1.00 22.21 H new ATOM 0 HA THR A 462 17.093 7.003 9.109 1.00 11.32 H new ATOM 0 HB THR A 462 16.979 8.661 6.559 1.00 3.31 H new ATOM 0 HG1 THR A 462 16.050 6.568 6.243 1.00 72.32 H new ATOM 0 HG21 THR A 462 19.293 7.889 6.167 1.00 44.34 H new ATOM 0 HG22 THR A 462 19.157 8.855 7.655 1.00 44.34 H new ATOM 0 HG23 THR A 462 19.287 7.083 7.754 1.00 44.34 H new ATOM 2378 N ALA A 463 16.305 10.234 8.904 1.00 14.44 N ATOM 2379 CA ALA A 463 16.528 11.567 9.513 1.00 74.42 C ATOM 2380 C ALA A 463 15.985 11.636 10.961 1.00 43.22 C ATOM 2381 O ALA A 463 16.702 12.019 11.894 1.00 70.32 O ATOM 2382 CB ALA A 463 15.886 12.654 8.636 1.00 51.31 C ATOM 0 H ALA A 463 15.576 10.222 8.191 1.00 14.44 H new ATOM 0 HA ALA A 463 17.603 11.740 9.567 1.00 74.42 H new ATOM 0 HB1 ALA A 463 16.053 13.632 9.088 1.00 51.31 H new ATOM 0 HB2 ALA A 463 16.335 12.632 7.643 1.00 51.31 H new ATOM 0 HB3 ALA A 463 14.815 12.470 8.554 1.00 51.31 H new ATOM 2388 N MET A 464 14.723 11.223 11.130 1.00 72.43 N ATOM 2389 CA MET A 464 13.989 11.319 12.412 1.00 34.33 C ATOM 2390 C MET A 464 14.649 10.456 13.508 1.00 43.42 C ATOM 2391 O MET A 464 14.656 10.833 14.684 1.00 65.34 O ATOM 2392 CB MET A 464 12.510 10.898 12.191 1.00 31.03 C ATOM 2393 CG MET A 464 11.615 10.962 13.434 1.00 43.03 C ATOM 2394 SD MET A 464 9.901 10.522 13.088 1.00 32.22 S ATOM 2395 CE MET A 464 9.357 11.898 12.074 1.00 23.33 C ATOM 0 H MET A 464 14.172 10.808 10.379 1.00 72.43 H new ATOM 0 HA MET A 464 14.022 12.353 12.756 1.00 34.33 H new ATOM 0 HB2 MET A 464 12.079 11.538 11.421 1.00 31.03 H new ATOM 0 HB3 MET A 464 12.494 9.879 11.805 1.00 31.03 H new ATOM 0 HG2 MET A 464 12.011 10.290 14.195 1.00 43.03 H new ATOM 0 HG3 MET A 464 11.650 11.969 13.849 1.00 43.03 H new ATOM 0 HE1 MET A 464 8.275 12.004 12.155 1.00 23.33 H new ATOM 0 HE2 MET A 464 9.838 12.814 12.416 1.00 23.33 H new ATOM 0 HE3 MET A 464 9.626 11.713 11.034 1.00 23.33 H new ATOM 2405 N ASN A 465 15.240 9.320 13.109 1.00 21.14 N ATOM 2406 CA ASN A 465 15.926 8.411 14.043 1.00 0.22 C ATOM 2407 C ASN A 465 17.417 8.819 14.184 1.00 61.25 C ATOM 2408 O ASN A 465 17.882 9.063 15.300 1.00 25.40 O ATOM 2409 CB ASN A 465 15.741 6.939 13.587 1.00 4.30 C ATOM 2410 CG ASN A 465 16.227 5.888 14.592 1.00 61.33 C ATOM 2411 OD1 ASN A 465 16.286 6.130 15.799 1.00 12.21 O ATOM 2412 ND2 ASN A 465 16.524 4.691 14.102 1.00 1.40 N ATOM 0 H ASN A 465 15.257 9.006 12.139 1.00 21.14 H new ATOM 0 HA ASN A 465 15.481 8.492 15.035 1.00 0.22 H new ATOM 0 HB2 ASN A 465 14.684 6.766 13.385 1.00 4.30 H new ATOM 0 HB3 ASN A 465 16.273 6.795 12.647 1.00 4.30 H new ATOM 0 HD21 ASN A 465 16.811 3.940 14.730 1.00 1.40 H new ATOM 0 HD22 ASN A 465 16.465 4.522 13.098 1.00 1.40 H new ATOM 2419 N LYS A 466 18.173 8.884 13.062 1.00 32.14 N ATOM 2420 CA LYS A 466 19.582 9.390 13.070 1.00 32.30 C ATOM 2421 C LYS A 466 19.807 10.532 12.032 1.00 61.44 C ATOM 2422 O LYS A 466 20.289 10.294 10.913 1.00 20.32 O ATOM 2423 CB LYS A 466 20.629 8.222 12.912 1.00 52.13 C ATOM 2424 CG LYS A 466 20.572 7.360 11.612 1.00 65.45 C ATOM 2425 CD LYS A 466 19.377 6.384 11.557 1.00 22.14 C ATOM 2426 CE LYS A 466 19.410 5.321 12.677 1.00 11.03 C ATOM 2427 NZ LYS A 466 20.560 4.388 12.534 1.00 21.43 N ATOM 0 H LYS A 466 17.841 8.596 12.142 1.00 32.14 H new ATOM 0 HA LYS A 466 19.751 9.831 14.052 1.00 32.30 H new ATOM 0 HB2 LYS A 466 21.627 8.656 12.982 1.00 52.13 H new ATOM 0 HB3 LYS A 466 20.512 7.551 13.763 1.00 52.13 H new ATOM 0 HG2 LYS A 466 20.525 8.025 10.749 1.00 65.45 H new ATOM 0 HG3 LYS A 466 21.497 6.790 11.525 1.00 65.45 H new ATOM 0 HD2 LYS A 466 18.449 6.951 11.630 1.00 22.14 H new ATOM 0 HD3 LYS A 466 19.369 5.883 10.589 1.00 22.14 H new ATOM 0 HE2 LYS A 466 19.466 5.818 13.645 1.00 11.03 H new ATOM 0 HE3 LYS A 466 18.480 4.753 12.664 1.00 11.03 H new ATOM 0 HZ1 LYS A 466 20.513 3.662 13.277 1.00 21.43 H new ATOM 0 HZ2 LYS A 466 20.522 3.931 11.601 1.00 21.43 H new ATOM 0 HZ3 LYS A 466 21.450 4.918 12.624 1.00 21.43 H new ATOM 2441 N SER A 467 19.378 11.762 12.367 1.00 31.42 N ATOM 2442 CA SER A 467 19.767 12.974 11.610 1.00 34.13 C ATOM 2443 C SER A 467 21.304 13.219 11.713 1.00 64.05 C ATOM 2444 O SER A 467 21.777 13.632 12.792 1.00 4.11 O ATOM 2445 CB SER A 467 18.950 14.197 12.100 1.00 15.25 C ATOM 2446 OG SER A 467 18.954 14.301 13.518 1.00 23.44 O ATOM 2447 OXT SER A 467 22.025 12.972 10.723 1.00 37.56 O ATOM 0 H SER A 467 18.761 11.947 13.158 1.00 31.42 H new ATOM 0 HA SER A 467 19.536 12.823 10.555 1.00 34.13 H new ATOM 0 HB2 SER A 467 19.364 15.108 11.668 1.00 15.25 H new ATOM 0 HB3 SER A 467 17.923 14.114 11.745 1.00 15.25 H new ATOM 0 HG SER A 467 19.857 14.127 13.856 1.00 23.44 H new TER 2453 SER A 467