USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=54 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 465 ASN : amide:sc= 0.108 K(o=0.18,f=-1.5) USER MOD Set 1.2: A 466 LYS NZ :NH3+ 149:sc= 0.0681 (180deg=0) USER MOD Set 2.1: A 79 LYS NZ :NH3+ 176:sc= 0.0578 (180deg=-0.0321) USER MOD Set 2.2: A 451 ASN : amide:sc= 0.0482 K(o=0.11,f=-4.2!) USER MOD Set 3.1: A 48 MET CE :methyl -124:sc= 0 (180deg=-1.8!) USER MOD Set 3.2: A 52 THR OG1 : rot -150:sc= 0 USER MOD Set 3.3: A 460 GLN : amide:sc= -0.471 X(o=-1,f=-0.62) USER MOD Set 3.4: A 464 MET CE :methyl -174:sc= -0.525 (180deg=-0.537) USER MOD Set 4.1: A 40 TYR OH : rot -12:sc= 0.501 USER MOD Set 4.2: A 71 THR OG1 : rot -150:sc= 1.01 USER MOD Set 5.1: A 18 SER OG : rot -21:sc= 0.703 USER MOD Set 5.2: A 74 ASN :FLIP amide:sc= 0.485 F(o=0.48,f=1.2) USER MOD Set 6.1: A 2 THR OG1 : rot 180:sc= -0.0277 USER MOD Set 6.2: A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= -0.0142 (180deg=-0.0352) USER MOD Single : A 4 THR OG1 : rot -123:sc= 0.393 USER MOD Single : A 9 ASN :FLIP amide:sc= 0 F(o=-1.3,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 20 SER OG : rot 82:sc= 0.958 USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.026) USER MOD Single : A 36 GLN : amide:sc=-0.00739 K(o=-0.0074,f=-0.66) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 43 SER OG : rot 76:sc= 1.23 USER MOD Single : A 46 THR OG1 : rot -32:sc= 0.0332 USER MOD Single : A 50 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.53) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00168 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 63 MET CE :methyl 161:sc= -2.38 (180deg=-3.08!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 160:sc= -0.353 (180deg=-0.882) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.8 F(o=-2.2!,f=-0.8) USER MOD Single : A 76 GLN :FLIP amide:sc=-7.3e-05 F(o=-0.73,f=-7.3e-05) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.317 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=-0.00362 X(o=-0.0036,f=-0.0036) USER MOD Single : A 99 GLN :FLIP amide:sc= -0.0517 F(o=-0.7,f=-0.052) 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 59:sc= 0.292 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+ 175:sc=-0.00632 (180deg=-0.0638) USER MOD Single : A 439 GLN : amide:sc= -0.0518 K(o=-0.052,f=-1.2) USER MOD Single : A 441 THR OG1 : rot 80:sc= 0.624 USER MOD Single : A 442 GLN :FLIP amide:sc=-0.00895 F(o=-0.8,f=-0.009) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -129:sc= -0.24 (180deg=-2.92!) USER MOD Single : A 447 MET CE :methyl -126:sc= -0.469 (180deg=-2.44) USER MOD Single : A 448 SER OG : rot -9:sc= 0.0922 USER MOD Single : A 449 LYS NZ :NH3+ 175:sc= 0.616 (180deg=0.597) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 453 THR OG1 : rot 152:sc= -1.2 USER MOD Single : A 454 SER OG : rot -82:sc= 1.03 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot -165:sc= -0.895 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= -0.141 F(o=-1.4,f=-0.14) USER MOD Single : A 462 THR OG1 : rot 79:sc= 0.8 USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.257 20.899 21.786 1.00 63.01 N ATOM 2 CA MET A 1 -0.355 20.723 20.632 1.00 22.42 C ATOM 3 C MET A 1 -1.119 20.095 19.437 1.00 14.11 C ATOM 4 O MET A 1 -1.206 18.881 19.319 1.00 33.44 O ATOM 5 CB MET A 1 0.886 19.880 21.057 1.00 2.35 C ATOM 6 CG MET A 1 0.578 18.515 21.707 1.00 22.33 C ATOM 7 SD MET A 1 2.073 17.624 22.181 1.00 64.24 S ATOM 8 CE MET A 1 1.397 16.054 22.720 1.00 75.40 C ATOM 0 H1 MET A 1 -0.719 21.273 22.593 1.00 63.01 H new ATOM 0 H2 MET A 1 -2.014 21.566 21.536 1.00 63.01 H new ATOM 0 H3 MET A 1 -1.675 19.982 22.043 1.00 63.01 H new ATOM 0 HA MET A 1 0.007 21.695 20.297 1.00 22.42 H new ATOM 0 HB2 MET A 1 1.506 19.711 20.176 1.00 2.35 H new ATOM 0 HB3 MET A 1 1.480 20.469 21.756 1.00 2.35 H new ATOM 0 HG2 MET A 1 -0.045 18.668 22.588 1.00 22.33 H new ATOM 0 HG3 MET A 1 0.001 17.906 21.011 1.00 22.33 H new ATOM 0 HE1 MET A 1 2.208 15.400 23.042 1.00 75.40 H new ATOM 0 HE2 MET A 1 0.712 16.219 23.551 1.00 75.40 H new ATOM 0 HE3 MET A 1 0.860 15.586 21.895 1.00 75.40 H new ATOM 20 N THR A 2 -1.671 20.951 18.556 1.00 71.35 N ATOM 21 CA THR A 2 -2.526 20.527 17.419 1.00 52.23 C ATOM 22 C THR A 2 -1.761 19.671 16.394 1.00 11.22 C ATOM 23 O THR A 2 -2.116 18.511 16.143 1.00 22.42 O ATOM 24 CB THR A 2 -3.165 21.772 16.707 1.00 50.40 C ATOM 25 OG1 THR A 2 -2.133 22.716 16.353 1.00 32.14 O ATOM 26 CG2 THR A 2 -4.212 22.470 17.598 1.00 74.51 C ATOM 0 H THR A 2 -1.539 21.961 18.609 1.00 71.35 H new ATOM 0 HA THR A 2 -3.317 19.906 17.839 1.00 52.23 H new ATOM 0 HB THR A 2 -3.671 21.414 15.810 1.00 50.40 H new ATOM 0 HG1 THR A 2 -2.537 23.490 15.908 1.00 32.14 H new ATOM 0 HG21 THR A 2 -4.629 23.326 17.067 1.00 74.51 H new ATOM 0 HG22 THR A 2 -5.010 21.768 17.839 1.00 74.51 H new ATOM 0 HG23 THR A 2 -3.738 22.810 18.519 1.00 74.51 H new ATOM 34 N SER A 3 -0.694 20.257 15.840 1.00 50.43 N ATOM 35 CA SER A 3 0.126 19.639 14.793 1.00 1.53 C ATOM 36 C SER A 3 0.865 18.391 15.320 1.00 35.32 C ATOM 37 O SER A 3 1.061 17.410 14.584 1.00 54.14 O ATOM 38 CB SER A 3 1.112 20.687 14.239 1.00 33.01 C ATOM 39 OG SER A 3 0.421 21.837 13.760 1.00 22.32 O ATOM 0 H SER A 3 -0.372 21.186 16.110 1.00 50.43 H new ATOM 0 HA SER A 3 -0.523 19.300 13.985 1.00 1.53 H new ATOM 0 HB2 SER A 3 1.814 20.979 15.020 1.00 33.01 H new ATOM 0 HB3 SER A 3 1.698 20.248 13.432 1.00 33.01 H new ATOM 0 HG SER A 3 1.068 22.487 13.416 1.00 22.32 H new ATOM 45 N THR A 4 1.228 18.427 16.609 1.00 1.14 N ATOM 46 CA THR A 4 1.953 17.337 17.261 1.00 55.45 C ATOM 47 C THR A 4 1.021 16.146 17.583 1.00 42.23 C ATOM 48 O THR A 4 1.418 15.007 17.390 1.00 23.45 O ATOM 49 CB THR A 4 2.679 17.838 18.547 1.00 23.15 C ATOM 50 OG1 THR A 4 3.511 18.959 18.209 1.00 54.44 O ATOM 51 CG2 THR A 4 3.531 16.736 19.213 1.00 3.15 C ATOM 0 H THR A 4 1.026 19.214 17.226 1.00 1.14 H new ATOM 0 HA THR A 4 2.709 16.983 16.560 1.00 55.45 H new ATOM 0 HB THR A 4 1.916 18.130 19.268 1.00 23.15 H new ATOM 0 HG1 THR A 4 4.437 18.768 18.466 1.00 54.44 H new ATOM 0 HG21 THR A 4 4.014 17.138 20.103 1.00 3.15 H new ATOM 0 HG22 THR A 4 2.890 15.900 19.494 1.00 3.15 H new ATOM 0 HG23 THR A 4 4.291 16.390 18.512 1.00 3.15 H new ATOM 59 N VAL A 5 -0.221 16.403 18.045 1.00 44.15 N ATOM 60 CA VAL A 5 -1.149 15.310 18.435 1.00 72.33 C ATOM 61 C VAL A 5 -1.685 14.573 17.186 1.00 53.32 C ATOM 62 O VAL A 5 -1.834 13.350 17.213 1.00 42.31 O ATOM 63 CB VAL A 5 -2.338 15.790 19.358 1.00 72.14 C ATOM 64 CG1 VAL A 5 -3.343 16.685 18.604 1.00 30.41 C ATOM 65 CG2 VAL A 5 -3.055 14.588 20.036 1.00 20.41 C ATOM 0 H VAL A 5 -0.604 17.342 18.158 1.00 44.15 H new ATOM 0 HA VAL A 5 -0.562 14.615 19.036 1.00 72.33 H new ATOM 0 HB VAL A 5 -1.894 16.402 20.143 1.00 72.14 H new ATOM 0 HG11 VAL A 5 -4.141 16.988 19.282 1.00 30.41 H new ATOM 0 HG12 VAL A 5 -2.831 17.570 18.228 1.00 30.41 H new ATOM 0 HG13 VAL A 5 -3.769 16.130 17.768 1.00 30.41 H new ATOM 0 HG21 VAL A 5 -3.867 14.956 20.663 1.00 20.41 H new ATOM 0 HG22 VAL A 5 -3.459 13.926 19.270 1.00 20.41 H new ATOM 0 HG23 VAL A 5 -2.342 14.039 20.651 1.00 20.41 H new ATOM 75 N GLU A 6 -1.946 15.318 16.086 1.00 72.35 N ATOM 76 CA GLU A 6 -2.371 14.714 14.802 1.00 23.13 C ATOM 77 C GLU A 6 -1.214 13.873 14.211 1.00 1.23 C ATOM 78 O GLU A 6 -1.442 12.803 13.643 1.00 53.14 O ATOM 79 CB GLU A 6 -2.850 15.804 13.802 1.00 13.33 C ATOM 80 CG GLU A 6 -1.757 16.785 13.341 1.00 62.44 C ATOM 81 CD GLU A 6 -2.237 17.840 12.337 1.00 24.41 C ATOM 82 OE1 GLU A 6 -2.597 18.967 12.748 1.00 44.22 O ATOM 83 OE2 GLU A 6 -2.236 17.554 11.127 1.00 3.42 O ATOM 0 H GLU A 6 -1.870 16.335 16.062 1.00 72.35 H new ATOM 0 HA GLU A 6 -3.219 14.054 14.987 1.00 23.13 H new ATOM 0 HB2 GLU A 6 -3.270 15.312 12.925 1.00 13.33 H new ATOM 0 HB3 GLU A 6 -3.656 16.373 14.265 1.00 13.33 H new ATOM 0 HG2 GLU A 6 -1.348 17.292 14.215 1.00 62.44 H new ATOM 0 HG3 GLU A 6 -0.942 16.217 12.892 1.00 62.44 H new ATOM 90 N PHE A 7 0.023 14.385 14.374 1.00 32.21 N ATOM 91 CA PHE A 7 1.266 13.666 14.048 1.00 61.43 C ATOM 92 C PHE A 7 1.316 12.294 14.783 1.00 24.21 C ATOM 93 O PHE A 7 1.339 11.249 14.133 1.00 33.02 O ATOM 94 CB PHE A 7 2.462 14.585 14.424 1.00 71.13 C ATOM 95 CG PHE A 7 3.861 14.004 14.287 1.00 64.52 C ATOM 96 CD1 PHE A 7 4.563 14.095 13.089 1.00 31.43 C ATOM 97 CD2 PHE A 7 4.492 13.408 15.379 1.00 43.33 C ATOM 98 CE1 PHE A 7 5.851 13.611 12.994 1.00 4.25 C ATOM 99 CE2 PHE A 7 5.774 12.922 15.273 1.00 51.10 C ATOM 100 CZ PHE A 7 6.452 13.024 14.082 1.00 43.33 C ATOM 0 H PHE A 7 0.186 15.323 14.741 1.00 32.21 H new ATOM 0 HA PHE A 7 1.315 13.440 12.983 1.00 61.43 H new ATOM 0 HB2 PHE A 7 2.407 15.480 13.804 1.00 71.13 H new ATOM 0 HB3 PHE A 7 2.330 14.904 15.458 1.00 71.13 H new ATOM 0 HD1 PHE A 7 4.096 14.548 12.227 1.00 31.43 H new ATOM 0 HD2 PHE A 7 3.967 13.327 16.319 1.00 43.33 H new ATOM 0 HE1 PHE A 7 6.389 13.693 12.061 1.00 4.25 H new ATOM 0 HE2 PHE A 7 6.248 12.460 16.126 1.00 51.10 H new ATOM 0 HZ PHE A 7 7.459 12.642 14.001 1.00 43.33 H new ATOM 110 N ILE A 8 1.253 12.330 16.134 1.00 21.31 N ATOM 111 CA ILE A 8 1.325 11.132 17.013 1.00 32.23 C ATOM 112 C ILE A 8 0.259 10.087 16.637 1.00 31.53 C ATOM 113 O ILE A 8 0.580 8.934 16.309 1.00 65.23 O ATOM 114 CB ILE A 8 1.096 11.533 18.524 1.00 62.43 C ATOM 115 CG1 ILE A 8 2.190 12.511 19.020 1.00 61.23 C ATOM 116 CG2 ILE A 8 1.020 10.289 19.446 1.00 34.44 C ATOM 117 CD1 ILE A 8 1.924 13.108 20.389 1.00 33.13 C ATOM 0 H ILE A 8 1.149 13.201 16.654 1.00 21.31 H new ATOM 0 HA ILE A 8 2.319 10.705 16.877 1.00 32.23 H new ATOM 0 HB ILE A 8 0.134 12.043 18.574 1.00 62.43 H new ATOM 0 HG12 ILE A 8 3.145 11.986 19.046 1.00 61.23 H new ATOM 0 HG13 ILE A 8 2.291 13.321 18.297 1.00 61.23 H new ATOM 0 HG21 ILE A 8 0.862 10.609 20.476 1.00 34.44 H new ATOM 0 HG22 ILE A 8 0.192 9.654 19.132 1.00 34.44 H new ATOM 0 HG23 ILE A 8 1.953 9.729 19.379 1.00 34.44 H new ATOM 0 HD11 ILE A 8 2.739 13.780 20.658 1.00 33.13 H new ATOM 0 HD12 ILE A 8 0.987 13.665 20.367 1.00 33.13 H new ATOM 0 HD13 ILE A 8 1.854 12.309 21.127 1.00 33.13 H new ATOM 129 N ASN A 9 -1.007 10.536 16.706 1.00 62.45 N ATOM 130 CA ASN A 9 -2.192 9.676 16.583 1.00 12.03 C ATOM 131 C ASN A 9 -2.233 8.971 15.231 1.00 45.22 C ATOM 132 O ASN A 9 -2.387 7.751 15.176 1.00 30.23 O ATOM 133 CB ASN A 9 -3.495 10.499 16.803 1.00 44.25 C ATOM 134 CG ASN A 9 -3.734 10.930 18.265 1.00 23.31 C ATOM 135 OD1 ASN A 9 -2.681 11.213 19.039 1.00 52.44 O flip ATOM 136 ND2 ASN A 9 -4.879 11.014 18.699 1.00 14.41 N flip ATOM 0 H ASN A 9 -1.236 11.519 16.851 1.00 62.45 H new ATOM 0 HA ASN A 9 -2.125 8.912 17.358 1.00 12.03 H new ATOM 0 HB2 ASN A 9 -3.459 11.389 16.175 1.00 44.25 H new ATOM 0 HB3 ASN A 9 -4.346 9.907 16.467 1.00 44.25 H new ATOM 0 HD21 ASN A 9 -5.671 10.794 18.095 1.00 14.41 H new ATOM 0 HD22 ASN A 9 -5.039 11.303 19.664 1.00 14.41 H new ATOM 143 N ARG A 10 -2.050 9.745 14.145 1.00 60.22 N ATOM 144 CA ARG A 10 -2.150 9.205 12.781 1.00 73.34 C ATOM 145 C ARG A 10 -0.980 8.272 12.460 1.00 72.21 C ATOM 146 O ARG A 10 -1.199 7.273 11.804 1.00 11.25 O ATOM 147 CB ARG A 10 -2.272 10.319 11.724 1.00 31.35 C ATOM 148 CG ARG A 10 -3.518 11.214 11.904 1.00 70.44 C ATOM 149 CD ARG A 10 -3.597 12.324 10.850 1.00 2.23 C ATOM 150 NE ARG A 10 -2.355 13.121 10.795 1.00 53.01 N ATOM 151 CZ ARG A 10 -2.265 14.405 10.427 1.00 51.44 C ATOM 152 NH1 ARG A 10 -3.339 15.101 10.072 1.00 32.20 N ATOM 153 NH2 ARG A 10 -1.078 14.996 10.427 1.00 51.24 N ATOM 0 H ARG A 10 -1.833 10.741 14.187 1.00 60.22 H new ATOM 0 HA ARG A 10 -3.068 8.619 12.742 1.00 73.34 H new ATOM 0 HB2 ARG A 10 -1.379 10.943 11.762 1.00 31.35 H new ATOM 0 HB3 ARG A 10 -2.302 9.866 10.733 1.00 31.35 H new ATOM 0 HG2 ARG A 10 -4.416 10.598 11.847 1.00 70.44 H new ATOM 0 HG3 ARG A 10 -3.500 11.661 12.898 1.00 70.44 H new ATOM 0 HD2 ARG A 10 -3.789 11.883 9.872 1.00 2.23 H new ATOM 0 HD3 ARG A 10 -4.439 12.979 11.075 1.00 2.23 H new ATOM 0 HE ARG A 10 -1.489 12.652 11.061 1.00 53.01 H new ATOM 0 HH11 ARG A 10 -4.258 14.658 10.076 1.00 32.20 H new ATOM 0 HH12 ARG A 10 -3.245 16.078 9.795 1.00 32.20 H new ATOM 0 HH21 ARG A 10 -0.248 14.473 10.705 1.00 51.24 H new ATOM 0 HH22 ARG A 10 -0.995 15.974 10.149 1.00 51.24 H new ATOM 167 N TRP A 11 0.251 8.583 12.949 1.00 21.54 N ATOM 168 CA TRP A 11 1.421 7.667 12.802 1.00 40.12 C ATOM 169 C TRP A 11 1.129 6.302 13.449 1.00 3.24 C ATOM 170 O TRP A 11 1.459 5.250 12.878 1.00 60.41 O ATOM 171 CB TRP A 11 2.728 8.259 13.409 1.00 12.11 C ATOM 172 CG TRP A 11 3.519 9.158 12.478 1.00 11.31 C ATOM 173 CD1 TRP A 11 3.845 10.464 12.674 1.00 23.21 C ATOM 174 CD2 TRP A 11 4.103 8.797 11.213 1.00 23.13 C ATOM 175 NE1 TRP A 11 4.584 10.934 11.630 1.00 30.11 N ATOM 176 CE2 TRP A 11 4.758 9.939 10.723 1.00 10.01 C ATOM 177 CE3 TRP A 11 4.148 7.624 10.455 1.00 63.33 C ATOM 178 CZ2 TRP A 11 5.454 9.948 9.525 1.00 21.44 C ATOM 179 CZ3 TRP A 11 4.817 7.640 9.246 1.00 31.34 C ATOM 180 CH2 TRP A 11 5.467 8.799 8.798 1.00 64.34 C ATOM 0 H TRP A 11 0.460 9.450 13.443 1.00 21.54 H new ATOM 0 HA TRP A 11 1.579 7.542 11.731 1.00 40.12 H new ATOM 0 HB2 TRP A 11 2.471 8.825 14.304 1.00 12.11 H new ATOM 0 HB3 TRP A 11 3.369 7.436 13.726 1.00 12.11 H new ATOM 0 HD1 TRP A 11 3.558 11.047 13.537 1.00 23.21 H new ATOM 0 HE1 TRP A 11 4.949 11.883 11.544 1.00 30.11 H new ATOM 0 HE3 TRP A 11 3.669 6.722 10.807 1.00 63.33 H new ATOM 0 HZ2 TRP A 11 5.967 10.834 9.182 1.00 21.44 H new ATOM 0 HZ3 TRP A 11 4.840 6.748 8.638 1.00 31.34 H new ATOM 0 HH2 TRP A 11 5.990 8.779 7.853 1.00 64.34 H new ATOM 191 N GLN A 12 0.509 6.345 14.645 1.00 5.41 N ATOM 192 CA GLN A 12 0.066 5.143 15.365 1.00 50.51 C ATOM 193 C GLN A 12 -0.912 4.340 14.498 1.00 62.44 C ATOM 194 O GLN A 12 -0.767 3.124 14.358 1.00 34.21 O ATOM 195 CB GLN A 12 -0.594 5.532 16.714 1.00 13.11 C ATOM 196 CG GLN A 12 -1.038 4.334 17.571 1.00 72.15 C ATOM 197 CD GLN A 12 -1.644 4.735 18.919 1.00 65.01 C ATOM 198 OE1 GLN A 12 -2.254 5.796 19.054 1.00 30.44 O ATOM 199 NE2 GLN A 12 -1.457 3.901 19.927 1.00 74.15 N ATOM 0 H GLN A 12 0.303 7.215 15.136 1.00 5.41 H new ATOM 0 HA GLN A 12 0.935 4.521 15.577 1.00 50.51 H new ATOM 0 HB2 GLN A 12 0.110 6.134 17.289 1.00 13.11 H new ATOM 0 HB3 GLN A 12 -1.461 6.161 16.513 1.00 13.11 H new ATOM 0 HG2 GLN A 12 -1.770 3.750 17.013 1.00 72.15 H new ATOM 0 HG3 GLN A 12 -0.180 3.686 17.747 1.00 72.15 H new ATOM 0 HE21 GLN A 12 -0.947 3.030 19.780 1.00 74.15 H new ATOM 0 HE22 GLN A 12 -1.823 4.128 20.852 1.00 74.15 H new ATOM 208 N ARG A 13 -1.870 5.055 13.882 1.00 31.22 N ATOM 209 CA ARG A 13 -2.894 4.446 13.018 1.00 14.55 C ATOM 210 C ARG A 13 -2.274 3.863 11.739 1.00 32.42 C ATOM 211 O ARG A 13 -2.753 2.861 11.247 1.00 64.31 O ATOM 212 CB ARG A 13 -4.004 5.465 12.654 1.00 12.21 C ATOM 213 CG ARG A 13 -4.737 6.088 13.862 1.00 70.43 C ATOM 214 CD ARG A 13 -5.330 5.052 14.834 1.00 14.24 C ATOM 215 NE ARG A 13 -5.917 5.692 16.027 1.00 44.11 N ATOM 216 CZ ARG A 13 -6.216 5.056 17.170 1.00 62.04 C ATOM 217 NH1 ARG A 13 -5.997 3.746 17.308 1.00 52.53 N ATOM 218 NH2 ARG A 13 -6.757 5.735 18.163 1.00 63.43 N ATOM 0 H ARG A 13 -1.955 6.068 13.969 1.00 31.22 H new ATOM 0 HA ARG A 13 -3.346 3.631 13.584 1.00 14.55 H new ATOM 0 HB2 ARG A 13 -3.561 6.267 12.063 1.00 12.21 H new ATOM 0 HB3 ARG A 13 -4.738 4.969 12.019 1.00 12.21 H new ATOM 0 HG2 ARG A 13 -4.041 6.726 14.407 1.00 70.43 H new ATOM 0 HG3 ARG A 13 -5.539 6.729 13.497 1.00 70.43 H new ATOM 0 HD2 ARG A 13 -6.095 4.469 14.321 1.00 14.24 H new ATOM 0 HD3 ARG A 13 -4.551 4.355 15.142 1.00 14.24 H new ATOM 0 HE ARG A 13 -6.110 6.692 15.979 1.00 44.11 H new ATOM 0 HH11 ARG A 13 -5.596 3.212 16.537 1.00 52.53 H new ATOM 0 HH12 ARG A 13 -6.231 3.279 18.184 1.00 52.53 H new ATOM 0 HH21 ARG A 13 -6.944 6.732 18.057 1.00 63.43 H new ATOM 0 HH22 ARG A 13 -6.989 5.263 19.037 1.00 63.43 H new ATOM 232 N ILE A 14 -1.199 4.498 11.229 1.00 43.30 N ATOM 233 CA ILE A 14 -0.477 4.037 10.022 1.00 71.24 C ATOM 234 C ILE A 14 0.160 2.660 10.289 1.00 15.54 C ATOM 235 O ILE A 14 0.055 1.756 9.462 1.00 55.14 O ATOM 236 CB ILE A 14 0.624 5.089 9.576 1.00 14.44 C ATOM 237 CG1 ILE A 14 -0.030 6.423 9.107 1.00 64.33 C ATOM 238 CG2 ILE A 14 1.542 4.542 8.462 1.00 21.23 C ATOM 239 CD1 ILE A 14 0.944 7.566 8.876 1.00 11.33 C ATOM 0 H ILE A 14 -0.806 5.344 11.641 1.00 43.30 H new ATOM 0 HA ILE A 14 -1.192 3.944 9.205 1.00 71.24 H new ATOM 0 HB ILE A 14 1.239 5.280 10.455 1.00 14.44 H new ATOM 0 HG12 ILE A 14 -0.576 6.238 8.182 1.00 64.33 H new ATOM 0 HG13 ILE A 14 -0.762 6.734 9.852 1.00 64.33 H new ATOM 0 HG21 ILE A 14 2.278 5.300 8.192 1.00 21.23 H new ATOM 0 HG22 ILE A 14 2.055 3.649 8.819 1.00 21.23 H new ATOM 0 HG23 ILE A 14 0.942 4.291 7.587 1.00 21.23 H new ATOM 0 HD11 ILE A 14 0.396 8.451 8.552 1.00 11.33 H new ATOM 0 HD12 ILE A 14 1.473 7.786 9.803 1.00 11.33 H new ATOM 0 HD13 ILE A 14 1.662 7.282 8.107 1.00 11.33 H new ATOM 251 N ALA A 15 0.787 2.518 11.470 1.00 31.44 N ATOM 252 CA ALA A 15 1.428 1.260 11.910 1.00 61.11 C ATOM 253 C ALA A 15 0.389 0.139 12.143 1.00 50.34 C ATOM 254 O ALA A 15 0.600 -1.025 11.747 1.00 3.55 O ATOM 255 CB ALA A 15 2.229 1.520 13.185 1.00 54.42 C ATOM 0 H ALA A 15 0.865 3.274 12.151 1.00 31.44 H new ATOM 0 HA ALA A 15 2.097 0.920 11.119 1.00 61.11 H new ATOM 0 HB1 ALA A 15 2.703 0.594 13.512 1.00 54.42 H new ATOM 0 HB2 ALA A 15 2.995 2.270 12.987 1.00 54.42 H new ATOM 0 HB3 ALA A 15 1.561 1.882 13.967 1.00 54.42 H new ATOM 261 N LEU A 16 -0.729 0.516 12.797 1.00 2.22 N ATOM 262 CA LEU A 16 -1.862 -0.392 13.074 1.00 4.50 C ATOM 263 C LEU A 16 -2.473 -0.916 11.758 1.00 33.54 C ATOM 264 O LEU A 16 -2.662 -2.127 11.597 1.00 64.24 O ATOM 265 CB LEU A 16 -2.934 0.342 13.932 1.00 25.23 C ATOM 266 CG LEU A 16 -2.501 0.707 15.394 1.00 53.01 C ATOM 267 CD1 LEU A 16 -3.524 1.644 16.072 1.00 12.54 C ATOM 268 CD2 LEU A 16 -2.257 -0.562 16.243 1.00 60.21 C ATOM 0 H LEU A 16 -0.872 1.462 13.149 1.00 2.22 H new ATOM 0 HA LEU A 16 -1.496 -1.250 13.637 1.00 4.50 H new ATOM 0 HB2 LEU A 16 -3.219 1.260 13.417 1.00 25.23 H new ATOM 0 HB3 LEU A 16 -3.824 -0.285 13.982 1.00 25.23 H new ATOM 0 HG LEU A 16 -1.557 1.247 15.327 1.00 53.01 H new ATOM 0 HD11 LEU A 16 -3.191 1.875 17.084 1.00 12.54 H new ATOM 0 HD12 LEU A 16 -3.609 2.567 15.498 1.00 12.54 H new ATOM 0 HD13 LEU A 16 -4.496 1.152 16.114 1.00 12.54 H new ATOM 0 HD21 LEU A 16 -1.958 -0.274 17.251 1.00 60.21 H new ATOM 0 HD22 LEU A 16 -3.174 -1.150 16.290 1.00 60.21 H new ATOM 0 HD23 LEU A 16 -1.467 -1.158 15.787 1.00 60.21 H new ATOM 280 N LEU A 17 -2.726 0.014 10.815 1.00 33.33 N ATOM 281 CA LEU A 17 -3.307 -0.296 9.495 1.00 53.13 C ATOM 282 C LEU A 17 -2.375 -1.203 8.698 1.00 54.04 C ATOM 283 O LEU A 17 -2.791 -2.281 8.308 1.00 63.24 O ATOM 284 CB LEU A 17 -3.628 1.002 8.689 1.00 32.42 C ATOM 285 CG LEU A 17 -4.832 1.845 9.218 1.00 3.11 C ATOM 286 CD1 LEU A 17 -4.908 3.217 8.517 1.00 54.31 C ATOM 287 CD2 LEU A 17 -6.161 1.066 9.082 1.00 52.12 C ATOM 0 H LEU A 17 -2.532 1.006 10.950 1.00 33.33 H new ATOM 0 HA LEU A 17 -4.247 -0.821 9.664 1.00 53.13 H new ATOM 0 HB2 LEU A 17 -2.740 1.634 8.684 1.00 32.42 H new ATOM 0 HB3 LEU A 17 -3.828 0.725 7.654 1.00 32.42 H new ATOM 0 HG LEU A 17 -4.666 2.030 10.279 1.00 3.11 H new ATOM 0 HD11 LEU A 17 -5.756 3.779 8.908 1.00 54.31 H new ATOM 0 HD12 LEU A 17 -3.989 3.772 8.703 1.00 54.31 H new ATOM 0 HD13 LEU A 17 -5.033 3.071 7.444 1.00 54.31 H new ATOM 0 HD21 LEU A 17 -6.981 1.677 9.458 1.00 52.12 H new ATOM 0 HD22 LEU A 17 -6.337 0.828 8.033 1.00 52.12 H new ATOM 0 HD23 LEU A 17 -6.102 0.143 9.659 1.00 52.12 H new ATOM 299 N SER A 18 -1.103 -0.776 8.528 1.00 74.44 N ATOM 300 CA SER A 18 -0.098 -1.481 7.694 1.00 52.31 C ATOM 301 C SER A 18 0.030 -2.959 8.091 1.00 1.23 C ATOM 302 O SER A 18 0.060 -3.840 7.229 1.00 10.32 O ATOM 303 CB SER A 18 1.276 -0.784 7.802 1.00 11.12 C ATOM 304 OG SER A 18 1.713 -0.696 9.145 1.00 53.12 O ATOM 0 H SER A 18 -0.741 0.071 8.967 1.00 74.44 H new ATOM 0 HA SER A 18 -0.441 -1.439 6.660 1.00 52.31 H new ATOM 0 HB2 SER A 18 2.011 -1.335 7.215 1.00 11.12 H new ATOM 0 HB3 SER A 18 1.212 0.216 7.374 1.00 11.12 H new ATOM 0 HG SER A 18 0.944 -0.785 9.746 1.00 53.12 H new ATOM 310 N GLN A 19 0.070 -3.203 9.415 1.00 43.03 N ATOM 311 CA GLN A 19 0.110 -4.559 9.991 1.00 14.35 C ATOM 312 C GLN A 19 -1.166 -5.352 9.634 1.00 12.11 C ATOM 313 O GLN A 19 -1.084 -6.468 9.107 1.00 74.53 O ATOM 314 CB GLN A 19 0.281 -4.458 11.531 1.00 62.14 C ATOM 315 CG GLN A 19 0.309 -5.809 12.279 1.00 73.52 C ATOM 316 CD GLN A 19 0.420 -5.676 13.805 1.00 62.23 C ATOM 317 OE1 GLN A 19 -0.186 -4.636 14.376 1.00 50.24 O flip ATOM 318 NE2 GLN A 19 1.022 -6.516 14.468 1.00 70.24 N flip ATOM 0 H GLN A 19 0.075 -2.462 10.116 1.00 43.03 H new ATOM 0 HA GLN A 19 0.959 -5.097 9.569 1.00 14.35 H new ATOM 0 HB2 GLN A 19 1.207 -3.924 11.744 1.00 62.14 H new ATOM 0 HB3 GLN A 19 -0.534 -3.855 11.932 1.00 62.14 H new ATOM 0 HG2 GLN A 19 -0.597 -6.365 12.038 1.00 73.52 H new ATOM 0 HG3 GLN A 19 1.151 -6.397 11.914 1.00 73.52 H new ATOM 0 HE21 GLN A 19 1.477 -7.302 14.004 1.00 70.24 H new ATOM 0 HE22 GLN A 19 1.067 -6.428 15.483 1.00 70.24 H new ATOM 327 N SER A 20 -2.334 -4.733 9.893 1.00 62.35 N ATOM 328 CA SER A 20 -3.655 -5.379 9.727 1.00 62.53 C ATOM 329 C SER A 20 -3.939 -5.760 8.263 1.00 60.12 C ATOM 330 O SER A 20 -4.388 -6.875 7.986 1.00 54.34 O ATOM 331 CB SER A 20 -4.774 -4.458 10.262 1.00 53.01 C ATOM 332 OG SER A 20 -4.589 -4.198 11.640 1.00 54.44 O ATOM 0 H SER A 20 -2.391 -3.770 10.224 1.00 62.35 H new ATOM 0 HA SER A 20 -3.636 -6.302 10.306 1.00 62.53 H new ATOM 0 HB2 SER A 20 -4.777 -3.520 9.707 1.00 53.01 H new ATOM 0 HB3 SER A 20 -5.745 -4.926 10.102 1.00 53.01 H new ATOM 0 HG SER A 20 -3.939 -3.473 11.752 1.00 54.44 H new ATOM 338 N LEU A 21 -3.652 -4.833 7.333 1.00 11.40 N ATOM 339 CA LEU A 21 -3.933 -5.030 5.904 1.00 43.14 C ATOM 340 C LEU A 21 -2.858 -5.901 5.239 1.00 53.32 C ATOM 341 O LEU A 21 -3.115 -6.494 4.199 1.00 5.41 O ATOM 342 CB LEU A 21 -4.176 -3.663 5.185 1.00 20.40 C ATOM 343 CG LEU A 21 -3.044 -2.576 5.237 1.00 72.13 C ATOM 344 CD1 LEU A 21 -1.882 -2.869 4.274 1.00 52.05 C ATOM 345 CD2 LEU A 21 -3.615 -1.161 4.999 1.00 1.43 C ATOM 0 H LEU A 21 -3.222 -3.934 7.550 1.00 11.40 H new ATOM 0 HA LEU A 21 -4.864 -5.588 5.804 1.00 43.14 H new ATOM 0 HB2 LEU A 21 -4.386 -3.873 4.136 1.00 20.40 H new ATOM 0 HB3 LEU A 21 -5.078 -3.222 5.608 1.00 20.40 H new ATOM 0 HG LEU A 21 -2.630 -2.617 6.244 1.00 72.13 H new ATOM 0 HD11 LEU A 21 -1.133 -2.082 4.357 1.00 52.05 H new ATOM 0 HD12 LEU A 21 -1.431 -3.828 4.529 1.00 52.05 H new ATOM 0 HD13 LEU A 21 -2.257 -2.906 3.251 1.00 52.05 H new ATOM 0 HD21 LEU A 21 -2.807 -0.431 5.041 1.00 1.43 H new ATOM 0 HD22 LEU A 21 -4.090 -1.120 4.019 1.00 1.43 H new ATOM 0 HD23 LEU A 21 -4.352 -0.932 5.769 1.00 1.43 H new ATOM 357 N LEU A 22 -1.654 -5.975 5.852 1.00 72.24 N ATOM 358 CA LEU A 22 -0.618 -6.949 5.453 1.00 14.31 C ATOM 359 C LEU A 22 -1.141 -8.377 5.677 1.00 35.43 C ATOM 360 O LEU A 22 -0.975 -9.263 4.820 1.00 61.03 O ATOM 361 CB LEU A 22 0.691 -6.740 6.255 1.00 63.44 C ATOM 362 CG LEU A 22 1.834 -7.762 5.969 1.00 23.34 C ATOM 363 CD1 LEU A 22 2.323 -7.672 4.505 1.00 23.51 C ATOM 364 CD2 LEU A 22 2.987 -7.598 6.979 1.00 63.14 C ATOM 0 H LEU A 22 -1.378 -5.370 6.625 1.00 72.24 H new ATOM 0 HA LEU A 22 -0.395 -6.797 4.397 1.00 14.31 H new ATOM 0 HB2 LEU A 22 1.066 -5.738 6.048 1.00 63.44 H new ATOM 0 HB3 LEU A 22 0.453 -6.778 7.318 1.00 63.44 H new ATOM 0 HG LEU A 22 1.429 -8.765 6.102 1.00 23.34 H new ATOM 0 HD11 LEU A 22 3.119 -8.398 4.342 1.00 23.51 H new ATOM 0 HD12 LEU A 22 1.494 -7.885 3.831 1.00 23.51 H new ATOM 0 HD13 LEU A 22 2.701 -6.669 4.309 1.00 23.51 H new ATOM 0 HD21 LEU A 22 3.771 -8.322 6.757 1.00 63.14 H new ATOM 0 HD22 LEU A 22 3.394 -6.589 6.906 1.00 63.14 H new ATOM 0 HD23 LEU A 22 2.613 -7.766 7.989 1.00 63.14 H new ATOM 376 N GLU A 23 -1.785 -8.566 6.847 1.00 42.02 N ATOM 377 CA GLU A 23 -2.469 -9.817 7.198 1.00 25.34 C ATOM 378 C GLU A 23 -3.578 -10.120 6.175 1.00 0.21 C ATOM 379 O GLU A 23 -3.656 -11.234 5.673 1.00 12.23 O ATOM 380 CB GLU A 23 -3.035 -9.735 8.638 1.00 42.54 C ATOM 381 CG GLU A 23 -1.951 -9.578 9.725 1.00 21.03 C ATOM 382 CD GLU A 23 -2.529 -9.372 11.133 1.00 30.43 C ATOM 383 OE1 GLU A 23 -3.144 -10.314 11.672 1.00 4.23 O ATOM 384 OE2 GLU A 23 -2.367 -8.273 11.707 1.00 72.51 O ATOM 0 H GLU A 23 -1.843 -7.851 7.573 1.00 42.02 H new ATOM 0 HA GLU A 23 -1.751 -10.637 7.168 1.00 25.34 H new ATOM 0 HB2 GLU A 23 -3.724 -8.892 8.700 1.00 42.54 H new ATOM 0 HB3 GLU A 23 -3.614 -10.636 8.843 1.00 42.54 H new ATOM 0 HG2 GLU A 23 -1.316 -10.464 9.726 1.00 21.03 H new ATOM 0 HG3 GLU A 23 -1.314 -8.730 9.473 1.00 21.03 H new ATOM 391 N LEU A 24 -4.373 -9.092 5.825 1.00 35.33 N ATOM 392 CA LEU A 24 -5.480 -9.210 4.842 1.00 31.33 C ATOM 393 C LEU A 24 -4.961 -9.568 3.434 1.00 40.41 C ATOM 394 O LEU A 24 -5.620 -10.301 2.691 1.00 54.20 O ATOM 395 CB LEU A 24 -6.300 -7.891 4.803 1.00 42.52 C ATOM 396 CG LEU A 24 -6.965 -7.479 6.154 1.00 5.54 C ATOM 397 CD1 LEU A 24 -7.573 -6.059 6.078 1.00 2.35 C ATOM 398 CD2 LEU A 24 -8.007 -8.525 6.604 1.00 55.30 C ATOM 0 H LEU A 24 -4.271 -8.154 6.212 1.00 35.33 H new ATOM 0 HA LEU A 24 -6.128 -10.025 5.165 1.00 31.33 H new ATOM 0 HB2 LEU A 24 -5.643 -7.084 4.479 1.00 42.52 H new ATOM 0 HB3 LEU A 24 -7.080 -7.990 4.048 1.00 42.52 H new ATOM 0 HG LEU A 24 -6.183 -7.450 6.913 1.00 5.54 H new ATOM 0 HD11 LEU A 24 -8.027 -5.806 7.036 1.00 2.35 H new ATOM 0 HD12 LEU A 24 -6.788 -5.339 5.847 1.00 2.35 H new ATOM 0 HD13 LEU A 24 -8.333 -6.030 5.297 1.00 2.35 H new ATOM 0 HD21 LEU A 24 -8.453 -8.211 7.548 1.00 55.30 H new ATOM 0 HD22 LEU A 24 -8.785 -8.613 5.846 1.00 55.30 H new ATOM 0 HD23 LEU A 24 -7.519 -9.491 6.737 1.00 55.30 H new ATOM 410 N ALA A 25 -3.762 -9.062 3.099 1.00 0.12 N ATOM 411 CA ALA A 25 -3.103 -9.317 1.803 1.00 30.52 C ATOM 412 C ALA A 25 -2.677 -10.792 1.682 1.00 2.31 C ATOM 413 O ALA A 25 -2.977 -11.453 0.683 1.00 10.54 O ATOM 414 CB ALA A 25 -1.894 -8.383 1.624 1.00 51.15 C ATOM 0 H ALA A 25 -3.219 -8.462 3.720 1.00 0.12 H new ATOM 0 HA ALA A 25 -3.820 -9.110 1.008 1.00 30.52 H new ATOM 0 HB1 ALA A 25 -1.419 -8.583 0.664 1.00 51.15 H new ATOM 0 HB2 ALA A 25 -2.228 -7.346 1.654 1.00 51.15 H new ATOM 0 HB3 ALA A 25 -1.178 -8.557 2.427 1.00 51.15 H new ATOM 420 N GLN A 26 -2.003 -11.310 2.728 1.00 10.32 N ATOM 421 CA GLN A 26 -1.526 -12.715 2.754 1.00 54.42 C ATOM 422 C GLN A 26 -2.690 -13.694 3.035 1.00 33.04 C ATOM 423 O GLN A 26 -2.557 -14.903 2.833 1.00 51.33 O ATOM 424 CB GLN A 26 -0.382 -12.878 3.793 1.00 20.31 C ATOM 425 CG GLN A 26 -0.805 -12.717 5.266 1.00 10.53 C ATOM 426 CD GLN A 26 0.360 -12.697 6.265 1.00 53.34 C ATOM 427 OE1 GLN A 26 1.481 -12.096 5.890 1.00 2.52 O flip ATOM 428 NE2 GLN A 26 0.231 -13.178 7.379 1.00 1.33 N flip ATOM 0 H GLN A 26 -1.775 -10.779 3.569 1.00 10.32 H new ATOM 0 HA GLN A 26 -1.127 -12.962 1.770 1.00 54.42 H new ATOM 0 HB2 GLN A 26 0.065 -13.864 3.666 1.00 20.31 H new ATOM 0 HB3 GLN A 26 0.394 -12.145 3.573 1.00 20.31 H new ATOM 0 HG2 GLN A 26 -1.371 -11.791 5.369 1.00 10.53 H new ATOM 0 HG3 GLN A 26 -1.478 -13.533 5.529 1.00 10.53 H new ATOM 0 HE21 GLN A 26 -0.643 -13.634 7.639 1.00 1.33 H new ATOM 0 HE22 GLN A 26 0.997 -13.124 8.050 1.00 1.33 H new ATOM 437 N ARG A 27 -3.818 -13.150 3.521 1.00 4.41 N ATOM 438 CA ARG A 27 -5.076 -13.900 3.708 1.00 51.32 C ATOM 439 C ARG A 27 -5.845 -14.027 2.376 1.00 5.44 C ATOM 440 O ARG A 27 -6.639 -14.952 2.211 1.00 70.41 O ATOM 441 CB ARG A 27 -5.971 -13.217 4.788 1.00 42.42 C ATOM 442 CG ARG A 27 -5.641 -13.588 6.254 1.00 3.30 C ATOM 443 CD ARG A 27 -5.944 -15.063 6.568 1.00 31.20 C ATOM 444 NE ARG A 27 -7.349 -15.392 6.267 1.00 41.21 N ATOM 445 CZ ARG A 27 -7.883 -16.625 6.253 1.00 45.10 C ATOM 446 NH1 ARG A 27 -7.144 -17.702 6.523 1.00 44.33 N ATOM 447 NH2 ARG A 27 -9.157 -16.770 5.923 1.00 2.15 N ATOM 0 H ARG A 27 -3.885 -12.171 3.798 1.00 4.41 H new ATOM 0 HA ARG A 27 -4.821 -14.902 4.053 1.00 51.32 H new ATOM 0 HB2 ARG A 27 -5.885 -12.136 4.676 1.00 42.42 H new ATOM 0 HB3 ARG A 27 -7.011 -13.476 4.591 1.00 42.42 H new ATOM 0 HG2 ARG A 27 -4.587 -13.387 6.448 1.00 3.30 H new ATOM 0 HG3 ARG A 27 -6.216 -12.951 6.926 1.00 3.30 H new ATOM 0 HD2 ARG A 27 -5.284 -15.705 5.985 1.00 31.20 H new ATOM 0 HD3 ARG A 27 -5.737 -15.264 7.619 1.00 31.20 H new ATOM 0 HE ARG A 27 -7.972 -14.614 6.050 1.00 41.21 H new ATOM 0 HH11 ARG A 27 -6.154 -17.598 6.745 1.00 44.33 H new ATOM 0 HH12 ARG A 27 -7.569 -18.629 6.507 1.00 44.33 H new ATOM 0 HH21 ARG A 27 -9.718 -15.952 5.684 1.00 2.15 H new ATOM 0 HH22 ARG A 27 -9.577 -17.699 5.908 1.00 2.15 H new ATOM 461 N GLY A 28 -5.593 -13.086 1.444 1.00 21.43 N ATOM 462 CA GLY A 28 -6.304 -13.031 0.161 1.00 43.12 C ATOM 463 C GLY A 28 -7.586 -12.215 0.233 1.00 23.44 C ATOM 464 O GLY A 28 -8.365 -12.192 -0.728 1.00 30.43 O ATOM 0 H GLY A 28 -4.896 -12.351 1.562 1.00 21.43 H new ATOM 0 HA2 GLY A 28 -5.647 -12.601 -0.595 1.00 43.12 H new ATOM 0 HA3 GLY A 28 -6.541 -14.045 -0.162 1.00 43.12 H new ATOM 468 N GLU A 29 -7.808 -11.550 1.383 1.00 32.22 N ATOM 469 CA GLU A 29 -8.925 -10.618 1.589 1.00 43.14 C ATOM 470 C GLU A 29 -8.601 -9.271 0.924 1.00 4.52 C ATOM 471 O GLU A 29 -8.250 -8.293 1.601 1.00 34.13 O ATOM 472 CB GLU A 29 -9.227 -10.452 3.120 1.00 31.11 C ATOM 473 CG GLU A 29 -10.175 -11.515 3.729 1.00 73.11 C ATOM 474 CD GLU A 29 -9.636 -12.964 3.739 1.00 10.53 C ATOM 475 OE1 GLU A 29 -9.675 -13.636 2.689 1.00 44.43 O ATOM 476 OE2 GLU A 29 -9.229 -13.455 4.813 1.00 1.32 O ATOM 0 H GLU A 29 -7.208 -11.648 2.202 1.00 32.22 H new ATOM 0 HA GLU A 29 -9.825 -11.020 1.124 1.00 43.14 H new ATOM 0 HB2 GLU A 29 -8.283 -10.477 3.664 1.00 31.11 H new ATOM 0 HB3 GLU A 29 -9.662 -9.466 3.282 1.00 31.11 H new ATOM 0 HG2 GLU A 29 -10.406 -11.225 4.754 1.00 73.11 H new ATOM 0 HG3 GLU A 29 -11.113 -11.499 3.174 1.00 73.11 H new ATOM 483 N TRP A 30 -8.699 -9.254 -0.418 1.00 4.34 N ATOM 484 CA TRP A 30 -8.387 -8.075 -1.241 1.00 14.53 C ATOM 485 C TRP A 30 -9.421 -6.969 -1.035 1.00 44.40 C ATOM 486 O TRP A 30 -9.083 -5.797 -1.081 1.00 22.21 O ATOM 487 CB TRP A 30 -8.300 -8.456 -2.740 1.00 33.51 C ATOM 488 CG TRP A 30 -7.371 -9.625 -3.029 1.00 45.12 C ATOM 489 CD1 TRP A 30 -7.692 -10.803 -3.649 1.00 71.21 C ATOM 490 CD2 TRP A 30 -5.979 -9.734 -2.689 1.00 5.20 C ATOM 491 NE1 TRP A 30 -6.598 -11.616 -3.721 1.00 21.54 N ATOM 492 CE2 TRP A 30 -5.536 -10.985 -3.140 1.00 71.33 C ATOM 493 CE3 TRP A 30 -5.066 -8.898 -2.051 1.00 60.45 C ATOM 494 CZ2 TRP A 30 -4.227 -11.412 -2.980 1.00 75.52 C ATOM 495 CZ3 TRP A 30 -3.767 -9.324 -1.888 1.00 2.15 C ATOM 496 CH2 TRP A 30 -3.356 -10.573 -2.349 1.00 4.51 C ATOM 0 H TRP A 30 -8.998 -10.063 -0.963 1.00 4.34 H new ATOM 0 HA TRP A 30 -7.415 -7.698 -0.922 1.00 14.53 H new ATOM 0 HB2 TRP A 30 -9.299 -8.702 -3.100 1.00 33.51 H new ATOM 0 HB3 TRP A 30 -7.962 -7.588 -3.306 1.00 33.51 H new ATOM 0 HD1 TRP A 30 -8.672 -11.053 -4.027 1.00 71.21 H new ATOM 0 HE1 TRP A 30 -6.577 -12.545 -4.141 1.00 21.54 H new ATOM 0 HE3 TRP A 30 -5.373 -7.928 -1.689 1.00 60.45 H new ATOM 0 HZ2 TRP A 30 -3.907 -12.378 -3.343 1.00 75.52 H new ATOM 0 HZ3 TRP A 30 -3.055 -8.679 -1.395 1.00 2.15 H new ATOM 0 HH2 TRP A 30 -2.331 -10.882 -2.204 1.00 4.51 H new ATOM 507 N ASP A 31 -10.673 -7.375 -0.787 1.00 23.44 N ATOM 508 CA ASP A 31 -11.804 -6.458 -0.503 1.00 74.54 C ATOM 509 C ASP A 31 -11.468 -5.562 0.700 1.00 71.14 C ATOM 510 O ASP A 31 -11.558 -4.325 0.634 1.00 5.34 O ATOM 511 CB ASP A 31 -13.088 -7.278 -0.192 1.00 3.45 C ATOM 512 CG ASP A 31 -13.411 -8.312 -1.278 1.00 34.33 C ATOM 513 OD1 ASP A 31 -12.822 -9.417 -1.247 1.00 34.21 O ATOM 514 OD2 ASP A 31 -14.224 -8.022 -2.180 1.00 55.04 O ATOM 0 H ASP A 31 -10.941 -8.359 -0.776 1.00 23.44 H new ATOM 0 HA ASP A 31 -11.976 -5.834 -1.380 1.00 74.54 H new ATOM 0 HB2 ASP A 31 -12.965 -7.788 0.764 1.00 3.45 H new ATOM 0 HB3 ASP A 31 -13.932 -6.596 -0.084 1.00 3.45 H new ATOM 519 N LEU A 32 -11.025 -6.231 1.776 1.00 74.35 N ATOM 520 CA LEU A 32 -10.684 -5.593 3.052 1.00 21.42 C ATOM 521 C LEU A 32 -9.354 -4.826 2.938 1.00 14.30 C ATOM 522 O LEU A 32 -9.204 -3.769 3.541 1.00 23.01 O ATOM 523 CB LEU A 32 -10.626 -6.666 4.172 1.00 31.52 C ATOM 524 CG LEU A 32 -11.912 -7.539 4.364 1.00 71.22 C ATOM 525 CD1 LEU A 32 -11.718 -8.554 5.509 1.00 74.04 C ATOM 526 CD2 LEU A 32 -13.172 -6.671 4.596 1.00 51.11 C ATOM 0 H LEU A 32 -10.893 -7.242 1.782 1.00 74.35 H new ATOM 0 HA LEU A 32 -11.456 -4.868 3.309 1.00 21.42 H new ATOM 0 HB2 LEU A 32 -9.788 -7.332 3.965 1.00 31.52 H new ATOM 0 HB3 LEU A 32 -10.409 -6.165 5.115 1.00 31.52 H new ATOM 0 HG LEU A 32 -12.072 -8.092 3.439 1.00 71.22 H new ATOM 0 HD11 LEU A 32 -12.624 -9.150 5.625 1.00 74.04 H new ATOM 0 HD12 LEU A 32 -10.880 -9.210 5.275 1.00 74.04 H new ATOM 0 HD13 LEU A 32 -11.514 -8.021 6.437 1.00 74.04 H new ATOM 0 HD21 LEU A 32 -14.040 -7.317 4.724 1.00 51.11 H new ATOM 0 HD22 LEU A 32 -13.036 -6.064 5.491 1.00 51.11 H new ATOM 0 HD23 LEU A 32 -13.328 -6.019 3.736 1.00 51.11 H new ATOM 538 N LEU A 33 -8.407 -5.372 2.140 1.00 22.21 N ATOM 539 CA LEU A 33 -7.099 -4.728 1.864 1.00 41.32 C ATOM 540 C LEU A 33 -7.304 -3.342 1.229 1.00 45.10 C ATOM 541 O LEU A 33 -6.732 -2.344 1.680 1.00 64.44 O ATOM 542 CB LEU A 33 -6.228 -5.609 0.916 1.00 34.23 C ATOM 543 CG LEU A 33 -4.853 -4.992 0.480 1.00 64.25 C ATOM 544 CD1 LEU A 33 -3.904 -4.821 1.675 1.00 20.42 C ATOM 545 CD2 LEU A 33 -4.189 -5.815 -0.638 1.00 73.23 C ATOM 0 H LEU A 33 -8.527 -6.269 1.670 1.00 22.21 H new ATOM 0 HA LEU A 33 -6.579 -4.617 2.815 1.00 41.32 H new ATOM 0 HB2 LEU A 33 -6.037 -6.561 1.410 1.00 34.23 H new ATOM 0 HB3 LEU A 33 -6.808 -5.826 0.019 1.00 34.23 H new ATOM 0 HG LEU A 33 -5.063 -4.000 0.080 1.00 64.25 H new ATOM 0 HD11 LEU A 33 -2.962 -4.391 1.333 1.00 20.42 H new ATOM 0 HD12 LEU A 33 -4.360 -4.158 2.410 1.00 20.42 H new ATOM 0 HD13 LEU A 33 -3.715 -5.793 2.131 1.00 20.42 H new ATOM 0 HD21 LEU A 33 -3.239 -5.356 -0.913 1.00 73.23 H new ATOM 0 HD22 LEU A 33 -4.012 -6.831 -0.286 1.00 73.23 H new ATOM 0 HD23 LEU A 33 -4.844 -5.841 -1.509 1.00 73.23 H new ATOM 557 N LEU A 34 -8.160 -3.307 0.199 1.00 41.22 N ATOM 558 CA LEU A 34 -8.451 -2.095 -0.586 1.00 44.51 C ATOM 559 C LEU A 34 -9.373 -1.139 0.189 1.00 10.40 C ATOM 560 O LEU A 34 -9.377 0.069 -0.066 1.00 63.13 O ATOM 561 CB LEU A 34 -9.070 -2.494 -1.944 1.00 64.34 C ATOM 562 CG LEU A 34 -8.177 -3.419 -2.830 1.00 24.11 C ATOM 563 CD1 LEU A 34 -8.960 -3.964 -4.039 1.00 54.51 C ATOM 564 CD2 LEU A 34 -6.875 -2.706 -3.259 1.00 41.54 C ATOM 0 H LEU A 34 -8.677 -4.127 -0.118 1.00 41.22 H new ATOM 0 HA LEU A 34 -7.518 -1.561 -0.769 1.00 44.51 H new ATOM 0 HB2 LEU A 34 -10.019 -2.998 -1.760 1.00 64.34 H new ATOM 0 HB3 LEU A 34 -9.295 -1.587 -2.504 1.00 64.34 H new ATOM 0 HG LEU A 34 -7.886 -4.276 -2.223 1.00 24.11 H new ATOM 0 HD11 LEU A 34 -8.310 -4.604 -4.635 1.00 54.51 H new ATOM 0 HD12 LEU A 34 -9.815 -4.542 -3.688 1.00 54.51 H new ATOM 0 HD13 LEU A 34 -9.310 -3.132 -4.651 1.00 54.51 H new ATOM 0 HD21 LEU A 34 -6.278 -3.379 -3.874 1.00 41.54 H new ATOM 0 HD22 LEU A 34 -7.121 -1.812 -3.832 1.00 41.54 H new ATOM 0 HD23 LEU A 34 -6.306 -2.423 -2.373 1.00 41.54 H new ATOM 576 N GLN A 35 -10.145 -1.688 1.143 1.00 20.44 N ATOM 577 CA GLN A 35 -10.971 -0.878 2.056 1.00 11.02 C ATOM 578 C GLN A 35 -10.064 -0.094 3.032 1.00 71.35 C ATOM 579 O GLN A 35 -10.332 1.074 3.350 1.00 70.42 O ATOM 580 CB GLN A 35 -11.962 -1.790 2.829 1.00 71.15 C ATOM 581 CG GLN A 35 -12.999 -1.042 3.699 1.00 34.33 C ATOM 582 CD GLN A 35 -13.962 -0.138 2.911 1.00 20.12 C ATOM 583 OE1 GLN A 35 -14.396 0.889 3.415 1.00 32.13 O ATOM 584 NE2 GLN A 35 -14.326 -0.524 1.690 1.00 42.22 N ATOM 0 H GLN A 35 -10.214 -2.693 1.302 1.00 20.44 H new ATOM 0 HA GLN A 35 -11.551 -0.161 1.475 1.00 11.02 H new ATOM 0 HB2 GLN A 35 -12.495 -2.412 2.110 1.00 71.15 H new ATOM 0 HB3 GLN A 35 -11.390 -2.461 3.469 1.00 71.15 H new ATOM 0 HG2 GLN A 35 -13.583 -1.775 4.256 1.00 34.33 H new ATOM 0 HG3 GLN A 35 -12.468 -0.434 4.432 1.00 34.33 H new ATOM 0 HE21 GLN A 35 -13.949 -1.385 1.294 1.00 42.22 H new ATOM 0 HE22 GLN A 35 -14.982 0.041 1.151 1.00 42.22 H new ATOM 593 N GLN A 36 -8.975 -0.753 3.483 1.00 53.13 N ATOM 594 CA GLN A 36 -7.981 -0.140 4.387 1.00 50.24 C ATOM 595 C GLN A 36 -6.912 0.653 3.605 1.00 44.25 C ATOM 596 O GLN A 36 -6.191 1.435 4.213 1.00 63.43 O ATOM 597 CB GLN A 36 -7.300 -1.220 5.273 1.00 13.32 C ATOM 598 CG GLN A 36 -8.265 -2.108 6.093 1.00 22.21 C ATOM 599 CD GLN A 36 -9.225 -1.335 7.003 1.00 35.32 C ATOM 600 OE1 GLN A 36 -8.909 -0.258 7.510 1.00 33.53 O ATOM 601 NE2 GLN A 36 -10.406 -1.888 7.229 1.00 11.51 N ATOM 0 H GLN A 36 -8.762 -1.718 3.232 1.00 53.13 H new ATOM 0 HA GLN A 36 -8.517 0.559 5.030 1.00 50.24 H new ATOM 0 HB2 GLN A 36 -6.696 -1.863 4.633 1.00 13.32 H new ATOM 0 HB3 GLN A 36 -6.616 -0.723 5.961 1.00 13.32 H new ATOM 0 HG2 GLN A 36 -8.850 -2.718 5.405 1.00 22.21 H new ATOM 0 HG3 GLN A 36 -7.677 -2.792 6.705 1.00 22.21 H new ATOM 0 HE21 GLN A 36 -10.642 -2.781 6.796 1.00 11.51 H new ATOM 0 HE22 GLN A 36 -11.080 -1.421 7.836 1.00 11.51 H new ATOM 610 N GLU A 37 -6.833 0.424 2.270 1.00 12.24 N ATOM 611 CA GLU A 37 -5.898 1.122 1.353 1.00 42.30 C ATOM 612 C GLU A 37 -6.033 2.643 1.495 1.00 44.35 C ATOM 613 O GLU A 37 -5.072 3.340 1.829 1.00 35.45 O ATOM 614 CB GLU A 37 -6.215 0.748 -0.120 1.00 63.01 C ATOM 615 CG GLU A 37 -5.372 1.496 -1.173 1.00 42.11 C ATOM 616 CD GLU A 37 -5.921 1.345 -2.596 1.00 70.20 C ATOM 617 OE1 GLU A 37 -5.606 0.365 -3.286 1.00 42.10 O ATOM 618 OE2 GLU A 37 -6.693 2.228 -3.023 1.00 10.03 O ATOM 0 H GLU A 37 -7.424 -0.258 1.795 1.00 12.24 H new ATOM 0 HA GLU A 37 -4.886 0.814 1.615 1.00 42.30 H new ATOM 0 HB2 GLU A 37 -6.064 -0.324 -0.249 1.00 63.01 H new ATOM 0 HB3 GLU A 37 -7.270 0.946 -0.312 1.00 63.01 H new ATOM 0 HG2 GLU A 37 -5.333 2.554 -0.915 1.00 42.11 H new ATOM 0 HG3 GLU A 37 -4.348 1.123 -1.143 1.00 42.11 H new ATOM 625 N VAL A 38 -7.259 3.124 1.239 1.00 21.30 N ATOM 626 CA VAL A 38 -7.584 4.556 1.221 1.00 51.23 C ATOM 627 C VAL A 38 -7.294 5.214 2.581 1.00 12.13 C ATOM 628 O VAL A 38 -6.741 6.315 2.634 1.00 13.01 O ATOM 629 CB VAL A 38 -9.079 4.785 0.787 1.00 52.10 C ATOM 630 CG1 VAL A 38 -9.302 4.321 -0.670 1.00 44.33 C ATOM 631 CG2 VAL A 38 -10.072 4.077 1.744 1.00 12.33 C ATOM 0 H VAL A 38 -8.059 2.524 1.037 1.00 21.30 H new ATOM 0 HA VAL A 38 -6.941 5.034 0.482 1.00 51.23 H new ATOM 0 HB VAL A 38 -9.275 5.856 0.846 1.00 52.10 H new ATOM 0 HG11 VAL A 38 -10.342 4.488 -0.950 1.00 44.33 H new ATOM 0 HG12 VAL A 38 -8.651 4.888 -1.336 1.00 44.33 H new ATOM 0 HG13 VAL A 38 -9.070 3.259 -0.753 1.00 44.33 H new ATOM 0 HG21 VAL A 38 -11.093 4.260 1.409 1.00 12.33 H new ATOM 0 HG22 VAL A 38 -9.876 3.005 1.743 1.00 12.33 H new ATOM 0 HG23 VAL A 38 -9.946 4.468 2.754 1.00 12.33 H new ATOM 641 N SER A 39 -7.607 4.481 3.664 1.00 51.35 N ATOM 642 CA SER A 39 -7.376 4.916 5.048 1.00 12.35 C ATOM 643 C SER A 39 -5.869 5.097 5.312 1.00 2.44 C ATOM 644 O SER A 39 -5.425 6.126 5.821 1.00 2.54 O ATOM 645 CB SER A 39 -7.956 3.845 6.000 1.00 44.34 C ATOM 646 OG SER A 39 -9.291 3.505 5.644 1.00 63.11 O ATOM 0 H SER A 39 -8.034 3.557 3.599 1.00 51.35 H new ATOM 0 HA SER A 39 -7.866 5.874 5.218 1.00 12.35 H new ATOM 0 HB2 SER A 39 -7.331 2.952 5.971 1.00 44.34 H new ATOM 0 HB3 SER A 39 -7.934 4.216 7.025 1.00 44.34 H new ATOM 0 HG SER A 39 -9.631 2.825 6.262 1.00 63.11 H new ATOM 652 N TYR A 40 -5.112 4.080 4.893 1.00 20.32 N ATOM 653 CA TYR A 40 -3.675 3.937 5.149 1.00 55.51 C ATOM 654 C TYR A 40 -2.857 4.999 4.406 1.00 2.43 C ATOM 655 O TYR A 40 -2.120 5.777 5.030 1.00 25.43 O ATOM 656 CB TYR A 40 -3.269 2.506 4.728 1.00 72.45 C ATOM 657 CG TYR A 40 -1.778 2.187 4.781 1.00 62.55 C ATOM 658 CD1 TYR A 40 -1.041 2.364 5.951 1.00 15.52 C ATOM 659 CD2 TYR A 40 -1.122 1.677 3.661 1.00 3.35 C ATOM 660 CE1 TYR A 40 0.292 2.044 5.992 1.00 73.42 C ATOM 661 CE2 TYR A 40 0.210 1.363 3.702 1.00 35.12 C ATOM 662 CZ TYR A 40 0.911 1.545 4.870 1.00 2.34 C ATOM 663 OH TYR A 40 2.237 1.209 4.918 1.00 2.13 O ATOM 0 H TYR A 40 -5.494 3.307 4.348 1.00 20.32 H new ATOM 0 HA TYR A 40 -3.467 4.091 6.208 1.00 55.51 H new ATOM 0 HB2 TYR A 40 -3.794 1.798 5.369 1.00 72.45 H new ATOM 0 HB3 TYR A 40 -3.620 2.335 3.710 1.00 72.45 H new ATOM 0 HD1 TYR A 40 -1.524 2.757 6.833 1.00 15.52 H new ATOM 0 HD2 TYR A 40 -1.674 1.527 2.745 1.00 3.35 H new ATOM 0 HE1 TYR A 40 0.854 2.184 6.903 1.00 73.42 H new ATOM 0 HE2 TYR A 40 0.706 0.976 2.824 1.00 35.12 H new ATOM 0 HH TYR A 40 2.633 1.559 5.743 1.00 2.13 H new ATOM 673 N LEU A 41 -3.013 5.021 3.071 1.00 13.05 N ATOM 674 CA LEU A 41 -2.285 5.937 2.186 1.00 73.12 C ATOM 675 C LEU A 41 -2.612 7.402 2.526 1.00 41.32 C ATOM 676 O LEU A 41 -1.709 8.236 2.553 1.00 51.25 O ATOM 677 CB LEU A 41 -2.599 5.621 0.701 1.00 12.23 C ATOM 678 CG LEU A 41 -2.157 4.200 0.200 1.00 13.54 C ATOM 679 CD1 LEU A 41 -2.586 3.966 -1.270 1.00 2.34 C ATOM 680 CD2 LEU A 41 -0.631 3.979 0.382 1.00 23.44 C ATOM 0 H LEU A 41 -3.652 4.399 2.576 1.00 13.05 H new ATOM 0 HA LEU A 41 -1.216 5.792 2.343 1.00 73.12 H new ATOM 0 HB2 LEU A 41 -3.673 5.723 0.546 1.00 12.23 H new ATOM 0 HB3 LEU A 41 -2.114 6.373 0.078 1.00 12.23 H new ATOM 0 HG LEU A 41 -2.669 3.462 0.818 1.00 13.54 H new ATOM 0 HD11 LEU A 41 -2.266 2.974 -1.589 1.00 2.34 H new ATOM 0 HD12 LEU A 41 -3.671 4.040 -1.349 1.00 2.34 H new ATOM 0 HD13 LEU A 41 -2.123 4.719 -1.908 1.00 2.34 H new ATOM 0 HD21 LEU A 41 -0.362 2.985 0.024 1.00 23.44 H new ATOM 0 HD22 LEU A 41 -0.084 4.730 -0.188 1.00 23.44 H new ATOM 0 HD23 LEU A 41 -0.374 4.067 1.438 1.00 23.44 H new ATOM 692 N GLN A 42 -3.901 7.693 2.834 1.00 10.55 N ATOM 693 CA GLN A 42 -4.329 9.056 3.214 1.00 32.51 C ATOM 694 C GLN A 42 -3.657 9.508 4.522 1.00 11.32 C ATOM 695 O GLN A 42 -3.201 10.648 4.611 1.00 20.42 O ATOM 696 CB GLN A 42 -5.870 9.152 3.351 1.00 14.24 C ATOM 697 CG GLN A 42 -6.399 10.582 3.636 1.00 61.33 C ATOM 698 CD GLN A 42 -7.929 10.702 3.701 1.00 41.43 C ATOM 699 OE1 GLN A 42 -8.645 9.881 2.945 1.00 32.22 O flip ATOM 700 NE2 GLN A 42 -8.461 11.548 4.414 1.00 41.03 N flip ATOM 0 H GLN A 42 -4.654 7.005 2.826 1.00 10.55 H new ATOM 0 HA GLN A 42 -4.014 9.723 2.411 1.00 32.51 H new ATOM 0 HB2 GLN A 42 -6.328 8.784 2.433 1.00 14.24 H new ATOM 0 HB3 GLN A 42 -6.193 8.491 4.155 1.00 14.24 H new ATOM 0 HG2 GLN A 42 -5.981 10.927 4.582 1.00 61.33 H new ATOM 0 HG3 GLN A 42 -6.029 11.252 2.860 1.00 61.33 H new ATOM 0 HE21 GLN A 42 -7.887 12.167 4.986 1.00 41.03 H new ATOM 0 HE22 GLN A 42 -9.477 11.632 4.434 1.00 41.03 H new ATOM 709 N SER A 43 -3.596 8.598 5.520 1.00 65.01 N ATOM 710 CA SER A 43 -2.972 8.880 6.832 1.00 51.33 C ATOM 711 C SER A 43 -1.481 9.252 6.676 1.00 12.24 C ATOM 712 O SER A 43 -0.987 10.194 7.335 1.00 65.53 O ATOM 713 CB SER A 43 -3.146 7.683 7.784 1.00 41.20 C ATOM 714 OG SER A 43 -4.514 7.447 8.059 1.00 2.24 O ATOM 0 H SER A 43 -3.975 7.654 5.440 1.00 65.01 H new ATOM 0 HA SER A 43 -3.481 9.740 7.268 1.00 51.33 H new ATOM 0 HB2 SER A 43 -2.702 6.793 7.339 1.00 41.20 H new ATOM 0 HB3 SER A 43 -2.612 7.874 8.715 1.00 41.20 H new ATOM 0 HG SER A 43 -4.934 7.019 7.284 1.00 2.24 H new ATOM 720 N ILE A 44 -0.788 8.528 5.774 1.00 62.11 N ATOM 721 CA ILE A 44 0.600 8.839 5.408 1.00 12.52 C ATOM 722 C ILE A 44 0.664 10.252 4.802 1.00 44.41 C ATOM 723 O ILE A 44 1.261 11.147 5.376 1.00 23.04 O ATOM 724 CB ILE A 44 1.197 7.786 4.398 1.00 30.03 C ATOM 725 CG1 ILE A 44 1.199 6.352 5.025 1.00 43.40 C ATOM 726 CG2 ILE A 44 2.621 8.194 3.943 1.00 1.14 C ATOM 727 CD1 ILE A 44 1.759 5.270 4.122 1.00 34.20 C ATOM 0 H ILE A 44 -1.174 7.720 5.286 1.00 62.11 H new ATOM 0 HA ILE A 44 1.205 8.795 6.314 1.00 12.52 H new ATOM 0 HB ILE A 44 0.558 7.768 3.515 1.00 30.03 H new ATOM 0 HG12 ILE A 44 1.779 6.374 5.947 1.00 43.40 H new ATOM 0 HG13 ILE A 44 0.177 6.087 5.297 1.00 43.40 H new ATOM 0 HG21 ILE A 44 3.008 7.450 3.247 1.00 1.14 H new ATOM 0 HG22 ILE A 44 2.581 9.165 3.450 1.00 1.14 H new ATOM 0 HG23 ILE A 44 3.277 8.254 4.811 1.00 1.14 H new ATOM 0 HD11 ILE A 44 1.721 4.310 4.638 1.00 34.20 H new ATOM 0 HD12 ILE A 44 1.166 5.215 3.209 1.00 34.20 H new ATOM 0 HD13 ILE A 44 2.793 5.506 3.869 1.00 34.20 H new ATOM 739 N GLU A 45 -0.046 10.451 3.691 1.00 40.21 N ATOM 740 CA GLU A 45 -0.005 11.706 2.919 1.00 60.45 C ATOM 741 C GLU A 45 -0.373 12.941 3.783 1.00 11.12 C ATOM 742 O GLU A 45 0.190 14.026 3.585 1.00 0.54 O ATOM 743 CB GLU A 45 -0.922 11.574 1.674 1.00 75.21 C ATOM 744 CG GLU A 45 -0.470 10.460 0.699 1.00 20.42 C ATOM 745 CD GLU A 45 -1.436 10.225 -0.475 1.00 50.41 C ATOM 746 OE1 GLU A 45 -1.170 10.709 -1.597 1.00 60.32 O ATOM 747 OE2 GLU A 45 -2.467 9.545 -0.283 1.00 71.25 O ATOM 0 H GLU A 45 -0.670 9.748 3.295 1.00 40.21 H new ATOM 0 HA GLU A 45 1.019 11.874 2.586 1.00 60.45 H new ATOM 0 HB2 GLU A 45 -1.941 11.370 2.002 1.00 75.21 H new ATOM 0 HB3 GLU A 45 -0.943 12.526 1.143 1.00 75.21 H new ATOM 0 HG2 GLU A 45 0.512 10.716 0.302 1.00 20.42 H new ATOM 0 HG3 GLU A 45 -0.357 9.529 1.255 1.00 20.42 H new ATOM 754 N THR A 46 -1.247 12.743 4.796 1.00 54.04 N ATOM 755 CA THR A 46 -1.727 13.843 5.651 1.00 51.01 C ATOM 756 C THR A 46 -0.763 14.154 6.827 1.00 4.31 C ATOM 757 O THR A 46 -0.806 15.268 7.368 1.00 1.21 O ATOM 758 CB THR A 46 -3.184 13.608 6.163 1.00 2.31 C ATOM 759 OG1 THR A 46 -3.716 14.835 6.691 1.00 41.21 O ATOM 760 CG2 THR A 46 -3.262 12.525 7.243 1.00 4.13 C ATOM 0 H THR A 46 -1.632 11.830 5.038 1.00 54.04 H new ATOM 0 HA THR A 46 -1.745 14.725 5.011 1.00 51.01 H new ATOM 0 HB THR A 46 -3.771 13.268 5.310 1.00 2.31 H new ATOM 0 HG1 THR A 46 -2.991 15.362 7.088 1.00 41.21 H new ATOM 0 HG21 THR A 46 -4.297 12.403 7.562 1.00 4.13 H new ATOM 0 HG22 THR A 46 -2.893 11.582 6.840 1.00 4.13 H new ATOM 0 HG23 THR A 46 -2.651 12.818 8.097 1.00 4.13 H new ATOM 768 N VAL A 47 0.092 13.190 7.254 1.00 20.45 N ATOM 769 CA VAL A 47 1.202 13.522 8.192 1.00 14.33 C ATOM 770 C VAL A 47 2.353 14.217 7.432 1.00 43.34 C ATOM 771 O VAL A 47 3.069 15.056 8.002 1.00 44.41 O ATOM 772 CB VAL A 47 1.757 12.291 9.026 1.00 73.30 C ATOM 773 CG1 VAL A 47 0.665 11.673 9.907 1.00 31.43 C ATOM 774 CG2 VAL A 47 2.410 11.211 8.149 1.00 10.23 C ATOM 0 H VAL A 47 0.042 12.209 6.978 1.00 20.45 H new ATOM 0 HA VAL A 47 0.769 14.199 8.928 1.00 14.33 H new ATOM 0 HB VAL A 47 2.540 12.697 9.667 1.00 73.30 H new ATOM 0 HG11 VAL A 47 1.079 10.833 10.464 1.00 31.43 H new ATOM 0 HG12 VAL A 47 0.293 12.423 10.605 1.00 31.43 H new ATOM 0 HG13 VAL A 47 -0.154 11.323 9.279 1.00 31.43 H new ATOM 0 HG21 VAL A 47 2.768 10.398 8.780 1.00 10.23 H new ATOM 0 HG22 VAL A 47 1.677 10.825 7.441 1.00 10.23 H new ATOM 0 HG23 VAL A 47 3.249 11.643 7.603 1.00 10.23 H new ATOM 784 N MET A 48 2.496 13.885 6.128 1.00 74.21 N ATOM 785 CA MET A 48 3.609 14.380 5.293 1.00 13.40 C ATOM 786 C MET A 48 3.308 15.762 4.669 1.00 32.41 C ATOM 787 O MET A 48 4.240 16.458 4.261 1.00 21.03 O ATOM 788 CB MET A 48 3.962 13.354 4.190 1.00 15.41 C ATOM 789 CG MET A 48 4.141 11.917 4.701 1.00 1.42 C ATOM 790 SD MET A 48 5.180 11.770 6.170 1.00 13.21 S ATOM 791 CE MET A 48 6.806 12.030 5.495 1.00 21.44 C ATOM 0 H MET A 48 1.849 13.273 5.631 1.00 74.21 H new ATOM 0 HA MET A 48 4.469 14.505 5.951 1.00 13.40 H new ATOM 0 HB2 MET A 48 3.176 13.364 3.435 1.00 15.41 H new ATOM 0 HB3 MET A 48 4.881 13.669 3.697 1.00 15.41 H new ATOM 0 HG2 MET A 48 3.159 11.498 4.922 1.00 1.42 H new ATOM 0 HG3 MET A 48 4.573 11.312 3.904 1.00 1.42 H new ATOM 0 HE1 MET A 48 7.443 11.181 5.742 1.00 21.44 H new ATOM 0 HE2 MET A 48 6.739 12.130 4.412 1.00 21.44 H new ATOM 0 HE3 MET A 48 7.234 12.939 5.917 1.00 21.44 H new ATOM 801 N GLU A 49 2.018 16.160 4.590 1.00 60.43 N ATOM 802 CA GLU A 49 1.635 17.537 4.151 1.00 32.33 C ATOM 803 C GLU A 49 2.001 18.580 5.235 1.00 45.53 C ATOM 804 O GLU A 49 2.193 19.760 4.934 1.00 54.14 O ATOM 805 CB GLU A 49 0.130 17.615 3.786 1.00 23.15 C ATOM 806 CG GLU A 49 -0.828 17.368 4.959 1.00 41.32 C ATOM 807 CD GLU A 49 -2.306 17.317 4.555 1.00 14.23 C ATOM 808 OE1 GLU A 49 -2.655 16.531 3.651 1.00 5.43 O ATOM 809 OE2 GLU A 49 -3.136 18.019 5.166 1.00 31.42 O ATOM 0 H GLU A 49 1.226 15.560 4.820 1.00 60.43 H new ATOM 0 HA GLU A 49 2.203 17.771 3.250 1.00 32.33 H new ATOM 0 HB2 GLU A 49 -0.078 18.599 3.366 1.00 23.15 H new ATOM 0 HB3 GLU A 49 -0.079 16.885 3.004 1.00 23.15 H new ATOM 0 HG2 GLU A 49 -0.561 16.428 5.441 1.00 41.32 H new ATOM 0 HG3 GLU A 49 -0.691 18.156 5.699 1.00 41.32 H new ATOM 816 N LYS A 50 2.088 18.116 6.498 1.00 73.24 N ATOM 817 CA LYS A 50 2.646 18.903 7.620 1.00 32.52 C ATOM 818 C LYS A 50 4.189 18.910 7.574 1.00 33.45 C ATOM 819 O LYS A 50 4.817 19.673 8.320 1.00 53.32 O ATOM 820 CB LYS A 50 2.151 18.329 8.984 1.00 24.51 C ATOM 821 CG LYS A 50 0.686 18.665 9.349 1.00 23.11 C ATOM 822 CD LYS A 50 0.425 20.193 9.395 1.00 54.30 C ATOM 823 CE LYS A 50 -0.860 20.572 10.149 1.00 33.20 C ATOM 824 NZ LYS A 50 -2.070 19.905 9.605 1.00 1.14 N ATOM 0 H LYS A 50 1.774 17.185 6.771 1.00 73.24 H new ATOM 0 HA LYS A 50 2.296 19.930 7.521 1.00 32.52 H new ATOM 0 HB2 LYS A 50 2.264 17.245 8.966 1.00 24.51 H new ATOM 0 HB3 LYS A 50 2.801 18.704 9.775 1.00 24.51 H new ATOM 0 HG2 LYS A 50 0.018 18.207 8.620 1.00 23.11 H new ATOM 0 HG3 LYS A 50 0.447 18.229 10.319 1.00 23.11 H new ATOM 0 HD2 LYS A 50 1.274 20.685 9.870 1.00 54.30 H new ATOM 0 HD3 LYS A 50 0.365 20.574 8.376 1.00 54.30 H new ATOM 0 HE2 LYS A 50 -0.749 20.309 11.201 1.00 33.20 H new ATOM 0 HE3 LYS A 50 -0.996 21.653 10.104 1.00 33.20 H new ATOM 0 HZ1 LYS A 50 -2.897 20.522 9.740 1.00 1.14 H new ATOM 0 HZ2 LYS A 50 -1.938 19.720 8.590 1.00 1.14 H new ATOM 0 HZ3 LYS A 50 -2.224 19.005 10.103 1.00 1.14 H new ATOM 838 N GLN A 51 4.770 18.026 6.719 1.00 54.45 N ATOM 839 CA GLN A 51 6.227 17.890 6.487 1.00 32.40 C ATOM 840 C GLN A 51 6.976 17.528 7.784 1.00 74.20 C ATOM 841 O GLN A 51 8.175 17.816 7.902 1.00 72.31 O ATOM 842 CB GLN A 51 6.801 19.188 5.821 1.00 61.24 C ATOM 843 CG GLN A 51 6.197 19.518 4.437 1.00 15.44 C ATOM 844 CD GLN A 51 6.770 20.792 3.802 1.00 72.53 C ATOM 845 OE1 GLN A 51 7.745 20.744 3.052 1.00 33.51 O ATOM 846 NE2 GLN A 51 6.175 21.938 4.105 1.00 52.43 N ATOM 0 H GLN A 51 4.221 17.373 6.160 1.00 54.45 H new ATOM 0 HA GLN A 51 6.385 17.063 5.795 1.00 32.40 H new ATOM 0 HB2 GLN A 51 6.628 20.031 6.490 1.00 61.24 H new ATOM 0 HB3 GLN A 51 7.881 19.081 5.716 1.00 61.24 H new ATOM 0 HG2 GLN A 51 6.371 18.678 3.765 1.00 15.44 H new ATOM 0 HG3 GLN A 51 5.117 19.627 4.538 1.00 15.44 H new ATOM 0 HE21 GLN A 51 5.369 21.944 4.730 1.00 52.43 H new ATOM 0 HE22 GLN A 51 6.524 22.813 3.713 1.00 52.43 H new ATOM 855 N THR A 52 6.253 16.844 8.714 1.00 40.10 N ATOM 856 CA THR A 52 6.707 16.579 10.087 1.00 21.44 C ATOM 857 C THR A 52 6.924 17.917 10.850 1.00 62.32 C ATOM 858 O THR A 52 7.944 18.582 10.653 1.00 10.20 O ATOM 859 CB THR A 52 7.990 15.673 10.133 1.00 55.20 C ATOM 860 OG1 THR A 52 7.667 14.368 9.619 1.00 74.43 O ATOM 861 CG2 THR A 52 8.585 15.542 11.550 1.00 64.11 C ATOM 0 H THR A 52 5.328 16.461 8.517 1.00 40.10 H new ATOM 0 HA THR A 52 5.921 16.016 10.590 1.00 21.44 H new ATOM 0 HB THR A 52 8.749 16.154 9.516 1.00 55.20 H new ATOM 0 HG1 THR A 52 8.235 13.696 10.051 1.00 74.43 H new ATOM 0 HG21 THR A 52 9.468 14.905 11.516 1.00 64.11 H new ATOM 0 HG22 THR A 52 8.863 16.529 11.920 1.00 64.11 H new ATOM 0 HG23 THR A 52 7.844 15.100 12.216 1.00 64.11 H new ATOM 869 N PRO A 53 5.936 18.357 11.692 1.00 24.41 N ATOM 870 CA PRO A 53 6.082 19.579 12.527 1.00 61.20 C ATOM 871 C PRO A 53 7.320 19.468 13.441 1.00 44.10 C ATOM 872 O PRO A 53 7.428 18.494 14.151 1.00 34.11 O ATOM 873 CB PRO A 53 4.772 19.602 13.361 1.00 33.31 C ATOM 874 CG PRO A 53 3.801 18.790 12.556 1.00 65.20 C ATOM 875 CD PRO A 53 4.617 17.708 11.898 1.00 21.24 C ATOM 0 HA PRO A 53 6.226 20.486 11.941 1.00 61.20 H new ATOM 0 HB2 PRO A 53 4.924 19.172 14.351 1.00 33.31 H new ATOM 0 HB3 PRO A 53 4.412 20.620 13.507 1.00 33.31 H new ATOM 0 HG2 PRO A 53 3.026 18.363 13.193 1.00 65.20 H new ATOM 0 HG3 PRO A 53 3.298 19.407 11.812 1.00 65.20 H new ATOM 0 HD2 PRO A 53 4.698 16.824 12.530 1.00 21.24 H new ATOM 0 HD3 PRO A 53 4.174 17.387 10.955 1.00 21.24 H new ATOM 883 N PRO A 54 8.286 20.436 13.410 1.00 54.13 N ATOM 884 CA PRO A 54 9.549 20.341 14.203 1.00 53.41 C ATOM 885 C PRO A 54 9.354 20.372 15.740 1.00 22.13 C ATOM 886 O PRO A 54 10.322 20.152 16.483 1.00 65.44 O ATOM 887 CB PRO A 54 10.376 21.563 13.711 1.00 62.52 C ATOM 888 CG PRO A 54 9.741 21.956 12.406 1.00 32.52 C ATOM 889 CD PRO A 54 8.269 21.667 12.581 1.00 61.30 C ATOM 0 HA PRO A 54 10.035 19.379 14.043 1.00 53.41 H new ATOM 0 HB2 PRO A 54 10.340 22.381 14.431 1.00 62.52 H new ATOM 0 HB3 PRO A 54 11.426 21.302 13.577 1.00 62.52 H new ATOM 0 HG2 PRO A 54 9.912 23.010 12.186 1.00 32.52 H new ATOM 0 HG3 PRO A 54 10.159 21.385 11.577 1.00 32.52 H new ATOM 0 HD2 PRO A 54 7.750 22.486 13.079 1.00 61.30 H new ATOM 0 HD3 PRO A 54 7.769 21.507 11.626 1.00 61.30 H new ATOM 897 N GLY A 55 8.114 20.645 16.208 1.00 10.34 N ATOM 898 CA GLY A 55 7.798 20.682 17.642 1.00 51.05 C ATOM 899 C GLY A 55 7.530 19.289 18.225 1.00 73.00 C ATOM 900 O GLY A 55 6.453 19.028 18.772 1.00 12.24 O ATOM 0 H GLY A 55 7.317 20.843 15.604 1.00 10.34 H new ATOM 0 HA2 GLY A 55 8.626 21.144 18.180 1.00 51.05 H new ATOM 0 HA3 GLY A 55 6.923 21.312 17.801 1.00 51.05 H new ATOM 904 N ILE A 56 8.530 18.394 18.105 1.00 24.34 N ATOM 905 CA ILE A 56 8.442 16.981 18.527 1.00 13.20 C ATOM 906 C ILE A 56 9.552 16.690 19.545 1.00 2.42 C ATOM 907 O ILE A 56 10.737 16.798 19.201 1.00 20.22 O ATOM 908 CB ILE A 56 8.617 16.009 17.284 1.00 4.41 C ATOM 909 CG1 ILE A 56 7.567 16.306 16.172 1.00 52.04 C ATOM 910 CG2 ILE A 56 8.557 14.526 17.702 1.00 54.32 C ATOM 911 CD1 ILE A 56 6.113 16.219 16.599 1.00 1.14 C ATOM 0 H ILE A 56 9.437 18.636 17.706 1.00 24.34 H new ATOM 0 HA ILE A 56 7.461 16.811 18.972 1.00 13.20 H new ATOM 0 HB ILE A 56 9.609 16.200 16.874 1.00 4.41 H new ATOM 0 HG12 ILE A 56 7.752 17.306 15.781 1.00 52.04 H new ATOM 0 HG13 ILE A 56 7.728 15.608 15.351 1.00 52.04 H new ATOM 0 HG21 ILE A 56 8.681 13.895 16.822 1.00 54.32 H new ATOM 0 HG22 ILE A 56 9.355 14.316 18.414 1.00 54.32 H new ATOM 0 HG23 ILE A 56 7.593 14.317 18.165 1.00 54.32 H new ATOM 0 HD11 ILE A 56 5.470 16.444 15.748 1.00 1.14 H new ATOM 0 HD12 ILE A 56 5.899 15.213 16.959 1.00 1.14 H new ATOM 0 HD13 ILE A 56 5.924 16.938 17.396 1.00 1.14 H new ATOM 923 N THR A 57 9.177 16.319 20.786 1.00 75.21 N ATOM 924 CA THR A 57 10.151 15.903 21.812 1.00 5.35 C ATOM 925 C THR A 57 10.647 14.475 21.500 1.00 65.45 C ATOM 926 O THR A 57 10.009 13.755 20.723 1.00 11.11 O ATOM 927 CB THR A 57 9.553 15.974 23.258 1.00 41.43 C ATOM 928 OG1 THR A 57 10.596 15.771 24.221 1.00 21.23 O ATOM 929 CG2 THR A 57 8.437 14.939 23.499 1.00 54.33 C ATOM 0 H THR A 57 8.207 16.299 21.100 1.00 75.21 H new ATOM 0 HA THR A 57 10.990 16.598 21.783 1.00 5.35 H new ATOM 0 HB THR A 57 9.109 16.964 23.368 1.00 41.43 H new ATOM 0 HG1 THR A 57 10.220 15.817 25.125 1.00 21.23 H new ATOM 0 HG21 THR A 57 8.063 15.038 24.518 1.00 54.33 H new ATOM 0 HG22 THR A 57 7.623 15.111 22.795 1.00 54.33 H new ATOM 0 HG23 THR A 57 8.835 13.935 23.354 1.00 54.33 H new ATOM 937 N ARG A 58 11.739 14.049 22.160 1.00 52.13 N ATOM 938 CA ARG A 58 12.460 12.807 21.801 1.00 22.12 C ATOM 939 C ARG A 58 11.625 11.544 22.101 1.00 62.34 C ATOM 940 O ARG A 58 11.832 10.515 21.471 1.00 43.23 O ATOM 941 CB ARG A 58 13.857 12.764 22.509 1.00 61.13 C ATOM 942 CG ARG A 58 13.842 12.658 24.069 1.00 62.50 C ATOM 943 CD ARG A 58 13.797 11.205 24.602 1.00 55.23 C ATOM 944 NE ARG A 58 13.607 11.141 26.061 1.00 10.54 N ATOM 945 CZ ARG A 58 13.735 10.026 26.802 1.00 32.11 C ATOM 946 NH1 ARG A 58 14.052 8.867 26.235 1.00 4.25 N ATOM 947 NH2 ARG A 58 13.534 10.085 28.111 1.00 22.23 N ATOM 0 H ARG A 58 12.146 14.548 22.951 1.00 52.13 H new ATOM 0 HA ARG A 58 12.625 12.815 20.724 1.00 22.12 H new ATOM 0 HB2 ARG A 58 14.414 11.915 22.114 1.00 61.13 H new ATOM 0 HB3 ARG A 58 14.408 13.663 22.233 1.00 61.13 H new ATOM 0 HG2 ARG A 58 14.729 13.152 24.465 1.00 62.50 H new ATOM 0 HG3 ARG A 58 12.978 13.201 24.451 1.00 62.50 H new ATOM 0 HD2 ARG A 58 12.987 10.667 24.110 1.00 55.23 H new ATOM 0 HD3 ARG A 58 14.724 10.696 24.338 1.00 55.23 H new ATOM 0 HE ARG A 58 13.361 12.005 26.544 1.00 10.54 H new ATOM 0 HH11 ARG A 58 14.201 8.816 25.227 1.00 4.25 H new ATOM 0 HH12 ARG A 58 14.146 8.028 26.807 1.00 4.25 H new ATOM 0 HH21 ARG A 58 13.284 10.972 28.549 1.00 22.23 H new ATOM 0 HH22 ARG A 58 13.629 9.244 28.680 1.00 22.23 H new ATOM 961 N SER A 59 10.690 11.648 23.069 1.00 24.22 N ATOM 962 CA SER A 59 9.779 10.548 23.426 1.00 14.40 C ATOM 963 C SER A 59 8.752 10.319 22.301 1.00 31.51 C ATOM 964 O SER A 59 8.537 9.187 21.867 1.00 73.34 O ATOM 965 CB SER A 59 9.071 10.853 24.765 1.00 31.11 C ATOM 966 OG SER A 59 8.249 9.776 25.171 1.00 14.52 O ATOM 0 H SER A 59 10.548 12.494 23.621 1.00 24.22 H new ATOM 0 HA SER A 59 10.360 9.634 23.548 1.00 14.40 H new ATOM 0 HB2 SER A 59 9.816 11.054 25.535 1.00 31.11 H new ATOM 0 HB3 SER A 59 8.467 11.755 24.662 1.00 31.11 H new ATOM 0 HG SER A 59 7.816 9.998 26.022 1.00 14.52 H new ATOM 972 N ILE A 60 8.157 11.425 21.812 1.00 71.53 N ATOM 973 CA ILE A 60 7.189 11.399 20.697 1.00 70.11 C ATOM 974 C ILE A 60 7.873 10.911 19.408 1.00 22.22 C ATOM 975 O ILE A 60 7.315 10.100 18.666 1.00 52.24 O ATOM 976 CB ILE A 60 6.546 12.818 20.481 1.00 62.40 C ATOM 977 CG1 ILE A 60 5.707 13.220 21.736 1.00 43.51 C ATOM 978 CG2 ILE A 60 5.685 12.867 19.194 1.00 33.43 C ATOM 979 CD1 ILE A 60 5.157 14.630 21.699 1.00 42.14 C ATOM 0 H ILE A 60 8.334 12.360 22.178 1.00 71.53 H new ATOM 0 HA ILE A 60 6.390 10.702 20.951 1.00 70.11 H new ATOM 0 HB ILE A 60 7.352 13.540 20.351 1.00 62.40 H new ATOM 0 HG12 ILE A 60 4.876 12.522 21.840 1.00 43.51 H new ATOM 0 HG13 ILE A 60 6.329 13.110 22.624 1.00 43.51 H new ATOM 0 HG21 ILE A 60 5.258 13.863 19.080 1.00 33.43 H new ATOM 0 HG22 ILE A 60 6.309 12.638 18.330 1.00 33.43 H new ATOM 0 HG23 ILE A 60 4.882 12.134 19.266 1.00 33.43 H new ATOM 0 HD11 ILE A 60 4.589 14.823 22.609 1.00 42.14 H new ATOM 0 HD12 ILE A 60 5.981 15.340 21.628 1.00 42.14 H new ATOM 0 HD13 ILE A 60 4.505 14.744 20.833 1.00 42.14 H new ATOM 991 N GLN A 61 9.096 11.409 19.197 1.00 34.41 N ATOM 992 CA GLN A 61 9.962 11.039 18.069 1.00 51.40 C ATOM 993 C GLN A 61 10.291 9.532 18.094 1.00 62.31 C ATOM 994 O GLN A 61 10.333 8.883 17.050 1.00 32.51 O ATOM 995 CB GLN A 61 11.255 11.881 18.144 1.00 12.14 C ATOM 996 CG GLN A 61 12.298 11.554 17.081 1.00 12.15 C ATOM 997 CD GLN A 61 13.549 12.405 17.226 1.00 74.44 C ATOM 998 OE1 GLN A 61 14.466 12.053 17.959 1.00 64.02 O ATOM 999 NE2 GLN A 61 13.603 13.520 16.514 1.00 61.01 N ATOM 0 H GLN A 61 9.522 12.096 19.819 1.00 34.41 H new ATOM 0 HA GLN A 61 9.443 11.242 17.132 1.00 51.40 H new ATOM 0 HB2 GLN A 61 10.990 12.935 18.060 1.00 12.14 H new ATOM 0 HB3 GLN A 61 11.704 11.743 19.127 1.00 12.14 H new ATOM 0 HG2 GLN A 61 12.567 10.500 17.150 1.00 12.15 H new ATOM 0 HG3 GLN A 61 11.867 11.709 16.092 1.00 12.15 H new ATOM 0 HE21 GLN A 61 12.820 13.781 15.915 1.00 61.01 H new ATOM 0 HE22 GLN A 61 14.428 14.118 16.565 1.00 61.01 H new ATOM 1008 N ASP A 62 10.511 9.003 19.308 1.00 24.11 N ATOM 1009 CA ASP A 62 10.780 7.573 19.543 1.00 4.01 C ATOM 1010 C ASP A 62 9.551 6.719 19.178 1.00 31.13 C ATOM 1011 O ASP A 62 9.687 5.708 18.478 1.00 52.41 O ATOM 1012 CB ASP A 62 11.183 7.346 21.023 1.00 12.52 C ATOM 1013 CG ASP A 62 11.357 5.862 21.391 1.00 44.55 C ATOM 1014 OD1 ASP A 62 10.415 5.261 21.952 1.00 34.04 O ATOM 1015 OD2 ASP A 62 12.422 5.283 21.093 1.00 63.24 O ATOM 0 H ASP A 62 10.507 9.560 20.163 1.00 24.11 H new ATOM 0 HA ASP A 62 11.606 7.264 18.903 1.00 4.01 H new ATOM 0 HB2 ASP A 62 12.116 7.873 21.222 1.00 12.52 H new ATOM 0 HB3 ASP A 62 10.424 7.786 21.670 1.00 12.52 H new ATOM 1020 N MET A 63 8.359 7.151 19.657 1.00 4.22 N ATOM 1021 CA MET A 63 7.082 6.443 19.411 1.00 14.12 C ATOM 1022 C MET A 63 6.847 6.297 17.908 1.00 21.42 C ATOM 1023 O MET A 63 6.659 5.180 17.399 1.00 3.25 O ATOM 1024 CB MET A 63 5.864 7.174 20.047 1.00 53.30 C ATOM 1025 CG MET A 63 5.907 7.317 21.570 1.00 14.33 C ATOM 1026 SD MET A 63 4.339 7.902 22.265 1.00 65.04 S ATOM 1027 CE MET A 63 4.031 9.407 21.333 1.00 35.32 C ATOM 0 H MET A 63 8.257 7.995 20.221 1.00 4.22 H new ATOM 0 HA MET A 63 7.167 5.463 19.881 1.00 14.12 H new ATOM 0 HB2 MET A 63 5.789 8.169 19.608 1.00 53.30 H new ATOM 0 HB3 MET A 63 4.956 6.636 19.775 1.00 53.30 H new ATOM 0 HG2 MET A 63 6.159 6.354 22.014 1.00 14.33 H new ATOM 0 HG3 MET A 63 6.702 8.011 21.843 1.00 14.33 H new ATOM 0 HE1 MET A 63 2.977 9.673 21.410 1.00 35.32 H new ATOM 0 HE2 MET A 63 4.640 10.216 21.736 1.00 35.32 H new ATOM 0 HE3 MET A 63 4.289 9.246 20.286 1.00 35.32 H new ATOM 1037 N VAL A 64 6.921 7.438 17.203 1.00 43.33 N ATOM 1038 CA VAL A 64 6.629 7.494 15.771 1.00 73.41 C ATOM 1039 C VAL A 64 7.731 6.830 14.942 1.00 61.23 C ATOM 1040 O VAL A 64 7.424 6.275 13.917 1.00 71.20 O ATOM 1041 CB VAL A 64 6.343 8.947 15.272 1.00 33.42 C ATOM 1042 CG1 VAL A 64 5.160 9.569 16.060 1.00 42.10 C ATOM 1043 CG2 VAL A 64 7.604 9.828 15.339 1.00 20.45 C ATOM 0 H VAL A 64 7.183 8.336 17.609 1.00 43.33 H new ATOM 0 HA VAL A 64 5.712 6.924 15.624 1.00 73.41 H new ATOM 0 HB VAL A 64 6.054 8.895 14.222 1.00 33.42 H new ATOM 0 HG11 VAL A 64 4.975 10.581 15.699 1.00 42.10 H new ATOM 0 HG12 VAL A 64 4.266 8.962 15.914 1.00 42.10 H new ATOM 0 HG13 VAL A 64 5.407 9.601 17.121 1.00 42.10 H new ATOM 0 HG21 VAL A 64 7.366 10.831 14.984 1.00 20.45 H new ATOM 0 HG22 VAL A 64 7.956 9.881 16.369 1.00 20.45 H new ATOM 0 HG23 VAL A 64 8.383 9.396 14.711 1.00 20.45 H new ATOM 1053 N ALA A 65 8.993 6.850 15.421 1.00 43.40 N ATOM 1054 CA ALA A 65 10.104 6.112 14.770 1.00 3.25 C ATOM 1055 C ALA A 65 9.810 4.596 14.774 1.00 54.44 C ATOM 1056 O ALA A 65 10.116 3.888 13.804 1.00 71.32 O ATOM 1057 CB ALA A 65 11.445 6.398 15.457 1.00 31.15 C ATOM 0 H ALA A 65 9.271 7.368 16.255 1.00 43.40 H new ATOM 0 HA ALA A 65 10.179 6.458 13.739 1.00 3.25 H new ATOM 0 HB1 ALA A 65 12.237 5.842 14.955 1.00 31.15 H new ATOM 0 HB2 ALA A 65 11.661 7.465 15.403 1.00 31.15 H new ATOM 0 HB3 ALA A 65 11.392 6.091 16.501 1.00 31.15 H new ATOM 1063 N GLY A 66 9.169 4.131 15.871 1.00 4.44 N ATOM 1064 CA GLY A 66 8.650 2.767 15.956 1.00 75.05 C ATOM 1065 C GLY A 66 7.562 2.517 14.922 1.00 12.44 C ATOM 1066 O GLY A 66 7.617 1.536 14.180 1.00 52.33 O ATOM 0 H GLY A 66 9.004 4.691 16.707 1.00 4.44 H new ATOM 0 HA2 GLY A 66 9.464 2.057 15.808 1.00 75.05 H new ATOM 0 HA3 GLY A 66 8.251 2.590 16.955 1.00 75.05 H new ATOM 1070 N TYR A 67 6.616 3.469 14.817 1.00 64.15 N ATOM 1071 CA TYR A 67 5.473 3.372 13.885 1.00 12.14 C ATOM 1072 C TYR A 67 5.920 3.401 12.407 1.00 61.31 C ATOM 1073 O TYR A 67 5.316 2.725 11.561 1.00 23.10 O ATOM 1074 CB TYR A 67 4.448 4.499 14.156 1.00 24.01 C ATOM 1075 CG TYR A 67 3.854 4.488 15.581 1.00 31.22 C ATOM 1076 CD1 TYR A 67 3.668 5.674 16.300 1.00 34.15 C ATOM 1077 CD2 TYR A 67 3.490 3.290 16.212 1.00 22.41 C ATOM 1078 CE1 TYR A 67 3.148 5.669 17.580 1.00 42.33 C ATOM 1079 CE2 TYR A 67 2.965 3.285 17.492 1.00 61.22 C ATOM 1080 CZ TYR A 67 2.799 4.475 18.170 1.00 72.32 C ATOM 1081 OH TYR A 67 2.275 4.471 19.447 1.00 35.50 O ATOM 0 H TYR A 67 6.621 4.324 15.373 1.00 64.15 H new ATOM 0 HA TYR A 67 4.998 2.408 14.065 1.00 12.14 H new ATOM 0 HB2 TYR A 67 4.930 5.461 13.983 1.00 24.01 H new ATOM 0 HB3 TYR A 67 3.635 4.415 13.435 1.00 24.01 H new ATOM 0 HD1 TYR A 67 3.937 6.615 15.844 1.00 34.15 H new ATOM 0 HD2 TYR A 67 3.622 2.354 15.689 1.00 22.41 H new ATOM 0 HE1 TYR A 67 3.016 6.598 18.115 1.00 42.33 H new ATOM 0 HE2 TYR A 67 2.686 2.352 17.959 1.00 61.22 H new ATOM 0 HH TYR A 67 2.080 3.550 19.718 1.00 35.50 H new ATOM 1091 N ILE A 68 6.991 4.169 12.107 1.00 35.21 N ATOM 1092 CA ILE A 68 7.532 4.274 10.741 1.00 24.02 C ATOM 1093 C ILE A 68 8.284 2.979 10.383 1.00 2.32 C ATOM 1094 O ILE A 68 8.195 2.508 9.256 1.00 33.43 O ATOM 1095 CB ILE A 68 8.491 5.512 10.511 1.00 51.32 C ATOM 1096 CG1 ILE A 68 7.838 6.851 10.963 1.00 13.20 C ATOM 1097 CG2 ILE A 68 8.883 5.613 9.012 1.00 20.41 C ATOM 1098 CD1 ILE A 68 8.766 8.059 10.928 1.00 30.21 C ATOM 0 H ILE A 68 7.496 4.725 12.797 1.00 35.21 H new ATOM 0 HA ILE A 68 6.671 4.428 10.090 1.00 24.02 H new ATOM 0 HB ILE A 68 9.380 5.348 11.120 1.00 51.32 H new ATOM 0 HG12 ILE A 68 6.978 7.053 10.325 1.00 13.20 H new ATOM 0 HG13 ILE A 68 7.460 6.730 11.978 1.00 13.20 H new ATOM 0 HG21 ILE A 68 9.543 6.468 8.865 1.00 20.41 H new ATOM 0 HG22 ILE A 68 9.398 4.701 8.708 1.00 20.41 H new ATOM 0 HG23 ILE A 68 7.984 5.741 8.409 1.00 20.41 H new ATOM 0 HD11 ILE A 68 8.223 8.944 11.259 1.00 30.21 H new ATOM 0 HD12 ILE A 68 9.615 7.885 11.589 1.00 30.21 H new ATOM 0 HD13 ILE A 68 9.125 8.213 9.910 1.00 30.21 H new ATOM 1110 N LYS A 69 9.001 2.400 11.358 1.00 52.54 N ATOM 1111 CA LYS A 69 9.758 1.143 11.155 1.00 45.24 C ATOM 1112 C LYS A 69 8.774 -0.007 10.808 1.00 5.43 C ATOM 1113 O LYS A 69 9.054 -0.851 9.935 1.00 73.12 O ATOM 1114 CB LYS A 69 10.617 0.812 12.432 1.00 45.22 C ATOM 1115 CG LYS A 69 11.997 0.148 12.148 1.00 2.54 C ATOM 1116 CD LYS A 69 11.944 -1.321 11.643 1.00 14.44 C ATOM 1117 CE LYS A 69 11.885 -2.361 12.774 1.00 71.44 C ATOM 1118 NZ LYS A 69 10.667 -2.236 13.617 1.00 15.13 N ATOM 0 H LYS A 69 9.076 2.780 12.302 1.00 52.54 H new ATOM 0 HA LYS A 69 10.448 1.261 10.320 1.00 45.24 H new ATOM 0 HB2 LYS A 69 10.783 1.735 12.988 1.00 45.22 H new ATOM 0 HB3 LYS A 69 10.039 0.151 13.078 1.00 45.22 H new ATOM 0 HG2 LYS A 69 12.524 0.749 11.407 1.00 2.54 H new ATOM 0 HG3 LYS A 69 12.590 0.178 13.062 1.00 2.54 H new ATOM 0 HD2 LYS A 69 11.071 -1.444 11.002 1.00 14.44 H new ATOM 0 HD3 LYS A 69 12.822 -1.516 11.027 1.00 14.44 H new ATOM 0 HE2 LYS A 69 11.920 -3.361 12.342 1.00 71.44 H new ATOM 0 HE3 LYS A 69 12.768 -2.255 13.404 1.00 71.44 H new ATOM 0 HZ1 LYS A 69 10.503 -3.129 14.125 1.00 15.13 H new ATOM 0 HZ2 LYS A 69 10.798 -1.466 14.304 1.00 15.13 H new ATOM 0 HZ3 LYS A 69 9.847 -2.026 13.013 1.00 15.13 H new ATOM 1132 N GLN A 70 7.598 0.018 11.480 1.00 34.04 N ATOM 1133 CA GLN A 70 6.508 -0.943 11.231 1.00 73.45 C ATOM 1134 C GLN A 70 5.937 -0.754 9.825 1.00 44.45 C ATOM 1135 O GLN A 70 5.882 -1.715 9.056 1.00 3.33 O ATOM 1136 CB GLN A 70 5.385 -0.810 12.291 1.00 3.03 C ATOM 1137 CG GLN A 70 5.835 -1.126 13.728 1.00 15.30 C ATOM 1138 CD GLN A 70 4.736 -0.967 14.781 1.00 25.13 C ATOM 1139 OE1 GLN A 70 3.495 -1.321 14.438 1.00 73.41 O flip ATOM 1140 NE2 GLN A 70 5.014 -0.563 15.905 1.00 43.13 N flip ATOM 0 H GLN A 70 7.384 0.703 12.205 1.00 34.04 H new ATOM 0 HA GLN A 70 6.926 -1.947 11.309 1.00 73.45 H new ATOM 0 HB2 GLN A 70 4.990 0.206 12.261 1.00 3.03 H new ATOM 0 HB3 GLN A 70 4.567 -1.478 12.023 1.00 3.03 H new ATOM 0 HG2 GLN A 70 6.210 -2.149 13.762 1.00 15.30 H new ATOM 0 HG3 GLN A 70 6.668 -0.473 13.987 1.00 15.30 H new ATOM 0 HE21 GLN A 70 5.974 -0.302 16.130 1.00 43.13 H new ATOM 0 HE22 GLN A 70 4.285 -0.488 16.615 1.00 43.13 H new ATOM 1149 N THR A 71 5.560 0.497 9.487 1.00 35.11 N ATOM 1150 CA THR A 71 4.888 0.797 8.215 1.00 72.13 C ATOM 1151 C THR A 71 5.812 0.487 7.021 1.00 13.42 C ATOM 1152 O THR A 71 5.351 -0.053 6.036 1.00 62.03 O ATOM 1153 CB THR A 71 4.339 2.272 8.148 1.00 44.01 C ATOM 1154 OG1 THR A 71 3.400 2.400 7.078 1.00 64.01 O ATOM 1155 CG2 THR A 71 5.423 3.342 7.946 1.00 74.12 C ATOM 0 H THR A 71 5.712 1.312 10.081 1.00 35.11 H new ATOM 0 HA THR A 71 4.017 0.144 8.156 1.00 72.13 H new ATOM 0 HB THR A 71 3.878 2.447 9.120 1.00 44.01 H new ATOM 0 HG1 THR A 71 3.423 3.316 6.730 1.00 64.01 H new ATOM 0 HG21 THR A 71 4.959 4.328 7.911 1.00 74.12 H new ATOM 0 HG22 THR A 71 6.131 3.303 8.774 1.00 74.12 H new ATOM 0 HG23 THR A 71 5.949 3.155 7.010 1.00 74.12 H new ATOM 1163 N LEU A 72 7.126 0.764 7.169 1.00 62.45 N ATOM 1164 CA LEU A 72 8.142 0.469 6.134 1.00 41.42 C ATOM 1165 C LEU A 72 8.251 -1.038 5.892 1.00 54.41 C ATOM 1166 O LEU A 72 8.271 -1.477 4.749 1.00 62.12 O ATOM 1167 CB LEU A 72 9.538 1.027 6.534 1.00 75.04 C ATOM 1168 CG LEU A 72 9.698 2.573 6.505 1.00 2.23 C ATOM 1169 CD1 LEU A 72 11.075 2.994 7.065 1.00 71.14 C ATOM 1170 CD2 LEU A 72 9.476 3.123 5.081 1.00 50.55 C ATOM 0 H LEU A 72 7.512 1.198 8.008 1.00 62.45 H new ATOM 0 HA LEU A 72 7.818 0.960 5.216 1.00 41.42 H new ATOM 0 HB2 LEU A 72 9.770 0.678 7.540 1.00 75.04 H new ATOM 0 HB3 LEU A 72 10.283 0.594 5.867 1.00 75.04 H new ATOM 0 HG LEU A 72 8.933 3.007 7.149 1.00 2.23 H new ATOM 0 HD11 LEU A 72 11.164 4.080 7.034 1.00 71.14 H new ATOM 0 HD12 LEU A 72 11.169 2.651 8.095 1.00 71.14 H new ATOM 0 HD13 LEU A 72 11.865 2.548 6.461 1.00 71.14 H new ATOM 0 HD21 LEU A 72 9.593 4.207 5.087 1.00 50.55 H new ATOM 0 HD22 LEU A 72 10.207 2.683 4.403 1.00 50.55 H new ATOM 0 HD23 LEU A 72 8.471 2.869 4.745 1.00 50.55 H new ATOM 1182 N ASP A 73 8.317 -1.804 6.998 1.00 2.24 N ATOM 1183 CA ASP A 73 8.469 -3.271 6.961 1.00 44.12 C ATOM 1184 C ASP A 73 7.255 -3.929 6.286 1.00 3.24 C ATOM 1185 O ASP A 73 7.410 -4.718 5.350 1.00 33.12 O ATOM 1186 CB ASP A 73 8.647 -3.820 8.398 1.00 35.51 C ATOM 1187 CG ASP A 73 8.798 -5.353 8.442 1.00 41.03 C ATOM 1188 OD1 ASP A 73 7.796 -6.056 8.694 1.00 12.44 O ATOM 1189 OD2 ASP A 73 9.914 -5.860 8.214 1.00 5.03 O ATOM 0 H ASP A 73 8.266 -1.423 7.943 1.00 2.24 H new ATOM 0 HA ASP A 73 9.356 -3.512 6.375 1.00 44.12 H new ATOM 0 HB2 ASP A 73 9.526 -3.361 8.850 1.00 35.51 H new ATOM 0 HB3 ASP A 73 7.788 -3.527 9.002 1.00 35.51 H new ATOM 1194 N ASN A 74 6.055 -3.564 6.761 1.00 22.14 N ATOM 1195 CA ASN A 74 4.784 -4.148 6.299 1.00 22.44 C ATOM 1196 C ASN A 74 4.517 -3.790 4.828 1.00 52.32 C ATOM 1197 O ASN A 74 4.105 -4.639 4.048 1.00 44.42 O ATOM 1198 CB ASN A 74 3.609 -3.662 7.185 1.00 20.13 C ATOM 1199 CG ASN A 74 3.754 -3.992 8.684 1.00 32.34 C ATOM 1200 OD1 ASN A 74 4.395 -5.099 9.029 1.00 2.25 O flip ATOM 1201 ND2 ASN A 74 3.273 -3.249 9.537 1.00 23.22 N flip ATOM 0 H ASN A 74 5.937 -2.851 7.481 1.00 22.14 H new ATOM 0 HA ASN A 74 4.863 -5.232 6.381 1.00 22.44 H new ATOM 0 HB2 ASN A 74 3.509 -2.582 7.072 1.00 20.13 H new ATOM 0 HB3 ASN A 74 2.685 -4.108 6.816 1.00 20.13 H new ATOM 0 HD21 ASN A 74 2.782 -2.400 9.256 1.00 23.22 H new ATOM 0 HD22 ASN A 74 3.365 -3.481 10.526 1.00 23.22 H new ATOM 1208 N GLU A 75 4.797 -2.524 4.476 1.00 71.53 N ATOM 1209 CA GLU A 75 4.582 -1.971 3.121 1.00 62.15 C ATOM 1210 C GLU A 75 5.634 -2.500 2.129 1.00 63.22 C ATOM 1211 O GLU A 75 5.372 -2.602 0.926 1.00 62.32 O ATOM 1212 CB GLU A 75 4.582 -0.431 3.225 1.00 53.10 C ATOM 1213 CG GLU A 75 4.322 0.360 1.942 1.00 12.12 C ATOM 1214 CD GLU A 75 4.055 1.851 2.229 1.00 31.33 C ATOM 1215 OE1 GLU A 75 2.897 2.302 2.101 1.00 74.21 O ATOM 1216 OE2 GLU A 75 4.989 2.569 2.636 1.00 71.43 O ATOM 0 H GLU A 75 5.184 -1.844 5.130 1.00 71.53 H new ATOM 0 HA GLU A 75 3.619 -2.297 2.727 1.00 62.15 H new ATOM 0 HB2 GLU A 75 3.828 -0.143 3.957 1.00 53.10 H new ATOM 0 HB3 GLU A 75 5.548 -0.120 3.623 1.00 53.10 H new ATOM 0 HG2 GLU A 75 5.181 0.267 1.278 1.00 12.12 H new ATOM 0 HG3 GLU A 75 3.467 -0.068 1.419 1.00 12.12 H new ATOM 1223 N GLN A 76 6.813 -2.862 2.656 1.00 44.12 N ATOM 1224 CA GLN A 76 7.874 -3.556 1.895 1.00 63.10 C ATOM 1225 C GLN A 76 7.413 -4.982 1.548 1.00 21.32 C ATOM 1226 O GLN A 76 7.616 -5.466 0.426 1.00 25.11 O ATOM 1227 CB GLN A 76 9.174 -3.595 2.730 1.00 70.15 C ATOM 1228 CG GLN A 76 10.362 -4.322 2.077 1.00 30.31 C ATOM 1229 CD GLN A 76 11.589 -4.444 2.990 1.00 72.14 C ATOM 1230 OE1 GLN A 76 11.377 -4.599 4.297 1.00 1.22 O flip ATOM 1231 NE2 GLN A 76 12.715 -4.430 2.514 1.00 0.05 N flip ATOM 0 H GLN A 76 7.063 -2.682 3.628 1.00 44.12 H new ATOM 0 HA GLN A 76 8.071 -3.017 0.969 1.00 63.10 H new ATOM 0 HB2 GLN A 76 9.474 -2.570 2.950 1.00 70.15 H new ATOM 0 HB3 GLN A 76 8.957 -4.075 3.684 1.00 70.15 H new ATOM 0 HG2 GLN A 76 10.044 -5.320 1.775 1.00 30.31 H new ATOM 0 HG3 GLN A 76 10.647 -3.790 1.169 1.00 30.31 H new ATOM 0 HE21 GLN A 76 12.842 -4.309 1.509 1.00 0.05 H new ATOM 0 HE22 GLN A 76 13.527 -4.539 3.122 1.00 0.05 H new ATOM 1240 N LEU A 77 6.774 -5.636 2.527 1.00 3.51 N ATOM 1241 CA LEU A 77 6.207 -6.980 2.348 1.00 34.34 C ATOM 1242 C LEU A 77 4.996 -6.932 1.403 1.00 62.11 C ATOM 1243 O LEU A 77 4.770 -7.881 0.667 1.00 23.31 O ATOM 1244 CB LEU A 77 5.835 -7.605 3.715 1.00 0.42 C ATOM 1245 CG LEU A 77 7.022 -7.861 4.700 1.00 2.31 C ATOM 1246 CD1 LEU A 77 6.523 -8.487 6.019 1.00 31.43 C ATOM 1247 CD2 LEU A 77 8.127 -8.725 4.047 1.00 22.32 C ATOM 0 H LEU A 77 6.636 -5.251 3.461 1.00 3.51 H new ATOM 0 HA LEU A 77 6.963 -7.618 1.890 1.00 34.34 H new ATOM 0 HB2 LEU A 77 5.116 -6.950 4.207 1.00 0.42 H new ATOM 0 HB3 LEU A 77 5.330 -8.554 3.533 1.00 0.42 H new ATOM 0 HG LEU A 77 7.467 -6.895 4.938 1.00 2.31 H new ATOM 0 HD11 LEU A 77 7.369 -8.654 6.685 1.00 31.43 H new ATOM 0 HD12 LEU A 77 5.813 -7.812 6.497 1.00 31.43 H new ATOM 0 HD13 LEU A 77 6.034 -9.438 5.808 1.00 31.43 H new ATOM 0 HD21 LEU A 77 8.935 -8.882 4.761 1.00 22.32 H new ATOM 0 HD22 LEU A 77 7.710 -9.688 3.753 1.00 22.32 H new ATOM 0 HD23 LEU A 77 8.515 -8.214 3.166 1.00 22.32 H new ATOM 1259 N LEU A 78 4.243 -5.809 1.419 1.00 30.14 N ATOM 1260 CA LEU A 78 3.160 -5.551 0.442 1.00 74.55 C ATOM 1261 C LEU A 78 3.744 -5.452 -0.968 1.00 1.22 C ATOM 1262 O LEU A 78 3.212 -6.035 -1.892 1.00 13.20 O ATOM 1263 CB LEU A 78 2.395 -4.237 0.759 1.00 20.11 C ATOM 1264 CG LEU A 78 1.565 -4.207 2.073 1.00 62.45 C ATOM 1265 CD1 LEU A 78 1.019 -2.785 2.328 1.00 74.32 C ATOM 1266 CD2 LEU A 78 0.430 -5.259 2.045 1.00 55.54 C ATOM 0 H LEU A 78 4.367 -5.062 2.103 1.00 30.14 H new ATOM 0 HA LEU A 78 2.459 -6.383 0.508 1.00 74.55 H new ATOM 0 HB2 LEU A 78 3.119 -3.423 0.796 1.00 20.11 H new ATOM 0 HB3 LEU A 78 1.722 -4.027 -0.072 1.00 20.11 H new ATOM 0 HG LEU A 78 2.222 -4.470 2.902 1.00 62.45 H new ATOM 0 HD11 LEU A 78 0.440 -2.778 3.251 1.00 74.32 H new ATOM 0 HD12 LEU A 78 1.851 -2.086 2.416 1.00 74.32 H new ATOM 0 HD13 LEU A 78 0.381 -2.486 1.497 1.00 74.32 H new ATOM 0 HD21 LEU A 78 -0.132 -5.213 2.978 1.00 55.54 H new ATOM 0 HD22 LEU A 78 -0.238 -5.052 1.209 1.00 55.54 H new ATOM 0 HD23 LEU A 78 0.859 -6.254 1.929 1.00 55.54 H new ATOM 1278 N LYS A 79 4.854 -4.706 -1.096 1.00 23.21 N ATOM 1279 CA LYS A 79 5.546 -4.496 -2.379 1.00 72.04 C ATOM 1280 C LYS A 79 5.864 -5.850 -3.055 1.00 23.02 C ATOM 1281 O LYS A 79 5.434 -6.094 -4.188 1.00 14.21 O ATOM 1282 CB LYS A 79 6.853 -3.690 -2.149 1.00 24.23 C ATOM 1283 CG LYS A 79 7.642 -3.377 -3.436 1.00 21.11 C ATOM 1284 CD LYS A 79 9.025 -2.756 -3.150 1.00 60.20 C ATOM 1285 CE LYS A 79 9.795 -2.437 -4.440 1.00 23.42 C ATOM 1286 NZ LYS A 79 9.155 -1.341 -5.215 1.00 54.41 N ATOM 0 H LYS A 79 5.298 -4.230 -0.311 1.00 23.21 H new ATOM 0 HA LYS A 79 4.890 -3.929 -3.040 1.00 72.04 H new ATOM 0 HB2 LYS A 79 6.605 -2.752 -1.652 1.00 24.23 H new ATOM 0 HB3 LYS A 79 7.496 -4.250 -1.470 1.00 24.23 H new ATOM 0 HG2 LYS A 79 7.772 -4.295 -4.010 1.00 21.11 H new ATOM 0 HG3 LYS A 79 7.062 -2.693 -4.056 1.00 21.11 H new ATOM 0 HD2 LYS A 79 8.898 -1.842 -2.569 1.00 60.20 H new ATOM 0 HD3 LYS A 79 9.611 -3.443 -2.540 1.00 60.20 H new ATOM 0 HE2 LYS A 79 10.818 -2.155 -4.191 1.00 23.42 H new ATOM 0 HE3 LYS A 79 9.853 -3.333 -5.059 1.00 23.42 H new ATOM 0 HZ1 LYS A 79 9.742 -1.112 -6.042 1.00 54.41 H new ATOM 0 HZ2 LYS A 79 8.213 -1.645 -5.533 1.00 54.41 H new ATOM 0 HZ3 LYS A 79 9.062 -0.498 -4.612 1.00 54.41 H new ATOM 1300 N GLY A 80 6.557 -6.734 -2.306 1.00 41.13 N ATOM 1301 CA GLY A 80 6.959 -8.050 -2.817 1.00 31.11 C ATOM 1302 C GLY A 80 5.791 -9.014 -3.041 1.00 63.54 C ATOM 1303 O GLY A 80 5.711 -9.667 -4.093 1.00 34.21 O ATOM 0 H GLY A 80 6.847 -6.554 -1.345 1.00 41.13 H new ATOM 0 HA2 GLY A 80 7.492 -7.916 -3.759 1.00 31.11 H new ATOM 0 HA3 GLY A 80 7.660 -8.502 -2.116 1.00 31.11 H new ATOM 1307 N LEU A 81 4.880 -9.087 -2.053 1.00 73.22 N ATOM 1308 CA LEU A 81 3.723 -10.013 -2.066 1.00 64.32 C ATOM 1309 C LEU A 81 2.797 -9.673 -3.243 1.00 33.52 C ATOM 1310 O LEU A 81 2.513 -10.534 -4.088 1.00 3.33 O ATOM 1311 CB LEU A 81 2.988 -9.935 -0.689 1.00 31.11 C ATOM 1312 CG LEU A 81 1.924 -11.041 -0.329 1.00 62.14 C ATOM 1313 CD1 LEU A 81 1.646 -11.030 1.189 1.00 35.40 C ATOM 1314 CD2 LEU A 81 0.589 -10.876 -1.100 1.00 20.04 C ATOM 0 H LEU A 81 4.923 -8.504 -1.217 1.00 73.22 H new ATOM 0 HA LEU A 81 4.058 -11.040 -2.208 1.00 64.32 H new ATOM 0 HB2 LEU A 81 3.749 -9.943 0.091 1.00 31.11 H new ATOM 0 HB3 LEU A 81 2.488 -8.968 -0.637 1.00 31.11 H new ATOM 0 HG LEU A 81 2.353 -11.996 -0.631 1.00 62.14 H new ATOM 0 HD11 LEU A 81 0.910 -11.797 1.430 1.00 35.40 H new ATOM 0 HD12 LEU A 81 2.571 -11.232 1.730 1.00 35.40 H new ATOM 0 HD13 LEU A 81 1.261 -10.053 1.481 1.00 35.40 H new ATOM 0 HD21 LEU A 81 -0.100 -11.668 -0.807 1.00 20.04 H new ATOM 0 HD22 LEU A 81 0.150 -9.907 -0.864 1.00 20.04 H new ATOM 0 HD23 LEU A 81 0.778 -10.937 -2.172 1.00 20.04 H new ATOM 1326 N LEU A 82 2.354 -8.402 -3.295 1.00 14.20 N ATOM 1327 CA LEU A 82 1.447 -7.909 -4.345 1.00 54.33 C ATOM 1328 C LEU A 82 2.116 -7.979 -5.730 1.00 25.03 C ATOM 1329 O LEU A 82 1.424 -8.178 -6.711 1.00 15.10 O ATOM 1330 CB LEU A 82 0.957 -6.459 -4.051 1.00 43.41 C ATOM 1331 CG LEU A 82 0.212 -6.234 -2.692 1.00 64.33 C ATOM 1332 CD1 LEU A 82 -0.238 -4.761 -2.537 1.00 31.31 C ATOM 1333 CD2 LEU A 82 -0.970 -7.207 -2.523 1.00 4.40 C ATOM 0 H LEU A 82 2.615 -7.691 -2.611 1.00 14.20 H new ATOM 0 HA LEU A 82 0.574 -8.562 -4.348 1.00 54.33 H new ATOM 0 HB2 LEU A 82 1.821 -5.795 -4.080 1.00 43.41 H new ATOM 0 HB3 LEU A 82 0.292 -6.153 -4.859 1.00 43.41 H new ATOM 0 HG LEU A 82 0.920 -6.448 -1.892 1.00 64.33 H new ATOM 0 HD11 LEU A 82 -0.752 -4.636 -1.584 1.00 31.31 H new ATOM 0 HD12 LEU A 82 0.635 -4.109 -2.567 1.00 31.31 H new ATOM 0 HD13 LEU A 82 -0.914 -4.500 -3.351 1.00 31.31 H new ATOM 0 HD21 LEU A 82 -1.462 -7.020 -1.568 1.00 4.40 H new ATOM 0 HD22 LEU A 82 -1.683 -7.058 -3.334 1.00 4.40 H new ATOM 0 HD23 LEU A 82 -0.603 -8.233 -2.547 1.00 4.40 H new ATOM 1345 N GLN A 83 3.462 -7.813 -5.797 1.00 33.30 N ATOM 1346 CA GLN A 83 4.230 -7.955 -7.071 1.00 40.32 C ATOM 1347 C GLN A 83 4.043 -9.354 -7.671 1.00 3.10 C ATOM 1348 O GLN A 83 3.783 -9.496 -8.878 1.00 63.22 O ATOM 1349 CB GLN A 83 5.739 -7.676 -6.843 1.00 33.13 C ATOM 1350 CG GLN A 83 6.629 -7.809 -8.100 1.00 61.24 C ATOM 1351 CD GLN A 83 8.116 -7.535 -7.836 1.00 20.33 C ATOM 1352 OE1 GLN A 83 8.604 -7.892 -6.654 1.00 72.01 O flip ATOM 1353 NE2 GLN A 83 8.825 -7.033 -8.702 1.00 21.21 N flip ATOM 0 H GLN A 83 4.040 -7.581 -4.989 1.00 33.30 H new ATOM 0 HA GLN A 83 3.841 -7.218 -7.774 1.00 40.32 H new ATOM 0 HB2 GLN A 83 5.850 -6.668 -6.444 1.00 33.13 H new ATOM 0 HB3 GLN A 83 6.108 -8.363 -6.081 1.00 33.13 H new ATOM 0 HG2 GLN A 83 6.521 -8.815 -8.506 1.00 61.24 H new ATOM 0 HG3 GLN A 83 6.271 -7.117 -8.862 1.00 61.24 H new ATOM 0 HE21 GLN A 83 8.422 -6.769 -9.601 1.00 21.21 H new ATOM 0 HE22 GLN A 83 9.817 -6.880 -8.523 1.00 21.21 H new ATOM 1362 N GLN A 84 4.156 -10.370 -6.799 1.00 52.03 N ATOM 1363 CA GLN A 84 3.935 -11.776 -7.174 1.00 15.23 C ATOM 1364 C GLN A 84 2.497 -11.977 -7.672 1.00 0.11 C ATOM 1365 O GLN A 84 2.280 -12.542 -8.749 1.00 51.22 O ATOM 1366 CB GLN A 84 4.233 -12.704 -5.975 1.00 64.03 C ATOM 1367 CG GLN A 84 5.692 -12.640 -5.484 1.00 22.33 C ATOM 1368 CD GLN A 84 5.970 -13.432 -4.199 1.00 31.13 C ATOM 1369 OE1 GLN A 84 6.828 -13.057 -3.412 1.00 11.31 O ATOM 1370 NE2 GLN A 84 5.271 -14.540 -3.990 1.00 30.10 N ATOM 0 H GLN A 84 4.402 -10.240 -5.818 1.00 52.03 H new ATOM 0 HA GLN A 84 4.617 -12.033 -7.985 1.00 15.23 H new ATOM 0 HB2 GLN A 84 3.571 -12.440 -5.151 1.00 64.03 H new ATOM 0 HB3 GLN A 84 3.999 -13.731 -6.256 1.00 64.03 H new ATOM 0 HG2 GLN A 84 6.344 -13.014 -6.274 1.00 22.33 H new ATOM 0 HG3 GLN A 84 5.960 -11.597 -5.317 1.00 22.33 H new ATOM 0 HE21 GLN A 84 4.561 -14.830 -4.663 1.00 30.10 H new ATOM 0 HE22 GLN A 84 5.443 -15.102 -3.157 1.00 30.10 H new ATOM 1379 N ARG A 85 1.538 -11.443 -6.896 1.00 32.31 N ATOM 1380 CA ARG A 85 0.098 -11.584 -7.168 1.00 52.23 C ATOM 1381 C ARG A 85 -0.277 -10.963 -8.528 1.00 4.14 C ATOM 1382 O ARG A 85 -0.941 -11.604 -9.328 1.00 13.21 O ATOM 1383 CB ARG A 85 -0.721 -10.944 -6.016 1.00 23.33 C ATOM 1384 CG ARG A 85 -0.442 -11.547 -4.616 1.00 34.11 C ATOM 1385 CD ARG A 85 -1.231 -12.834 -4.290 1.00 23.33 C ATOM 1386 NE ARG A 85 -0.984 -13.972 -5.199 1.00 12.42 N ATOM 1387 CZ ARG A 85 -1.766 -15.077 -5.264 1.00 43.11 C ATOM 1388 NH1 ARG A 85 -2.836 -15.206 -4.476 1.00 51.20 N ATOM 1389 NH2 ARG A 85 -1.454 -16.051 -6.110 1.00 21.31 N ATOM 0 H ARG A 85 1.742 -10.899 -6.058 1.00 32.31 H new ATOM 0 HA ARG A 85 -0.143 -12.646 -7.220 1.00 52.23 H new ATOM 0 HB2 ARG A 85 -0.508 -9.875 -5.986 1.00 23.33 H new ATOM 0 HB3 ARG A 85 -1.783 -11.051 -6.239 1.00 23.33 H new ATOM 0 HG2 ARG A 85 0.624 -11.762 -4.536 1.00 34.11 H new ATOM 0 HG3 ARG A 85 -0.674 -10.796 -3.861 1.00 34.11 H new ATOM 0 HD2 ARG A 85 -0.987 -13.143 -3.273 1.00 23.33 H new ATOM 0 HD3 ARG A 85 -2.296 -12.602 -4.306 1.00 23.33 H new ATOM 0 HE ARG A 85 -0.174 -13.923 -5.817 1.00 12.42 H new ATOM 0 HH11 ARG A 85 -3.074 -14.467 -3.814 1.00 51.20 H new ATOM 0 HH12 ARG A 85 -3.415 -16.043 -4.536 1.00 51.20 H new ATOM 0 HH21 ARG A 85 -0.630 -15.965 -6.706 1.00 21.31 H new ATOM 0 HH22 ARG A 85 -2.038 -16.886 -6.164 1.00 21.31 H new ATOM 1403 N LEU A 86 0.214 -9.731 -8.781 1.00 2.41 N ATOM 1404 CA LEU A 86 -0.060 -8.965 -10.024 1.00 73.24 C ATOM 1405 C LEU A 86 0.527 -9.662 -11.259 1.00 72.23 C ATOM 1406 O LEU A 86 -0.071 -9.627 -12.335 1.00 64.12 O ATOM 1407 CB LEU A 86 0.503 -7.516 -9.922 1.00 65.13 C ATOM 1408 CG LEU A 86 -0.189 -6.581 -8.883 1.00 62.24 C ATOM 1409 CD1 LEU A 86 0.401 -5.154 -8.928 1.00 13.15 C ATOM 1410 CD2 LEU A 86 -1.713 -6.565 -9.085 1.00 33.55 C ATOM 0 H LEU A 86 0.817 -9.233 -8.126 1.00 2.41 H new ATOM 0 HA LEU A 86 -1.143 -8.919 -10.138 1.00 73.24 H new ATOM 0 HB2 LEU A 86 1.563 -7.577 -9.676 1.00 65.13 H new ATOM 0 HB3 LEU A 86 0.430 -7.050 -10.905 1.00 65.13 H new ATOM 0 HG LEU A 86 0.010 -6.983 -7.890 1.00 62.24 H new ATOM 0 HD11 LEU A 86 -0.103 -4.528 -8.192 1.00 13.15 H new ATOM 0 HD12 LEU A 86 1.466 -5.194 -8.702 1.00 13.15 H new ATOM 0 HD13 LEU A 86 0.257 -4.732 -9.923 1.00 13.15 H new ATOM 0 HD21 LEU A 86 -2.171 -5.906 -8.348 1.00 33.55 H new ATOM 0 HD22 LEU A 86 -1.943 -6.204 -10.087 1.00 33.55 H new ATOM 0 HD23 LEU A 86 -2.107 -7.574 -8.963 1.00 33.55 H new ATOM 1422 N ASP A 87 1.706 -10.280 -11.076 1.00 15.32 N ATOM 1423 CA ASP A 87 2.387 -11.066 -12.127 1.00 52.31 C ATOM 1424 C ASP A 87 1.521 -12.268 -12.549 1.00 30.43 C ATOM 1425 O ASP A 87 1.371 -12.548 -13.742 1.00 42.42 O ATOM 1426 CB ASP A 87 3.776 -11.539 -11.615 1.00 22.44 C ATOM 1427 CG ASP A 87 4.503 -12.490 -12.588 1.00 64.55 C ATOM 1428 OD1 ASP A 87 4.999 -12.022 -13.635 1.00 63.44 O ATOM 1429 OD2 ASP A 87 4.578 -13.705 -12.309 1.00 73.42 O ATOM 0 H ASP A 87 2.217 -10.250 -10.194 1.00 15.32 H new ATOM 0 HA ASP A 87 2.534 -10.434 -13.003 1.00 52.31 H new ATOM 0 HB2 ASP A 87 4.404 -10.666 -11.436 1.00 22.44 H new ATOM 0 HB3 ASP A 87 3.648 -12.042 -10.656 1.00 22.44 H new ATOM 1434 N GLU A 88 0.945 -12.945 -11.545 1.00 10.13 N ATOM 1435 CA GLU A 88 0.083 -14.127 -11.743 1.00 10.32 C ATOM 1436 C GLU A 88 -1.256 -13.728 -12.393 1.00 24.13 C ATOM 1437 O GLU A 88 -1.738 -14.423 -13.297 1.00 44.32 O ATOM 1438 CB GLU A 88 -0.137 -14.829 -10.383 1.00 64.44 C ATOM 1439 CG GLU A 88 1.169 -15.368 -9.752 1.00 32.13 C ATOM 1440 CD GLU A 88 1.005 -15.780 -8.285 1.00 33.44 C ATOM 1441 OE1 GLU A 88 0.958 -16.988 -7.976 1.00 0.43 O ATOM 1442 OE2 GLU A 88 0.894 -14.887 -7.424 1.00 53.13 O ATOM 0 H GLU A 88 1.063 -12.689 -10.565 1.00 10.13 H new ATOM 0 HA GLU A 88 0.574 -14.823 -12.423 1.00 10.32 H new ATOM 0 HB2 GLU A 88 -0.603 -14.127 -9.691 1.00 64.44 H new ATOM 0 HB3 GLU A 88 -0.835 -15.655 -10.518 1.00 64.44 H new ATOM 0 HG2 GLU A 88 1.516 -16.227 -10.327 1.00 32.13 H new ATOM 0 HG3 GLU A 88 1.942 -14.603 -9.824 1.00 32.13 H new ATOM 1449 N LEU A 89 -1.829 -12.583 -11.945 1.00 62.32 N ATOM 1450 CA LEU A 89 -3.083 -12.034 -12.502 1.00 21.14 C ATOM 1451 C LEU A 89 -2.892 -11.709 -13.993 1.00 14.21 C ATOM 1452 O LEU A 89 -3.643 -12.190 -14.830 1.00 52.34 O ATOM 1453 CB LEU A 89 -3.547 -10.761 -11.727 1.00 71.21 C ATOM 1454 CG LEU A 89 -3.879 -10.948 -10.210 1.00 31.33 C ATOM 1455 CD1 LEU A 89 -4.284 -9.605 -9.565 1.00 33.15 C ATOM 1456 CD2 LEU A 89 -4.958 -12.029 -9.984 1.00 33.20 C ATOM 0 H LEU A 89 -1.435 -12.020 -11.192 1.00 62.32 H new ATOM 0 HA LEU A 89 -3.861 -12.789 -12.391 1.00 21.14 H new ATOM 0 HB2 LEU A 89 -2.766 -10.005 -11.814 1.00 71.21 H new ATOM 0 HB3 LEU A 89 -4.432 -10.364 -12.223 1.00 71.21 H new ATOM 0 HG LEU A 89 -2.972 -11.299 -9.718 1.00 31.33 H new ATOM 0 HD11 LEU A 89 -4.510 -9.761 -8.510 1.00 33.15 H new ATOM 0 HD12 LEU A 89 -3.463 -8.894 -9.659 1.00 33.15 H new ATOM 0 HD13 LEU A 89 -5.165 -9.210 -10.070 1.00 33.15 H new ATOM 0 HD21 LEU A 89 -5.158 -12.126 -8.917 1.00 33.20 H new ATOM 0 HD22 LEU A 89 -5.874 -11.742 -10.500 1.00 33.20 H new ATOM 0 HD23 LEU A 89 -4.605 -12.983 -10.375 1.00 33.20 H new ATOM 1468 N SER A 90 -1.828 -10.944 -14.289 1.00 40.31 N ATOM 1469 CA SER A 90 -1.467 -10.492 -15.651 1.00 33.51 C ATOM 1470 C SER A 90 -1.174 -11.677 -16.588 1.00 23.34 C ATOM 1471 O SER A 90 -1.453 -11.612 -17.789 1.00 74.12 O ATOM 1472 CB SER A 90 -0.233 -9.568 -15.576 1.00 62.43 C ATOM 1473 OG SER A 90 0.142 -9.079 -16.855 1.00 71.21 O ATOM 0 H SER A 90 -1.178 -10.613 -13.576 1.00 40.31 H new ATOM 0 HA SER A 90 -2.318 -9.948 -16.062 1.00 33.51 H new ATOM 0 HB2 SER A 90 -0.448 -8.728 -14.915 1.00 62.43 H new ATOM 0 HB3 SER A 90 0.602 -10.113 -15.137 1.00 62.43 H new ATOM 0 HG SER A 90 0.925 -8.497 -16.766 1.00 71.21 H new ATOM 1479 N SER A 91 -0.592 -12.741 -16.012 1.00 20.22 N ATOM 1480 CA SER A 91 -0.301 -13.993 -16.727 1.00 64.03 C ATOM 1481 C SER A 91 -1.607 -14.645 -17.224 1.00 74.43 C ATOM 1482 O SER A 91 -1.712 -15.039 -18.391 1.00 24.44 O ATOM 1483 CB SER A 91 0.470 -14.947 -15.791 1.00 74.42 C ATOM 1484 OG SER A 91 0.808 -16.163 -16.428 1.00 10.23 O ATOM 0 H SER A 91 -0.309 -12.756 -15.032 1.00 20.22 H new ATOM 0 HA SER A 91 0.316 -13.778 -17.599 1.00 64.03 H new ATOM 0 HB2 SER A 91 1.379 -14.456 -15.443 1.00 74.42 H new ATOM 0 HB3 SER A 91 -0.136 -15.157 -14.910 1.00 74.42 H new ATOM 0 HG SER A 91 1.296 -16.736 -15.801 1.00 10.23 H new ATOM 1490 N LEU A 92 -2.602 -14.717 -16.326 1.00 64.14 N ATOM 1491 CA LEU A 92 -3.924 -15.305 -16.625 1.00 75.34 C ATOM 1492 C LEU A 92 -4.741 -14.414 -17.593 1.00 42.13 C ATOM 1493 O LEU A 92 -5.402 -14.931 -18.502 1.00 44.44 O ATOM 1494 CB LEU A 92 -4.696 -15.556 -15.300 1.00 14.40 C ATOM 1495 CG LEU A 92 -3.988 -16.519 -14.286 1.00 54.31 C ATOM 1496 CD1 LEU A 92 -4.742 -16.569 -12.941 1.00 11.10 C ATOM 1497 CD2 LEU A 92 -3.802 -17.935 -14.885 1.00 64.41 C ATOM 0 H LEU A 92 -2.516 -14.370 -15.371 1.00 64.14 H new ATOM 0 HA LEU A 92 -3.772 -16.259 -17.130 1.00 75.34 H new ATOM 0 HB2 LEU A 92 -4.864 -14.597 -14.809 1.00 14.40 H new ATOM 0 HB3 LEU A 92 -5.676 -15.966 -15.542 1.00 14.40 H new ATOM 0 HG LEU A 92 -2.994 -16.116 -14.090 1.00 54.31 H new ATOM 0 HD11 LEU A 92 -4.226 -17.245 -12.260 1.00 11.10 H new ATOM 0 HD12 LEU A 92 -4.775 -15.570 -12.505 1.00 11.10 H new ATOM 0 HD13 LEU A 92 -5.758 -16.927 -13.107 1.00 11.10 H new ATOM 0 HD21 LEU A 92 -3.308 -18.577 -14.155 1.00 64.41 H new ATOM 0 HD22 LEU A 92 -4.776 -18.354 -15.137 1.00 64.41 H new ATOM 0 HD23 LEU A 92 -3.191 -17.872 -15.785 1.00 64.41 H new ATOM 1509 N ILE A 93 -4.664 -13.077 -17.385 1.00 33.25 N ATOM 1510 CA ILE A 93 -5.320 -12.070 -18.251 1.00 33.35 C ATOM 1511 C ILE A 93 -4.785 -12.184 -19.682 1.00 43.00 C ATOM 1512 O ILE A 93 -5.556 -12.186 -20.631 1.00 53.31 O ATOM 1513 CB ILE A 93 -5.092 -10.593 -17.726 1.00 70.33 C ATOM 1514 CG1 ILE A 93 -5.739 -10.391 -16.321 1.00 71.25 C ATOM 1515 CG2 ILE A 93 -5.632 -9.536 -18.731 1.00 43.21 C ATOM 1516 CD1 ILE A 93 -5.430 -9.047 -15.683 1.00 11.11 C ATOM 0 H ILE A 93 -4.144 -12.667 -16.610 1.00 33.25 H new ATOM 0 HA ILE A 93 -6.391 -12.274 -18.230 1.00 33.35 H new ATOM 0 HB ILE A 93 -4.016 -10.446 -17.635 1.00 70.33 H new ATOM 0 HG12 ILE A 93 -6.820 -10.498 -16.412 1.00 71.25 H new ATOM 0 HG13 ILE A 93 -5.395 -11.184 -15.657 1.00 71.25 H new ATOM 0 HG21 ILE A 93 -5.457 -8.535 -18.336 1.00 43.21 H new ATOM 0 HG22 ILE A 93 -5.116 -9.644 -19.685 1.00 43.21 H new ATOM 0 HG23 ILE A 93 -6.702 -9.687 -18.878 1.00 43.21 H new ATOM 0 HD11 ILE A 93 -5.916 -8.986 -14.709 1.00 11.11 H new ATOM 0 HD12 ILE A 93 -4.352 -8.943 -15.557 1.00 11.11 H new ATOM 0 HD13 ILE A 93 -5.799 -8.246 -16.324 1.00 11.11 H new ATOM 1528 N GLY A 94 -3.453 -12.317 -19.802 1.00 73.22 N ATOM 1529 CA GLY A 94 -2.782 -12.389 -21.101 1.00 14.23 C ATOM 1530 C GLY A 94 -3.226 -13.576 -21.952 1.00 31.41 C ATOM 1531 O GLY A 94 -3.189 -13.512 -23.183 1.00 75.25 O ATOM 0 H GLY A 94 -2.820 -12.377 -19.005 1.00 73.22 H new ATOM 0 HA2 GLY A 94 -2.972 -11.467 -21.651 1.00 14.23 H new ATOM 0 HA3 GLY A 94 -1.705 -12.449 -20.942 1.00 14.23 H new ATOM 1535 N GLN A 95 -3.662 -14.656 -21.283 1.00 33.43 N ATOM 1536 CA GLN A 95 -4.158 -15.866 -21.953 1.00 2.11 C ATOM 1537 C GLN A 95 -5.624 -15.685 -22.402 1.00 2.44 C ATOM 1538 O GLN A 95 -5.952 -15.903 -23.572 1.00 14.21 O ATOM 1539 CB GLN A 95 -4.022 -17.096 -21.009 1.00 75.35 C ATOM 1540 CG GLN A 95 -2.586 -17.369 -20.507 1.00 4.52 C ATOM 1541 CD GLN A 95 -1.546 -17.526 -21.629 1.00 4.11 C ATOM 1542 OE1 GLN A 95 -0.907 -16.557 -22.040 1.00 34.31 O ATOM 1543 NE2 GLN A 95 -1.374 -18.739 -22.132 1.00 14.01 N ATOM 0 H GLN A 95 -3.680 -14.713 -20.265 1.00 33.43 H new ATOM 0 HA GLN A 95 -3.553 -16.040 -22.843 1.00 2.11 H new ATOM 0 HB2 GLN A 95 -4.672 -16.949 -20.146 1.00 75.35 H new ATOM 0 HB3 GLN A 95 -4.384 -17.981 -21.533 1.00 75.35 H new ATOM 0 HG2 GLN A 95 -2.280 -16.551 -19.854 1.00 4.52 H new ATOM 0 HG3 GLN A 95 -2.591 -18.275 -19.902 1.00 4.52 H new ATOM 0 HE21 GLN A 95 -1.918 -19.523 -21.771 1.00 14.01 H new ATOM 0 HE22 GLN A 95 -0.697 -18.890 -22.880 1.00 14.01 H new ATOM 1552 N VAL A 96 -6.492 -15.264 -21.462 1.00 70.32 N ATOM 1553 CA VAL A 96 -7.958 -15.227 -21.681 1.00 21.13 C ATOM 1554 C VAL A 96 -8.414 -14.005 -22.514 1.00 52.33 C ATOM 1555 O VAL A 96 -9.420 -14.080 -23.225 1.00 73.14 O ATOM 1556 CB VAL A 96 -8.747 -15.281 -20.316 1.00 44.02 C ATOM 1557 CG1 VAL A 96 -8.446 -16.594 -19.557 1.00 70.22 C ATOM 1558 CG2 VAL A 96 -8.452 -14.044 -19.434 1.00 40.55 C ATOM 0 H VAL A 96 -6.205 -14.942 -20.538 1.00 70.32 H new ATOM 0 HA VAL A 96 -8.195 -16.119 -22.261 1.00 21.13 H new ATOM 0 HB VAL A 96 -9.811 -15.262 -20.551 1.00 44.02 H new ATOM 0 HG11 VAL A 96 -9.001 -16.608 -18.619 1.00 70.22 H new ATOM 0 HG12 VAL A 96 -8.746 -17.445 -20.169 1.00 70.22 H new ATOM 0 HG13 VAL A 96 -7.378 -16.656 -19.347 1.00 70.22 H new ATOM 0 HG21 VAL A 96 -9.014 -14.119 -18.503 1.00 40.55 H new ATOM 0 HG22 VAL A 96 -7.386 -14.002 -19.212 1.00 40.55 H new ATOM 0 HG23 VAL A 96 -8.748 -13.139 -19.965 1.00 40.55 H new ATOM 1568 N LEU A 97 -7.669 -12.896 -22.426 1.00 65.54 N ATOM 1569 CA LEU A 97 -7.995 -11.647 -23.141 1.00 62.45 C ATOM 1570 C LEU A 97 -7.379 -11.739 -24.548 1.00 52.14 C ATOM 1571 O LEU A 97 -6.157 -11.854 -24.686 1.00 44.15 O ATOM 1572 CB LEU A 97 -7.453 -10.405 -22.346 1.00 52.53 C ATOM 1573 CG LEU A 97 -8.072 -8.982 -22.660 1.00 71.11 C ATOM 1574 CD1 LEU A 97 -7.554 -7.924 -21.654 1.00 51.44 C ATOM 1575 CD2 LEU A 97 -7.805 -8.504 -24.110 1.00 63.22 C ATOM 0 H LEU A 97 -6.823 -12.835 -21.859 1.00 65.54 H new ATOM 0 HA LEU A 97 -9.074 -11.518 -23.226 1.00 62.45 H new ATOM 0 HB2 LEU A 97 -7.596 -10.602 -21.284 1.00 52.53 H new ATOM 0 HB3 LEU A 97 -6.378 -10.345 -22.517 1.00 52.53 H new ATOM 0 HG LEU A 97 -9.151 -9.093 -22.554 1.00 71.11 H new ATOM 0 HD11 LEU A 97 -7.992 -6.954 -21.888 1.00 51.44 H new ATOM 0 HD12 LEU A 97 -7.837 -8.215 -20.642 1.00 51.44 H new ATOM 0 HD13 LEU A 97 -6.468 -7.858 -21.722 1.00 51.44 H new ATOM 0 HD21 LEU A 97 -8.256 -7.523 -24.258 1.00 63.22 H new ATOM 0 HD22 LEU A 97 -6.730 -8.439 -24.280 1.00 63.22 H new ATOM 0 HD23 LEU A 97 -8.241 -9.214 -24.813 1.00 63.22 H new ATOM 1587 N PHE A 98 -8.241 -11.682 -25.574 1.00 44.22 N ATOM 1588 CA PHE A 98 -7.830 -11.688 -26.986 1.00 53.32 C ATOM 1589 C PHE A 98 -7.779 -10.235 -27.488 1.00 55.10 C ATOM 1590 O PHE A 98 -8.819 -9.633 -27.755 1.00 54.23 O ATOM 1591 CB PHE A 98 -8.820 -12.539 -27.830 1.00 63.01 C ATOM 1592 CG PHE A 98 -9.010 -13.959 -27.293 1.00 65.12 C ATOM 1593 CD1 PHE A 98 -8.054 -14.946 -27.529 1.00 4.32 C ATOM 1594 CD2 PHE A 98 -10.146 -14.303 -26.553 1.00 42.12 C ATOM 1595 CE1 PHE A 98 -8.218 -16.225 -27.030 1.00 52.32 C ATOM 1596 CE2 PHE A 98 -10.310 -15.582 -26.056 1.00 65.43 C ATOM 1597 CZ PHE A 98 -9.349 -16.544 -26.302 1.00 73.42 C ATOM 0 H PHE A 98 -9.252 -11.630 -25.446 1.00 44.22 H new ATOM 0 HA PHE A 98 -6.842 -12.137 -27.088 1.00 53.32 H new ATOM 0 HB2 PHE A 98 -9.787 -12.037 -27.858 1.00 63.01 H new ATOM 0 HB3 PHE A 98 -8.458 -12.592 -28.857 1.00 63.01 H new ATOM 0 HD1 PHE A 98 -7.174 -14.709 -28.109 1.00 4.32 H new ATOM 0 HD2 PHE A 98 -10.906 -13.558 -26.367 1.00 42.12 H new ATOM 0 HE1 PHE A 98 -7.462 -16.975 -27.209 1.00 52.32 H new ATOM 0 HE2 PHE A 98 -11.187 -15.829 -25.477 1.00 65.43 H new ATOM 0 HZ PHE A 98 -9.482 -17.547 -25.925 1.00 73.42 H new ATOM 1607 N GLN A 99 -6.565 -9.665 -27.543 1.00 64.42 N ATOM 1608 CA GLN A 99 -6.331 -8.280 -28.014 1.00 0.44 C ATOM 1609 C GLN A 99 -5.751 -8.267 -29.444 1.00 32.13 C ATOM 1610 O GLN A 99 -5.277 -7.223 -29.918 1.00 52.01 O ATOM 1611 CB GLN A 99 -5.424 -7.511 -26.991 1.00 75.04 C ATOM 1612 CG GLN A 99 -4.130 -8.237 -26.534 1.00 14.22 C ATOM 1613 CD GLN A 99 -2.981 -8.260 -27.551 1.00 54.22 C ATOM 1614 OE1 GLN A 99 -2.829 -7.194 -28.335 1.00 21.32 O flip ATOM 1615 NE2 GLN A 99 -2.213 -9.211 -27.605 1.00 42.04 N flip ATOM 0 H GLN A 99 -5.712 -10.149 -27.262 1.00 64.42 H new ATOM 0 HA GLN A 99 -7.286 -7.757 -28.066 1.00 0.44 H new ATOM 0 HB2 GLN A 99 -5.142 -6.557 -27.435 1.00 75.04 H new ATOM 0 HB3 GLN A 99 -6.021 -7.287 -26.107 1.00 75.04 H new ATOM 0 HG2 GLN A 99 -3.772 -7.761 -25.621 1.00 14.22 H new ATOM 0 HG3 GLN A 99 -4.384 -9.266 -26.278 1.00 14.22 H new ATOM 0 HE21 GLN A 99 -2.353 -10.015 -26.993 1.00 42.04 H new ATOM 0 HE22 GLN A 99 -1.433 -9.200 -28.262 1.00 42.04 H new ATOM 1624 N GLY A 100 -5.829 -9.421 -30.133 1.00 32.01 N ATOM 1625 CA GLY A 100 -5.334 -9.549 -31.501 1.00 75.24 C ATOM 1626 C GLY A 100 -5.053 -11.002 -31.872 1.00 64.33 C ATOM 1627 O GLY A 100 -5.730 -11.548 -32.752 1.00 74.20 O ATOM 0 H GLY A 100 -6.234 -10.278 -29.755 1.00 32.01 H new ATOM 0 HA2 GLY A 100 -6.067 -9.133 -32.192 1.00 75.24 H new ATOM 0 HA3 GLY A 100 -4.422 -8.963 -31.613 1.00 75.24 H new ATOM 1631 N PRO A 101 -4.037 -11.668 -31.226 1.00 52.52 N ATOM 1632 CA PRO A 101 -3.751 -13.102 -31.456 1.00 71.02 C ATOM 1633 C PRO A 101 -4.911 -13.994 -30.955 1.00 42.42 C ATOM 1634 O PRO A 101 -5.458 -13.745 -29.865 1.00 54.44 O ATOM 1635 CB PRO A 101 -2.437 -13.351 -30.662 1.00 45.24 C ATOM 1636 CG PRO A 101 -2.391 -12.272 -29.626 1.00 44.10 C ATOM 1637 CD PRO A 101 -3.082 -11.073 -30.245 1.00 51.41 C ATOM 0 HA PRO A 101 -3.646 -13.350 -32.512 1.00 71.02 H new ATOM 0 HB2 PRO A 101 -2.437 -14.339 -30.201 1.00 45.24 H new ATOM 0 HB3 PRO A 101 -1.567 -13.305 -31.317 1.00 45.24 H new ATOM 0 HG2 PRO A 101 -2.896 -12.586 -28.713 1.00 44.10 H new ATOM 0 HG3 PRO A 101 -1.362 -12.034 -29.356 1.00 44.10 H new ATOM 0 HD2 PRO A 101 -3.602 -10.480 -29.492 1.00 51.41 H new ATOM 0 HD3 PRO A 101 -2.368 -10.411 -30.735 1.00 51.41 H new ATOM 1645 N SER A 102 -5.297 -14.982 -31.792 1.00 41.04 N ATOM 1646 CA SER A 102 -6.418 -15.914 -31.526 1.00 14.31 C ATOM 1647 C SER A 102 -7.786 -15.184 -31.470 1.00 24.42 C ATOM 1648 O SER A 102 -8.759 -15.716 -30.921 1.00 13.41 O ATOM 1649 CB SER A 102 -6.153 -16.750 -30.240 1.00 54.24 C ATOM 1650 OG SER A 102 -4.950 -17.487 -30.352 1.00 10.21 O ATOM 0 H SER A 102 -4.833 -15.158 -32.683 1.00 41.04 H new ATOM 0 HA SER A 102 -6.473 -16.606 -32.366 1.00 14.31 H new ATOM 0 HB2 SER A 102 -6.098 -16.087 -29.376 1.00 54.24 H new ATOM 0 HB3 SER A 102 -6.986 -17.431 -30.067 1.00 54.24 H new ATOM 0 HG SER A 102 -4.805 -18.003 -29.531 1.00 10.21 H new ATOM 1656 N ALA A 103 -7.856 -13.976 -32.062 1.00 42.20 N ATOM 1657 CA ALA A 103 -9.103 -13.200 -32.186 1.00 12.12 C ATOM 1658 C ALA A 103 -9.582 -13.239 -33.649 1.00 51.40 C ATOM 1659 O ALA A 103 -8.863 -12.787 -34.547 1.00 41.40 O ATOM 1660 CB ALA A 103 -8.882 -11.758 -31.694 1.00 13.35 C ATOM 0 H ALA A 103 -7.045 -13.510 -32.469 1.00 42.20 H new ATOM 0 HA ALA A 103 -9.880 -13.640 -31.561 1.00 12.12 H new ATOM 0 HB1 ALA A 103 -9.810 -11.194 -31.790 1.00 13.35 H new ATOM 0 HB2 ALA A 103 -8.574 -11.773 -30.649 1.00 13.35 H new ATOM 0 HB3 ALA A 103 -8.105 -11.284 -32.294 1.00 13.35 H new ATOM 1666 N GLY A 104 -10.800 -13.777 -33.867 1.00 75.30 N ATOM 1667 CA GLY A 104 -11.351 -13.966 -35.218 1.00 2.53 C ATOM 1668 C GLY A 104 -11.740 -12.672 -35.925 1.00 44.43 C ATOM 1669 O GLY A 104 -12.035 -12.687 -37.118 1.00 14.32 O ATOM 0 H GLY A 104 -11.420 -14.088 -33.119 1.00 75.30 H new ATOM 0 HA2 GLY A 104 -10.616 -14.492 -35.827 1.00 2.53 H new ATOM 0 HA3 GLY A 104 -12.229 -14.609 -35.153 1.00 2.53 H new ATOM 1673 N LEU A 105 -11.740 -11.557 -35.180 1.00 71.21 N ATOM 1674 CA LEU A 105 -12.065 -10.210 -35.691 1.00 71.13 C ATOM 1675 C LEU A 105 -11.218 -9.158 -34.955 1.00 31.12 C ATOM 1676 O LEU A 105 -10.461 -9.515 -34.044 1.00 74.34 O ATOM 1677 CB LEU A 105 -13.603 -9.949 -35.559 1.00 43.02 C ATOM 1678 CG LEU A 105 -14.302 -10.378 -34.210 1.00 54.12 C ATOM 1679 CD1 LEU A 105 -13.874 -9.513 -33.001 1.00 54.31 C ATOM 1680 CD2 LEU A 105 -15.843 -10.385 -34.366 1.00 73.50 C ATOM 0 H LEU A 105 -11.510 -11.562 -34.186 1.00 71.21 H new ATOM 0 HA LEU A 105 -11.818 -10.138 -36.750 1.00 71.13 H new ATOM 0 HB2 LEU A 105 -13.777 -8.883 -35.704 1.00 43.02 H new ATOM 0 HB3 LEU A 105 -14.104 -10.467 -36.377 1.00 43.02 H new ATOM 0 HG LEU A 105 -13.964 -11.392 -33.997 1.00 54.12 H new ATOM 0 HD11 LEU A 105 -14.390 -9.859 -32.105 1.00 54.31 H new ATOM 0 HD12 LEU A 105 -12.797 -9.598 -32.856 1.00 54.31 H new ATOM 0 HD13 LEU A 105 -14.133 -8.471 -33.189 1.00 54.31 H new ATOM 0 HD21 LEU A 105 -16.303 -10.684 -33.424 1.00 73.50 H new ATOM 0 HD22 LEU A 105 -16.186 -9.386 -34.637 1.00 73.50 H new ATOM 0 HD23 LEU A 105 -16.126 -11.090 -35.148 1.00 73.50 H new ATOM 1692 N VAL A 106 -11.358 -7.873 -35.348 1.00 24.32 N ATOM 1693 CA VAL A 106 -10.693 -6.738 -34.671 1.00 73.30 C ATOM 1694 C VAL A 106 -11.280 -6.561 -33.248 1.00 14.32 C ATOM 1695 O VAL A 106 -12.429 -6.149 -33.110 1.00 44.22 O ATOM 1696 CB VAL A 106 -10.852 -5.398 -35.488 1.00 63.22 C ATOM 1697 CG1 VAL A 106 -10.234 -4.186 -34.741 1.00 62.03 C ATOM 1698 CG2 VAL A 106 -10.250 -5.546 -36.906 1.00 71.33 C ATOM 0 H VAL A 106 -11.934 -7.594 -36.142 1.00 24.32 H new ATOM 0 HA VAL A 106 -9.629 -6.963 -34.606 1.00 73.30 H new ATOM 0 HB VAL A 106 -11.919 -5.201 -35.588 1.00 63.22 H new ATOM 0 HG11 VAL A 106 -10.366 -3.284 -35.339 1.00 62.03 H new ATOM 0 HG12 VAL A 106 -10.731 -4.059 -33.779 1.00 62.03 H new ATOM 0 HG13 VAL A 106 -9.171 -4.362 -34.579 1.00 62.03 H new ATOM 0 HG21 VAL A 106 -10.371 -4.610 -37.452 1.00 71.33 H new ATOM 0 HG22 VAL A 106 -9.190 -5.787 -36.828 1.00 71.33 H new ATOM 0 HG23 VAL A 106 -10.765 -6.346 -37.438 1.00 71.33 H new ATOM 1708 N PRO A 107 -10.509 -6.898 -32.167 1.00 2.31 N ATOM 1709 CA PRO A 107 -10.992 -6.833 -30.773 1.00 52.13 C ATOM 1710 C PRO A 107 -10.582 -5.522 -30.057 1.00 50.41 C ATOM 1711 O PRO A 107 -10.468 -5.495 -28.823 1.00 42.45 O ATOM 1712 CB PRO A 107 -10.289 -8.070 -30.182 1.00 3.00 C ATOM 1713 CG PRO A 107 -8.941 -8.082 -30.846 1.00 61.35 C ATOM 1714 CD PRO A 107 -9.102 -7.383 -32.192 1.00 11.23 C ATOM 0 HA PRO A 107 -12.077 -6.832 -30.671 1.00 52.13 H new ATOM 0 HB2 PRO A 107 -10.198 -7.996 -29.098 1.00 3.00 H new ATOM 0 HB3 PRO A 107 -10.845 -8.983 -30.394 1.00 3.00 H new ATOM 0 HG2 PRO A 107 -8.203 -7.568 -30.230 1.00 61.35 H new ATOM 0 HG3 PRO A 107 -8.587 -9.104 -30.982 1.00 61.35 H new ATOM 0 HD2 PRO A 107 -8.396 -6.560 -32.304 1.00 11.23 H new ATOM 0 HD3 PRO A 107 -8.928 -8.067 -33.023 1.00 11.23 H new ATOM 1722 N ARG A 108 -10.352 -4.449 -30.847 1.00 43.22 N ATOM 1723 CA ARG A 108 -10.070 -3.107 -30.318 1.00 53.15 C ATOM 1724 C ARG A 108 -11.357 -2.541 -29.684 1.00 5.30 C ATOM 1725 O ARG A 108 -12.200 -1.948 -30.365 1.00 71.23 O ATOM 1726 CB ARG A 108 -9.512 -2.182 -31.445 1.00 32.31 C ATOM 1727 CG ARG A 108 -9.160 -0.743 -31.001 1.00 5.11 C ATOM 1728 CD ARG A 108 -8.572 0.104 -32.148 1.00 53.24 C ATOM 1729 NE ARG A 108 -9.478 0.170 -33.311 1.00 43.11 N ATOM 1730 CZ ARG A 108 -9.145 0.617 -34.541 1.00 62.23 C ATOM 1731 NH1 ARG A 108 -7.916 1.049 -34.812 1.00 71.22 N ATOM 1732 NH2 ARG A 108 -10.061 0.616 -35.502 1.00 33.32 N ATOM 0 H ARG A 108 -10.358 -4.495 -31.866 1.00 43.22 H new ATOM 0 HA ARG A 108 -9.301 -3.160 -29.547 1.00 53.15 H new ATOM 0 HB2 ARG A 108 -8.618 -2.645 -31.864 1.00 32.31 H new ATOM 0 HB3 ARG A 108 -10.249 -2.128 -32.247 1.00 32.31 H new ATOM 0 HG2 ARG A 108 -10.056 -0.256 -30.617 1.00 5.11 H new ATOM 0 HG3 ARG A 108 -8.443 -0.785 -30.181 1.00 5.11 H new ATOM 0 HD2 ARG A 108 -8.372 1.113 -31.787 1.00 53.24 H new ATOM 0 HD3 ARG A 108 -7.616 -0.319 -32.457 1.00 53.24 H new ATOM 0 HE ARG A 108 -10.437 -0.149 -33.174 1.00 43.11 H new ATOM 0 HH11 ARG A 108 -7.202 1.047 -34.083 1.00 71.22 H new ATOM 0 HH12 ARG A 108 -7.687 1.382 -35.749 1.00 71.22 H new ATOM 0 HH21 ARG A 108 -11.004 0.280 -35.307 1.00 33.32 H new ATOM 0 HH22 ARG A 108 -9.822 0.951 -36.435 1.00 33.32 H new ATOM 1746 N GLY A 109 -11.511 -2.793 -28.377 1.00 74.32 N ATOM 1747 CA GLY A 109 -12.707 -2.413 -27.636 1.00 44.41 C ATOM 1748 C GLY A 109 -12.401 -2.188 -26.168 1.00 2.13 C ATOM 1749 O GLY A 109 -12.095 -3.141 -25.439 1.00 42.43 O ATOM 0 H GLY A 109 -10.807 -3.266 -27.810 1.00 74.32 H new ATOM 0 HA2 GLY A 109 -13.129 -1.504 -28.065 1.00 44.41 H new ATOM 0 HA3 GLY A 109 -13.462 -3.193 -27.736 1.00 44.41 H new ATOM 1753 N SER A 110 -12.453 -0.916 -25.741 1.00 32.11 N ATOM 1754 CA SER A 110 -12.208 -0.524 -24.342 1.00 41.12 C ATOM 1755 C SER A 110 -13.489 -0.701 -23.500 1.00 62.43 C ATOM 1756 O SER A 110 -14.578 -0.888 -24.054 1.00 74.51 O ATOM 1757 CB SER A 110 -11.711 0.933 -24.298 1.00 33.21 C ATOM 1758 OG SER A 110 -10.572 1.097 -25.125 1.00 31.11 O ATOM 0 H SER A 110 -12.666 -0.130 -26.355 1.00 32.11 H new ATOM 0 HA SER A 110 -11.440 -1.168 -23.914 1.00 41.12 H new ATOM 0 HB2 SER A 110 -12.505 1.604 -24.626 1.00 33.21 H new ATOM 0 HB3 SER A 110 -11.465 1.208 -23.272 1.00 33.21 H new ATOM 0 HG SER A 110 -10.271 2.029 -25.086 1.00 31.11 H new ATOM 1764 N GLY A 111 -13.348 -0.635 -22.163 1.00 65.40 N ATOM 1765 CA GLY A 111 -14.458 -0.912 -21.239 1.00 34.52 C ATOM 1766 C GLY A 111 -14.539 -2.396 -20.894 1.00 65.33 C ATOM 1767 O GLY A 111 -14.547 -2.772 -19.713 1.00 62.41 O ATOM 0 H GLY A 111 -12.473 -0.391 -21.700 1.00 65.40 H new ATOM 0 HA2 GLY A 111 -14.327 -0.331 -20.326 1.00 34.52 H new ATOM 0 HA3 GLY A 111 -15.397 -0.590 -21.689 1.00 34.52 H new ATOM 1771 N GLY A 112 -14.582 -3.241 -21.937 1.00 15.43 N ATOM 1772 CA GLY A 112 -14.567 -4.684 -21.763 1.00 73.11 C ATOM 1773 C GLY A 112 -14.731 -5.434 -23.073 1.00 1.32 C ATOM 1774 O GLY A 112 -14.581 -4.863 -24.159 1.00 13.32 O ATOM 0 H GLY A 112 -14.627 -2.938 -22.910 1.00 15.43 H new ATOM 0 HA2 GLY A 112 -13.628 -4.980 -21.295 1.00 73.11 H new ATOM 0 HA3 GLY A 112 -15.367 -4.972 -21.082 1.00 73.11 H new ATOM 1778 N ILE A 113 -15.007 -6.735 -22.955 1.00 45.10 N ATOM 1779 CA ILE A 113 -15.253 -7.654 -24.085 1.00 51.11 C ATOM 1780 C ILE A 113 -16.770 -8.008 -24.061 1.00 22.23 C ATOM 1781 O ILE A 113 -17.496 -7.536 -23.187 1.00 33.42 O ATOM 1782 CB ILE A 113 -14.343 -8.973 -23.954 1.00 2.31 C ATOM 1783 CG1 ILE A 113 -12.843 -8.640 -23.578 1.00 35.02 C ATOM 1784 CG2 ILE A 113 -14.377 -9.820 -25.256 1.00 63.21 C ATOM 1785 CD1 ILE A 113 -12.577 -8.362 -22.098 1.00 34.51 C ATOM 0 H ILE A 113 -15.069 -7.198 -22.048 1.00 45.10 H new ATOM 0 HA ILE A 113 -14.988 -7.186 -25.033 1.00 51.11 H new ATOM 0 HB ILE A 113 -14.774 -9.554 -23.139 1.00 2.31 H new ATOM 0 HG12 ILE A 113 -12.215 -9.475 -23.891 1.00 35.02 H new ATOM 0 HG13 ILE A 113 -12.528 -7.770 -24.155 1.00 35.02 H new ATOM 0 HG21 ILE A 113 -13.751 -10.704 -25.132 1.00 63.21 H new ATOM 0 HG22 ILE A 113 -15.402 -10.128 -25.463 1.00 63.21 H new ATOM 0 HG23 ILE A 113 -14.002 -9.224 -26.088 1.00 63.21 H new ATOM 0 HD11 ILE A 113 -11.519 -8.146 -21.953 1.00 34.51 H new ATOM 0 HD12 ILE A 113 -13.170 -7.506 -21.776 1.00 34.51 H new ATOM 0 HD13 ILE A 113 -12.853 -9.236 -21.508 1.00 34.51 H new ATOM 1797 N GLU A 114 -17.267 -8.810 -25.015 1.00 4.11 N ATOM 1798 CA GLU A 114 -18.626 -9.406 -24.937 1.00 33.12 C ATOM 1799 C GLU A 114 -18.506 -10.884 -24.523 1.00 73.24 C ATOM 1800 O GLU A 114 -17.566 -11.574 -24.940 1.00 51.12 O ATOM 1801 CB GLU A 114 -19.427 -9.262 -26.276 1.00 72.32 C ATOM 1802 CG GLU A 114 -18.791 -9.900 -27.533 1.00 61.01 C ATOM 1803 CD GLU A 114 -17.571 -9.126 -28.066 1.00 45.43 C ATOM 1804 OE1 GLU A 114 -17.761 -8.026 -28.616 1.00 3.10 O ATOM 1805 OE2 GLU A 114 -16.427 -9.595 -27.918 1.00 3.22 O ATOM 0 H GLU A 114 -16.751 -9.067 -25.857 1.00 4.11 H new ATOM 0 HA GLU A 114 -19.193 -8.856 -24.186 1.00 33.12 H new ATOM 0 HB2 GLU A 114 -20.414 -9.702 -26.132 1.00 72.32 H new ATOM 0 HB3 GLU A 114 -19.577 -8.200 -26.471 1.00 72.32 H new ATOM 0 HG2 GLU A 114 -18.489 -10.921 -27.299 1.00 61.01 H new ATOM 0 HG3 GLU A 114 -19.543 -9.962 -28.319 1.00 61.01 H new ATOM 1812 N GLY A 115 -19.450 -11.356 -23.691 1.00 2.23 N ATOM 1813 CA GLY A 115 -19.459 -12.742 -23.205 1.00 41.42 C ATOM 1814 C GLY A 115 -19.072 -12.848 -21.733 1.00 60.33 C ATOM 1815 O GLY A 115 -18.908 -11.834 -21.051 1.00 54.43 O ATOM 0 H GLY A 115 -20.222 -10.790 -23.340 1.00 2.23 H new ATOM 0 HA2 GLY A 115 -20.453 -13.167 -23.348 1.00 41.42 H new ATOM 0 HA3 GLY A 115 -18.769 -13.338 -23.803 1.00 41.42 H new ATOM 1819 N SER A 428 -18.940 -14.092 -21.242 1.00 45.04 N ATOM 1820 CA SER A 428 -18.504 -14.385 -19.856 1.00 33.51 C ATOM 1821 C SER A 428 -16.967 -14.232 -19.720 1.00 63.44 C ATOM 1822 O SER A 428 -16.434 -14.070 -18.605 1.00 74.31 O ATOM 1823 CB SER A 428 -18.973 -15.806 -19.446 1.00 53.35 C ATOM 1824 OG SER A 428 -18.726 -16.063 -18.071 1.00 15.52 O ATOM 0 H SER A 428 -19.132 -14.929 -21.793 1.00 45.04 H new ATOM 0 HA SER A 428 -18.963 -13.665 -19.178 1.00 33.51 H new ATOM 0 HB2 SER A 428 -20.039 -15.911 -19.650 1.00 53.35 H new ATOM 0 HB3 SER A 428 -18.457 -16.549 -20.054 1.00 53.35 H new ATOM 0 HG SER A 428 -19.201 -15.403 -17.524 1.00 15.52 H new ATOM 1830 N ILE A 429 -16.273 -14.267 -20.880 1.00 10.23 N ATOM 1831 CA ILE A 429 -14.834 -13.944 -20.989 1.00 62.34 C ATOM 1832 C ILE A 429 -14.577 -12.506 -20.476 1.00 61.31 C ATOM 1833 O ILE A 429 -13.554 -12.248 -19.841 1.00 14.35 O ATOM 1834 CB ILE A 429 -14.314 -14.156 -22.480 1.00 73.35 C ATOM 1835 CG1 ILE A 429 -12.754 -13.928 -22.660 1.00 40.12 C ATOM 1836 CG2 ILE A 429 -15.119 -13.295 -23.483 1.00 0.45 C ATOM 1837 CD1 ILE A 429 -12.290 -12.488 -22.933 1.00 32.21 C ATOM 0 H ILE A 429 -16.699 -14.522 -21.771 1.00 10.23 H new ATOM 0 HA ILE A 429 -14.264 -14.628 -20.360 1.00 62.34 H new ATOM 0 HB ILE A 429 -14.487 -15.209 -22.700 1.00 73.35 H new ATOM 0 HG12 ILE A 429 -12.253 -14.281 -21.759 1.00 40.12 H new ATOM 0 HG13 ILE A 429 -12.412 -14.557 -23.482 1.00 40.12 H new ATOM 0 HG21 ILE A 429 -14.740 -13.462 -24.491 1.00 0.45 H new ATOM 0 HG22 ILE A 429 -16.172 -13.575 -23.440 1.00 0.45 H new ATOM 0 HG23 ILE A 429 -15.013 -12.241 -23.225 1.00 0.45 H new ATOM 0 HD11 ILE A 429 -11.205 -12.469 -23.036 1.00 32.21 H new ATOM 0 HD12 ILE A 429 -12.748 -12.126 -23.853 1.00 32.21 H new ATOM 0 HD13 ILE A 429 -12.587 -11.847 -22.103 1.00 32.21 H new ATOM 1849 N ASP A 430 -15.545 -11.605 -20.725 1.00 64.41 N ATOM 1850 CA ASP A 430 -15.532 -10.233 -20.199 1.00 65.51 C ATOM 1851 C ASP A 430 -15.506 -10.227 -18.670 1.00 61.32 C ATOM 1852 O ASP A 430 -14.746 -9.468 -18.074 1.00 31.21 O ATOM 1853 CB ASP A 430 -16.774 -9.457 -20.689 1.00 11.23 C ATOM 1854 CG ASP A 430 -16.956 -8.088 -19.994 1.00 53.12 C ATOM 1855 OD1 ASP A 430 -16.126 -7.190 -20.214 1.00 14.31 O ATOM 1856 OD2 ASP A 430 -17.931 -7.913 -19.229 1.00 62.52 O ATOM 0 H ASP A 430 -16.361 -11.812 -21.300 1.00 64.41 H new ATOM 0 HA ASP A 430 -14.628 -9.748 -20.568 1.00 65.51 H new ATOM 0 HB2 ASP A 430 -16.695 -9.302 -21.765 1.00 11.23 H new ATOM 0 HB3 ASP A 430 -17.663 -10.064 -20.518 1.00 11.23 H new ATOM 1861 N GLU A 431 -16.359 -11.073 -18.064 1.00 1.11 N ATOM 1862 CA GLU A 431 -16.530 -11.137 -16.610 1.00 62.12 C ATOM 1863 C GLU A 431 -15.214 -11.508 -15.922 1.00 22.25 C ATOM 1864 O GLU A 431 -14.751 -10.761 -15.055 1.00 1.54 O ATOM 1865 CB GLU A 431 -17.652 -12.129 -16.223 1.00 21.31 C ATOM 1866 CG GLU A 431 -19.041 -11.754 -16.771 1.00 23.21 C ATOM 1867 CD GLU A 431 -20.141 -12.700 -16.276 1.00 12.12 C ATOM 1868 OE1 GLU A 431 -20.356 -13.755 -16.907 1.00 55.12 O ATOM 1869 OE2 GLU A 431 -20.791 -12.392 -15.253 1.00 4.11 O ATOM 0 H GLU A 431 -16.948 -11.731 -18.574 1.00 1.11 H new ATOM 0 HA GLU A 431 -16.826 -10.146 -16.265 1.00 62.12 H new ATOM 0 HB2 GLU A 431 -17.386 -13.121 -16.587 1.00 21.31 H new ATOM 0 HB3 GLU A 431 -17.707 -12.192 -15.136 1.00 21.31 H new ATOM 0 HG2 GLU A 431 -19.282 -10.734 -16.473 1.00 23.21 H new ATOM 0 HG3 GLU A 431 -19.015 -11.770 -17.861 1.00 23.21 H new ATOM 1876 N THR A 432 -14.599 -12.632 -16.348 1.00 34.35 N ATOM 1877 CA THR A 432 -13.339 -13.112 -15.739 1.00 21.12 C ATOM 1878 C THR A 432 -12.198 -12.076 -15.904 1.00 51.12 C ATOM 1879 O THR A 432 -11.481 -11.780 -14.934 1.00 24.12 O ATOM 1880 CB THR A 432 -12.898 -14.515 -16.277 1.00 72.11 C ATOM 1881 OG1 THR A 432 -11.732 -14.973 -15.567 1.00 64.43 O ATOM 1882 CG2 THR A 432 -12.603 -14.512 -17.783 1.00 60.40 C ATOM 0 H THR A 432 -14.950 -13.220 -17.104 1.00 34.35 H new ATOM 0 HA THR A 432 -13.544 -13.232 -14.675 1.00 21.12 H new ATOM 0 HB THR A 432 -13.737 -15.190 -16.108 1.00 72.11 H new ATOM 0 HG1 THR A 432 -11.465 -15.852 -15.909 1.00 64.43 H new ATOM 0 HG21 THR A 432 -12.302 -15.512 -18.097 1.00 60.40 H new ATOM 0 HG22 THR A 432 -13.498 -14.214 -18.329 1.00 60.40 H new ATOM 0 HG23 THR A 432 -11.798 -13.808 -17.995 1.00 60.40 H new ATOM 1890 N VAL A 433 -12.081 -11.479 -17.117 1.00 11.25 N ATOM 1891 CA VAL A 433 -11.089 -10.422 -17.384 1.00 52.34 C ATOM 1892 C VAL A 433 -11.344 -9.208 -16.476 1.00 35.42 C ATOM 1893 O VAL A 433 -10.410 -8.658 -15.927 1.00 4.55 O ATOM 1894 CB VAL A 433 -11.076 -9.977 -18.898 1.00 20.24 C ATOM 1895 CG1 VAL A 433 -10.171 -8.737 -19.129 1.00 42.13 C ATOM 1896 CG2 VAL A 433 -10.635 -11.142 -19.813 1.00 75.43 C ATOM 0 H VAL A 433 -12.663 -11.715 -17.920 1.00 11.25 H new ATOM 0 HA VAL A 433 -10.107 -10.841 -17.162 1.00 52.34 H new ATOM 0 HB VAL A 433 -12.097 -9.696 -19.157 1.00 20.24 H new ATOM 0 HG11 VAL A 433 -10.190 -8.464 -20.184 1.00 42.13 H new ATOM 0 HG12 VAL A 433 -10.538 -7.902 -18.531 1.00 42.13 H new ATOM 0 HG13 VAL A 433 -9.149 -8.973 -18.834 1.00 42.13 H new ATOM 0 HG21 VAL A 433 -10.634 -10.809 -20.851 1.00 75.43 H new ATOM 0 HG22 VAL A 433 -9.631 -11.464 -19.534 1.00 75.43 H new ATOM 0 HG23 VAL A 433 -11.328 -11.976 -19.700 1.00 75.43 H new ATOM 1906 N ALA A 434 -12.624 -8.853 -16.291 1.00 42.43 N ATOM 1907 CA ALA A 434 -13.037 -7.677 -15.503 1.00 12.05 C ATOM 1908 C ALA A 434 -12.669 -7.827 -14.018 1.00 0.44 C ATOM 1909 O ALA A 434 -12.317 -6.836 -13.373 1.00 24.12 O ATOM 1910 CB ALA A 434 -14.545 -7.434 -15.658 1.00 10.42 C ATOM 0 H ALA A 434 -13.407 -9.375 -16.685 1.00 42.43 H new ATOM 0 HA ALA A 434 -12.495 -6.814 -15.890 1.00 12.05 H new ATOM 0 HB1 ALA A 434 -14.835 -6.563 -15.071 1.00 10.42 H new ATOM 0 HB2 ALA A 434 -14.779 -7.258 -16.708 1.00 10.42 H new ATOM 0 HB3 ALA A 434 -15.093 -8.308 -15.305 1.00 10.42 H new ATOM 1916 N ARG A 435 -12.738 -9.068 -13.487 1.00 45.23 N ATOM 1917 CA ARG A 435 -12.386 -9.337 -12.077 1.00 62.42 C ATOM 1918 C ARG A 435 -10.882 -9.149 -11.893 1.00 32.31 C ATOM 1919 O ARG A 435 -10.445 -8.365 -11.063 1.00 70.13 O ATOM 1920 CB ARG A 435 -12.773 -10.775 -11.626 1.00 52.33 C ATOM 1921 CG ARG A 435 -14.176 -11.245 -12.032 1.00 11.34 C ATOM 1922 CD ARG A 435 -15.318 -10.275 -11.665 1.00 74.13 C ATOM 1923 NE ARG A 435 -16.621 -10.796 -12.131 1.00 5.14 N ATOM 1924 CZ ARG A 435 -17.518 -10.112 -12.857 1.00 62.43 C ATOM 1925 NH1 ARG A 435 -17.288 -8.855 -13.225 1.00 1.13 N ATOM 1926 NH2 ARG A 435 -18.648 -10.707 -13.214 1.00 12.54 N ATOM 0 H ARG A 435 -13.032 -9.893 -14.010 1.00 45.23 H new ATOM 0 HA ARG A 435 -12.950 -8.636 -11.462 1.00 62.42 H new ATOM 0 HB2 ARG A 435 -12.043 -11.473 -12.036 1.00 52.33 H new ATOM 0 HB3 ARG A 435 -12.692 -10.830 -10.540 1.00 52.33 H new ATOM 0 HG2 ARG A 435 -14.191 -11.409 -13.109 1.00 11.34 H new ATOM 0 HG3 ARG A 435 -14.371 -12.208 -11.560 1.00 11.34 H new ATOM 0 HD2 ARG A 435 -15.345 -10.130 -10.585 1.00 74.13 H new ATOM 0 HD3 ARG A 435 -15.130 -9.299 -12.113 1.00 74.13 H new ATOM 0 HE ARG A 435 -16.858 -11.756 -11.879 1.00 5.14 H new ATOM 0 HH11 ARG A 435 -16.418 -8.396 -12.955 1.00 1.13 H new ATOM 0 HH12 ARG A 435 -17.981 -8.350 -13.777 1.00 1.13 H new ATOM 0 HH21 ARG A 435 -18.826 -11.672 -12.937 1.00 12.54 H new ATOM 0 HH22 ARG A 435 -19.339 -10.199 -13.766 1.00 12.54 H new ATOM 1940 N TYR A 436 -10.109 -9.861 -12.724 1.00 14.15 N ATOM 1941 CA TYR A 436 -8.635 -9.892 -12.637 1.00 33.04 C ATOM 1942 C TYR A 436 -8.002 -8.547 -13.046 1.00 3.24 C ATOM 1943 O TYR A 436 -6.907 -8.232 -12.594 1.00 61.30 O ATOM 1944 CB TYR A 436 -8.079 -11.058 -13.495 1.00 52.20 C ATOM 1945 CG TYR A 436 -8.324 -12.450 -12.882 1.00 1.11 C ATOM 1946 CD1 TYR A 436 -7.267 -13.226 -12.402 1.00 12.11 C ATOM 1947 CD2 TYR A 436 -9.613 -12.978 -12.765 1.00 32.21 C ATOM 1948 CE1 TYR A 436 -7.489 -14.465 -11.832 1.00 73.31 C ATOM 1949 CE2 TYR A 436 -9.836 -14.216 -12.199 1.00 12.32 C ATOM 1950 CZ TYR A 436 -8.772 -14.954 -11.736 1.00 23.44 C ATOM 1951 OH TYR A 436 -8.994 -16.184 -11.151 1.00 60.20 O ATOM 0 H TYR A 436 -10.485 -10.435 -13.479 1.00 14.15 H new ATOM 0 HA TYR A 436 -8.363 -10.060 -11.595 1.00 33.04 H new ATOM 0 HB2 TYR A 436 -8.537 -11.020 -14.483 1.00 52.20 H new ATOM 0 HB3 TYR A 436 -7.007 -10.916 -13.635 1.00 52.20 H new ATOM 0 HD1 TYR A 436 -6.257 -12.851 -12.478 1.00 12.11 H new ATOM 0 HD2 TYR A 436 -10.453 -12.404 -13.126 1.00 32.21 H new ATOM 0 HE1 TYR A 436 -6.658 -15.048 -11.463 1.00 73.31 H new ATOM 0 HE2 TYR A 436 -10.841 -14.604 -12.120 1.00 12.32 H new ATOM 0 HH TYR A 436 -9.954 -16.383 -11.161 1.00 60.20 H new ATOM 1961 N LYS A 437 -8.701 -7.773 -13.892 1.00 15.24 N ATOM 1962 CA LYS A 437 -8.270 -6.424 -14.316 1.00 11.04 C ATOM 1963 C LYS A 437 -8.522 -5.422 -13.188 1.00 14.04 C ATOM 1964 O LYS A 437 -7.712 -4.517 -12.967 1.00 12.40 O ATOM 1965 CB LYS A 437 -9.008 -5.986 -15.609 1.00 51.05 C ATOM 1966 CG LYS A 437 -8.716 -4.539 -16.066 1.00 12.32 C ATOM 1967 CD LYS A 437 -9.398 -4.183 -17.404 1.00 40.43 C ATOM 1968 CE LYS A 437 -9.218 -2.699 -17.774 1.00 45.34 C ATOM 1969 NZ LYS A 437 -7.784 -2.299 -17.828 1.00 24.14 N ATOM 0 H LYS A 437 -9.587 -8.064 -14.305 1.00 15.24 H new ATOM 0 HA LYS A 437 -7.203 -6.452 -14.535 1.00 11.04 H new ATOM 0 HB2 LYS A 437 -8.735 -6.668 -16.414 1.00 51.05 H new ATOM 0 HB3 LYS A 437 -10.081 -6.092 -15.451 1.00 51.05 H new ATOM 0 HG2 LYS A 437 -9.053 -3.845 -15.296 1.00 12.32 H new ATOM 0 HG3 LYS A 437 -7.639 -4.405 -16.166 1.00 12.32 H new ATOM 0 HD2 LYS A 437 -8.985 -4.806 -18.197 1.00 40.43 H new ATOM 0 HD3 LYS A 437 -10.462 -4.413 -17.340 1.00 40.43 H new ATOM 0 HE2 LYS A 437 -9.682 -2.509 -18.742 1.00 45.34 H new ATOM 0 HE3 LYS A 437 -9.738 -2.079 -17.044 1.00 45.34 H new ATOM 0 HZ1 LYS A 437 -7.710 -1.317 -18.162 1.00 24.14 H new ATOM 0 HZ2 LYS A 437 -7.367 -2.374 -16.878 1.00 24.14 H new ATOM 0 HZ3 LYS A 437 -7.273 -2.927 -18.481 1.00 24.14 H new ATOM 1983 N ALA A 438 -9.655 -5.592 -12.483 1.00 2.20 N ATOM 1984 CA ALA A 438 -9.976 -4.783 -11.298 1.00 54.43 C ATOM 1985 C ALA A 438 -8.929 -5.045 -10.210 1.00 72.15 C ATOM 1986 O ALA A 438 -8.256 -4.124 -9.771 1.00 72.04 O ATOM 1987 CB ALA A 438 -11.392 -5.088 -10.795 1.00 75.41 C ATOM 0 H ALA A 438 -10.365 -6.286 -12.717 1.00 2.20 H new ATOM 0 HA ALA A 438 -9.951 -3.726 -11.564 1.00 54.43 H new ATOM 0 HB1 ALA A 438 -11.606 -4.477 -9.918 1.00 75.41 H new ATOM 0 HB2 ALA A 438 -12.114 -4.861 -11.580 1.00 75.41 H new ATOM 0 HB3 ALA A 438 -11.464 -6.143 -10.529 1.00 75.41 H new ATOM 1993 N GLN A 439 -8.756 -6.332 -9.851 1.00 21.11 N ATOM 1994 CA GLN A 439 -7.766 -6.782 -8.853 1.00 11.24 C ATOM 1995 C GLN A 439 -6.350 -6.291 -9.207 1.00 65.43 C ATOM 1996 O GLN A 439 -5.607 -5.841 -8.329 1.00 62.12 O ATOM 1997 CB GLN A 439 -7.780 -8.331 -8.740 1.00 63.24 C ATOM 1998 CG GLN A 439 -9.107 -8.937 -8.242 1.00 62.33 C ATOM 1999 CD GLN A 439 -9.511 -8.450 -6.851 1.00 53.13 C ATOM 2000 OE1 GLN A 439 -9.130 -9.040 -5.851 1.00 11.54 O ATOM 2001 NE2 GLN A 439 -10.300 -7.390 -6.782 1.00 21.31 N ATOM 0 H GLN A 439 -9.304 -7.095 -10.249 1.00 21.11 H new ATOM 0 HA GLN A 439 -8.043 -6.351 -7.891 1.00 11.24 H new ATOM 0 HB2 GLN A 439 -7.550 -8.753 -9.718 1.00 63.24 H new ATOM 0 HB3 GLN A 439 -6.982 -8.638 -8.064 1.00 63.24 H new ATOM 0 HG2 GLN A 439 -9.899 -8.691 -8.949 1.00 62.33 H new ATOM 0 HG3 GLN A 439 -9.019 -10.023 -8.227 1.00 62.33 H new ATOM 0 HE21 GLN A 439 -10.600 -6.921 -7.637 1.00 21.31 H new ATOM 0 HE22 GLN A 439 -10.609 -7.042 -5.874 1.00 21.31 H new ATOM 2010 N PHE A 440 -6.010 -6.352 -10.512 1.00 21.45 N ATOM 2011 CA PHE A 440 -4.707 -5.899 -11.008 1.00 43.13 C ATOM 2012 C PHE A 440 -4.522 -4.398 -10.728 1.00 23.01 C ATOM 2013 O PHE A 440 -3.668 -4.027 -9.935 1.00 43.25 O ATOM 2014 CB PHE A 440 -4.541 -6.189 -12.524 1.00 24.30 C ATOM 2015 CG PHE A 440 -3.135 -5.901 -13.047 1.00 23.12 C ATOM 2016 CD1 PHE A 440 -2.133 -6.863 -12.947 1.00 53.51 C ATOM 2017 CD2 PHE A 440 -2.810 -4.662 -13.615 1.00 25.23 C ATOM 2018 CE1 PHE A 440 -0.858 -6.599 -13.398 1.00 22.41 C ATOM 2019 CE2 PHE A 440 -1.532 -4.403 -14.068 1.00 34.41 C ATOM 2020 CZ PHE A 440 -0.559 -5.373 -13.957 1.00 41.44 C ATOM 0 H PHE A 440 -6.628 -6.713 -11.239 1.00 21.45 H new ATOM 0 HA PHE A 440 -3.937 -6.458 -10.477 1.00 43.13 H new ATOM 0 HB2 PHE A 440 -4.785 -7.234 -12.715 1.00 24.30 H new ATOM 0 HB3 PHE A 440 -5.258 -5.587 -13.082 1.00 24.30 H new ATOM 0 HD1 PHE A 440 -2.357 -7.826 -12.512 1.00 53.51 H new ATOM 0 HD2 PHE A 440 -3.570 -3.899 -13.700 1.00 25.23 H new ATOM 0 HE1 PHE A 440 -0.090 -7.354 -13.314 1.00 22.41 H new ATOM 0 HE2 PHE A 440 -1.296 -3.445 -14.507 1.00 34.41 H new ATOM 0 HZ PHE A 440 0.442 -5.173 -14.309 1.00 41.44 H new ATOM 2030 N THR A 441 -5.389 -3.575 -11.335 1.00 41.22 N ATOM 2031 CA THR A 441 -5.276 -2.105 -11.326 1.00 34.00 C ATOM 2032 C THR A 441 -5.381 -1.514 -9.903 1.00 44.35 C ATOM 2033 O THR A 441 -4.715 -0.535 -9.590 1.00 64.25 O ATOM 2034 CB THR A 441 -6.369 -1.473 -12.246 1.00 61.13 C ATOM 2035 OG1 THR A 441 -6.282 -2.050 -13.560 1.00 25.24 O ATOM 2036 CG2 THR A 441 -6.239 0.057 -12.367 1.00 51.25 C ATOM 0 H THR A 441 -6.200 -3.914 -11.853 1.00 41.22 H new ATOM 0 HA THR A 441 -4.286 -1.859 -11.709 1.00 34.00 H new ATOM 0 HB THR A 441 -7.333 -1.687 -11.785 1.00 61.13 H new ATOM 0 HG1 THR A 441 -6.725 -2.924 -13.563 1.00 25.24 H new ATOM 0 HG21 THR A 441 -7.025 0.439 -13.018 1.00 51.25 H new ATOM 0 HG22 THR A 441 -6.334 0.509 -11.380 1.00 51.25 H new ATOM 0 HG23 THR A 441 -5.265 0.307 -12.789 1.00 51.25 H new ATOM 2044 N GLN A 442 -6.214 -2.136 -9.063 1.00 73.00 N ATOM 2045 CA GLN A 442 -6.436 -1.708 -7.665 1.00 53.33 C ATOM 2046 C GLN A 442 -5.189 -1.957 -6.799 1.00 71.33 C ATOM 2047 O GLN A 442 -4.740 -1.063 -6.077 1.00 20.30 O ATOM 2048 CB GLN A 442 -7.676 -2.436 -7.092 1.00 12.53 C ATOM 2049 CG GLN A 442 -9.016 -1.974 -7.716 1.00 41.10 C ATOM 2050 CD GLN A 442 -10.224 -2.841 -7.338 1.00 51.41 C ATOM 2051 OE1 GLN A 442 -10.016 -4.148 -7.187 1.00 32.33 O flip ATOM 2052 NE2 GLN A 442 -11.341 -2.344 -7.236 1.00 64.34 N flip ATOM 0 H GLN A 442 -6.760 -2.956 -9.329 1.00 73.00 H new ATOM 0 HA GLN A 442 -6.622 -0.634 -7.651 1.00 53.33 H new ATOM 0 HB2 GLN A 442 -7.562 -3.508 -7.252 1.00 12.53 H new ATOM 0 HB3 GLN A 442 -7.714 -2.276 -6.014 1.00 12.53 H new ATOM 0 HG2 GLN A 442 -9.211 -0.947 -7.408 1.00 41.10 H new ATOM 0 HG3 GLN A 442 -8.914 -1.968 -8.801 1.00 41.10 H new ATOM 0 HE21 GLN A 442 -11.465 -1.339 -7.358 1.00 64.34 H new ATOM 0 HE22 GLN A 442 -12.146 -2.936 -7.030 1.00 64.34 H new ATOM 2061 N LEU A 443 -4.611 -3.165 -6.904 1.00 63.43 N ATOM 2062 CA LEU A 443 -3.357 -3.512 -6.192 1.00 24.12 C ATOM 2063 C LEU A 443 -2.137 -2.819 -6.857 1.00 53.45 C ATOM 2064 O LEU A 443 -1.089 -2.679 -6.229 1.00 62.42 O ATOM 2065 CB LEU A 443 -3.148 -5.059 -6.136 1.00 14.25 C ATOM 2066 CG LEU A 443 -3.969 -5.887 -5.080 1.00 4.23 C ATOM 2067 CD1 LEU A 443 -5.494 -5.654 -5.169 1.00 14.33 C ATOM 2068 CD2 LEU A 443 -3.637 -7.396 -5.219 1.00 22.24 C ATOM 0 H LEU A 443 -4.988 -3.922 -7.474 1.00 63.43 H new ATOM 0 HA LEU A 443 -3.444 -3.148 -5.168 1.00 24.12 H new ATOM 0 HB2 LEU A 443 -3.376 -5.461 -7.123 1.00 14.25 H new ATOM 0 HB3 LEU A 443 -2.090 -5.245 -5.953 1.00 14.25 H new ATOM 0 HG LEU A 443 -3.667 -5.531 -4.095 1.00 4.23 H new ATOM 0 HD11 LEU A 443 -5.999 -6.255 -4.413 1.00 14.33 H new ATOM 0 HD12 LEU A 443 -5.712 -4.600 -4.999 1.00 14.33 H new ATOM 0 HD13 LEU A 443 -5.849 -5.942 -6.158 1.00 14.33 H new ATOM 0 HD21 LEU A 443 -4.209 -7.963 -4.485 1.00 22.24 H new ATOM 0 HD22 LEU A 443 -3.897 -7.735 -6.222 1.00 22.24 H new ATOM 0 HD23 LEU A 443 -2.572 -7.551 -5.048 1.00 22.24 H new ATOM 2080 N ASP A 444 -2.304 -2.393 -8.129 1.00 5.40 N ATOM 2081 CA ASP A 444 -1.255 -1.718 -8.929 1.00 11.52 C ATOM 2082 C ASP A 444 -1.156 -0.230 -8.562 1.00 14.14 C ATOM 2083 O ASP A 444 -0.051 0.313 -8.464 1.00 65.33 O ATOM 2084 CB ASP A 444 -1.547 -1.877 -10.449 1.00 12.44 C ATOM 2085 CG ASP A 444 -0.478 -1.245 -11.355 1.00 23.33 C ATOM 2086 OD1 ASP A 444 -0.641 -0.073 -11.770 1.00 1.43 O ATOM 2087 OD2 ASP A 444 0.546 -1.905 -11.636 1.00 51.11 O ATOM 0 H ASP A 444 -3.181 -2.509 -8.636 1.00 5.40 H new ATOM 0 HA ASP A 444 -0.300 -2.191 -8.701 1.00 11.52 H new ATOM 0 HB2 ASP A 444 -1.629 -2.938 -10.685 1.00 12.44 H new ATOM 0 HB3 ASP A 444 -2.513 -1.425 -10.673 1.00 12.44 H new ATOM 2092 N THR A 445 -2.312 0.432 -8.389 1.00 31.02 N ATOM 2093 CA THR A 445 -2.353 1.846 -7.978 1.00 2.32 C ATOM 2094 C THR A 445 -1.942 1.961 -6.501 1.00 31.12 C ATOM 2095 O THR A 445 -1.265 2.928 -6.114 1.00 73.54 O ATOM 2096 CB THR A 445 -3.747 2.524 -8.235 1.00 31.42 C ATOM 2097 OG1 THR A 445 -3.691 3.924 -7.886 1.00 31.33 O ATOM 2098 CG2 THR A 445 -4.892 1.865 -7.449 1.00 72.23 C ATOM 0 H THR A 445 -3.231 0.011 -8.527 1.00 31.02 H new ATOM 0 HA THR A 445 -1.642 2.390 -8.600 1.00 2.32 H new ATOM 0 HB THR A 445 -3.957 2.397 -9.297 1.00 31.42 H new ATOM 0 HG1 THR A 445 -4.564 4.338 -8.051 1.00 31.33 H new ATOM 0 HG21 THR A 445 -5.828 2.379 -7.670 1.00 72.23 H new ATOM 0 HG22 THR A 445 -4.976 0.817 -7.738 1.00 72.23 H new ATOM 0 HG23 THR A 445 -4.685 1.931 -6.381 1.00 72.23 H new ATOM 2106 N MET A 446 -2.313 0.928 -5.700 1.00 64.02 N ATOM 2107 CA MET A 446 -1.837 0.785 -4.321 1.00 50.12 C ATOM 2108 C MET A 446 -0.312 0.666 -4.317 1.00 12.30 C ATOM 2109 O MET A 446 0.349 1.328 -3.539 1.00 14.34 O ATOM 2110 CB MET A 446 -2.451 -0.463 -3.633 1.00 43.32 C ATOM 2111 CG MET A 446 -2.094 -0.576 -2.146 1.00 32.45 C ATOM 2112 SD MET A 446 -2.729 -2.073 -1.362 1.00 62.24 S ATOM 2113 CE MET A 446 -2.190 -1.820 0.332 1.00 60.14 C ATOM 0 H MET A 446 -2.944 0.184 -5.999 1.00 64.02 H new ATOM 0 HA MET A 446 -2.148 1.669 -3.764 1.00 50.12 H new ATOM 0 HB2 MET A 446 -3.535 -0.429 -3.737 1.00 43.32 H new ATOM 0 HB3 MET A 446 -2.109 -1.359 -4.150 1.00 43.32 H new ATOM 0 HG2 MET A 446 -1.010 -0.552 -2.038 1.00 32.45 H new ATOM 0 HG3 MET A 446 -2.486 0.294 -1.620 1.00 32.45 H new ATOM 0 HE1 MET A 446 -1.664 -2.708 0.683 1.00 60.14 H new ATOM 0 HE2 MET A 446 -1.521 -0.960 0.377 1.00 60.14 H new ATOM 0 HE3 MET A 446 -3.057 -1.638 0.967 1.00 60.14 H new ATOM 2123 N MET A 447 0.202 -0.176 -5.237 1.00 1.13 N ATOM 2124 CA MET A 447 1.638 -0.471 -5.381 1.00 51.34 C ATOM 2125 C MET A 447 2.466 0.779 -5.704 1.00 33.04 C ATOM 2126 O MET A 447 3.482 1.026 -5.054 1.00 73.15 O ATOM 2127 CB MET A 447 1.863 -1.556 -6.460 1.00 72.22 C ATOM 2128 CG MET A 447 3.330 -1.820 -6.818 1.00 71.25 C ATOM 2129 SD MET A 447 3.554 -3.382 -7.677 1.00 33.14 S ATOM 2130 CE MET A 447 3.128 -4.527 -6.366 1.00 51.44 C ATOM 0 H MET A 447 -0.379 -0.676 -5.909 1.00 1.13 H new ATOM 0 HA MET A 447 1.983 -0.844 -4.417 1.00 51.34 H new ATOM 0 HB2 MET A 447 1.416 -2.488 -6.115 1.00 72.22 H new ATOM 0 HB3 MET A 447 1.331 -1.263 -7.365 1.00 72.22 H new ATOM 0 HG2 MET A 447 3.700 -1.008 -7.444 1.00 71.25 H new ATOM 0 HG3 MET A 447 3.929 -1.820 -5.907 1.00 71.25 H new ATOM 0 HE1 MET A 447 3.939 -5.243 -6.230 1.00 51.44 H new ATOM 0 HE2 MET A 447 2.971 -3.976 -5.439 1.00 51.44 H new ATOM 0 HE3 MET A 447 2.214 -5.060 -6.631 1.00 51.44 H new ATOM 2140 N SER A 448 2.020 1.554 -6.700 1.00 55.51 N ATOM 2141 CA SER A 448 2.740 2.757 -7.157 1.00 0.22 C ATOM 2142 C SER A 448 2.773 3.827 -6.050 1.00 11.43 C ATOM 2143 O SER A 448 3.797 4.509 -5.853 1.00 43.34 O ATOM 2144 CB SER A 448 2.077 3.301 -8.435 1.00 50.54 C ATOM 2145 OG SER A 448 0.687 3.515 -8.239 1.00 72.24 O ATOM 0 H SER A 448 1.157 1.370 -7.211 1.00 55.51 H new ATOM 0 HA SER A 448 3.772 2.490 -7.385 1.00 0.22 H new ATOM 0 HB2 SER A 448 2.555 4.237 -8.726 1.00 50.54 H new ATOM 0 HB3 SER A 448 2.228 2.598 -9.254 1.00 50.54 H new ATOM 0 HG SER A 448 0.417 3.140 -7.375 1.00 72.24 H new ATOM 2151 N LYS A 449 1.647 3.950 -5.319 1.00 41.44 N ATOM 2152 CA LYS A 449 1.541 4.890 -4.198 1.00 61.23 C ATOM 2153 C LYS A 449 2.357 4.419 -2.991 1.00 34.31 C ATOM 2154 O LYS A 449 3.023 5.233 -2.364 1.00 3.13 O ATOM 2155 CB LYS A 449 0.069 5.138 -3.804 1.00 52.41 C ATOM 2156 CG LYS A 449 -0.746 5.903 -4.877 1.00 52.44 C ATOM 2157 CD LYS A 449 -2.104 6.409 -4.340 1.00 2.44 C ATOM 2158 CE LYS A 449 -1.932 7.387 -3.164 1.00 54.41 C ATOM 2159 NZ LYS A 449 -3.224 7.937 -2.698 1.00 64.33 N ATOM 0 H LYS A 449 0.800 3.407 -5.489 1.00 41.44 H new ATOM 0 HA LYS A 449 1.960 5.838 -4.534 1.00 61.23 H new ATOM 0 HB2 LYS A 449 -0.412 4.179 -3.611 1.00 52.41 H new ATOM 0 HB3 LYS A 449 0.042 5.701 -2.871 1.00 52.41 H new ATOM 0 HG2 LYS A 449 -0.162 6.751 -5.236 1.00 52.44 H new ATOM 0 HG3 LYS A 449 -0.918 5.249 -5.732 1.00 52.44 H new ATOM 0 HD2 LYS A 449 -2.651 6.902 -5.144 1.00 2.44 H new ATOM 0 HD3 LYS A 449 -2.706 5.559 -4.019 1.00 2.44 H new ATOM 0 HE2 LYS A 449 -1.438 6.875 -2.338 1.00 54.41 H new ATOM 0 HE3 LYS A 449 -1.279 8.206 -3.467 1.00 54.41 H new ATOM 0 HZ1 LYS A 449 -3.067 8.523 -1.853 1.00 64.33 H new ATOM 0 HZ2 LYS A 449 -3.645 8.519 -3.450 1.00 64.33 H new ATOM 0 HZ3 LYS A 449 -3.869 7.156 -2.463 1.00 64.33 H new ATOM 2173 N LEU A 450 2.330 3.102 -2.694 1.00 14.03 N ATOM 2174 CA LEU A 450 3.044 2.544 -1.522 1.00 50.54 C ATOM 2175 C LEU A 450 4.560 2.536 -1.771 1.00 61.14 C ATOM 2176 O LEU A 450 5.350 2.517 -0.837 1.00 32.02 O ATOM 2177 CB LEU A 450 2.478 1.145 -1.075 1.00 51.04 C ATOM 2178 CG LEU A 450 2.748 -0.149 -1.937 1.00 31.24 C ATOM 2179 CD1 LEU A 450 4.191 -0.709 -1.796 1.00 25.32 C ATOM 2180 CD2 LEU A 450 1.713 -1.257 -1.604 1.00 73.40 C ATOM 0 H LEU A 450 1.825 2.408 -3.245 1.00 14.03 H new ATOM 0 HA LEU A 450 2.860 3.201 -0.672 1.00 50.54 H new ATOM 0 HB2 LEU A 450 2.863 0.949 -0.074 1.00 51.04 H new ATOM 0 HB3 LEU A 450 1.397 1.251 -0.986 1.00 51.04 H new ATOM 0 HG LEU A 450 2.637 0.161 -2.976 1.00 31.24 H new ATOM 0 HD11 LEU A 450 4.299 -1.598 -2.418 1.00 25.32 H new ATOM 0 HD12 LEU A 450 4.908 0.047 -2.116 1.00 25.32 H new ATOM 0 HD13 LEU A 450 4.380 -0.970 -0.755 1.00 25.32 H new ATOM 0 HD21 LEU A 450 1.918 -2.140 -2.210 1.00 73.40 H new ATOM 0 HD22 LEU A 450 1.785 -1.517 -0.548 1.00 73.40 H new ATOM 0 HD23 LEU A 450 0.708 -0.893 -1.821 1.00 73.40 H new ATOM 2192 N ASN A 451 4.935 2.534 -3.061 1.00 10.34 N ATOM 2193 CA ASN A 451 6.327 2.664 -3.516 1.00 71.32 C ATOM 2194 C ASN A 451 6.835 4.090 -3.216 1.00 62.52 C ATOM 2195 O ASN A 451 7.910 4.277 -2.616 1.00 1.13 O ATOM 2196 CB ASN A 451 6.396 2.348 -5.035 1.00 72.52 C ATOM 2197 CG ASN A 451 7.809 2.423 -5.610 1.00 35.14 C ATOM 2198 OD1 ASN A 451 8.543 1.440 -5.588 1.00 74.22 O ATOM 2199 ND2 ASN A 451 8.199 3.585 -6.124 1.00 13.12 N ATOM 0 H ASN A 451 4.269 2.441 -3.828 1.00 10.34 H new ATOM 0 HA ASN A 451 6.967 1.958 -2.987 1.00 71.32 H new ATOM 0 HB2 ASN A 451 5.994 1.350 -5.209 1.00 72.52 H new ATOM 0 HB3 ASN A 451 5.756 3.047 -5.573 1.00 72.52 H new ATOM 0 HD21 ASN A 451 9.135 3.680 -6.517 1.00 13.12 H new ATOM 0 HD22 ASN A 451 7.562 4.382 -6.125 1.00 13.12 H new ATOM 2206 N ASN A 452 6.022 5.084 -3.637 1.00 53.31 N ATOM 2207 CA ASN A 452 6.291 6.517 -3.412 1.00 63.13 C ATOM 2208 C ASN A 452 6.387 6.829 -1.906 1.00 12.04 C ATOM 2209 O ASN A 452 7.330 7.512 -1.456 1.00 43.00 O ATOM 2210 CB ASN A 452 5.172 7.381 -4.064 1.00 64.30 C ATOM 2211 CG ASN A 452 5.362 8.896 -3.867 1.00 63.44 C ATOM 2212 OD1 ASN A 452 6.483 9.406 -3.831 1.00 70.42 O ATOM 2213 ND2 ASN A 452 4.266 9.620 -3.722 1.00 32.11 N ATOM 0 H ASN A 452 5.155 4.911 -4.146 1.00 53.31 H new ATOM 0 HA ASN A 452 7.247 6.761 -3.875 1.00 63.13 H new ATOM 0 HB2 ASN A 452 5.135 7.165 -5.132 1.00 64.30 H new ATOM 0 HB3 ASN A 452 4.209 7.088 -3.646 1.00 64.30 H new ATOM 0 HD21 ASN A 452 4.336 10.627 -3.576 1.00 32.11 H new ATOM 0 HD22 ASN A 452 3.350 9.172 -3.756 1.00 32.11 H new ATOM 2220 N THR A 453 5.415 6.305 -1.137 1.00 63.41 N ATOM 2221 CA THR A 453 5.327 6.548 0.302 1.00 74.11 C ATOM 2222 C THR A 453 6.563 5.984 1.008 1.00 42.35 C ATOM 2223 O THR A 453 7.341 6.768 1.534 1.00 44.31 O ATOM 2224 CB THR A 453 4.010 5.985 0.928 1.00 24.32 C ATOM 2225 OG1 THR A 453 3.884 4.623 0.591 1.00 41.12 O ATOM 2226 CG2 THR A 453 2.757 6.743 0.445 1.00 1.42 C ATOM 0 H THR A 453 4.675 5.705 -1.500 1.00 63.41 H new ATOM 0 HA THR A 453 5.297 7.627 0.450 1.00 74.11 H new ATOM 0 HB THR A 453 4.077 6.115 2.008 1.00 24.32 H new ATOM 0 HG1 THR A 453 3.370 4.160 1.285 1.00 41.12 H new ATOM 0 HG21 THR A 453 1.870 6.313 0.909 1.00 1.42 H new ATOM 0 HG22 THR A 453 2.838 7.794 0.722 1.00 1.42 H new ATOM 0 HG23 THR A 453 2.676 6.659 -0.639 1.00 1.42 H new ATOM 2234 N SER A 454 6.785 4.647 0.928 1.00 63.20 N ATOM 2235 CA SER A 454 7.923 3.970 1.601 1.00 65.44 C ATOM 2236 C SER A 454 9.286 4.608 1.249 1.00 40.33 C ATOM 2237 O SER A 454 10.211 4.575 2.066 1.00 34.42 O ATOM 2238 CB SER A 454 7.948 2.461 1.272 1.00 72.42 C ATOM 2239 OG SER A 454 8.042 2.233 -0.122 1.00 70.24 O ATOM 0 H SER A 454 6.186 4.013 0.400 1.00 63.20 H new ATOM 0 HA SER A 454 7.765 4.100 2.672 1.00 65.44 H new ATOM 0 HB2 SER A 454 8.793 1.992 1.776 1.00 72.42 H new ATOM 0 HB3 SER A 454 7.045 1.989 1.658 1.00 72.42 H new ATOM 0 HG SER A 454 7.151 2.300 -0.525 1.00 70.24 H new ATOM 2245 N SER A 455 9.380 5.197 0.035 1.00 34.52 N ATOM 2246 CA SER A 455 10.567 5.952 -0.397 1.00 73.15 C ATOM 2247 C SER A 455 10.809 7.170 0.522 1.00 10.42 C ATOM 2248 O SER A 455 11.831 7.239 1.226 1.00 41.12 O ATOM 2249 CB SER A 455 10.409 6.392 -1.865 1.00 33.14 C ATOM 2250 OG SER A 455 11.570 7.043 -2.324 1.00 24.20 O ATOM 0 H SER A 455 8.638 5.160 -0.664 1.00 34.52 H new ATOM 0 HA SER A 455 11.439 5.302 -0.322 1.00 73.15 H new ATOM 0 HB2 SER A 455 10.205 5.522 -2.489 1.00 33.14 H new ATOM 0 HB3 SER A 455 9.552 7.060 -1.958 1.00 33.14 H new ATOM 0 HG SER A 455 11.447 7.311 -3.258 1.00 24.20 H new ATOM 2256 N TYR A 456 9.846 8.114 0.557 1.00 2.44 N ATOM 2257 CA TYR A 456 10.007 9.336 1.372 1.00 72.44 C ATOM 2258 C TYR A 456 9.868 9.048 2.882 1.00 61.21 C ATOM 2259 O TYR A 456 10.324 9.843 3.703 1.00 62.43 O ATOM 2260 CB TYR A 456 9.096 10.504 0.895 1.00 41.32 C ATOM 2261 CG TYR A 456 7.568 10.295 0.914 1.00 61.14 C ATOM 2262 CD1 TYR A 456 6.869 10.075 2.103 1.00 53.23 C ATOM 2263 CD2 TYR A 456 6.814 10.395 -0.259 1.00 32.12 C ATOM 2264 CE1 TYR A 456 5.499 9.957 2.118 1.00 71.54 C ATOM 2265 CE2 TYR A 456 5.437 10.268 -0.243 1.00 62.12 C ATOM 2266 CZ TYR A 456 4.789 10.053 0.950 1.00 44.23 C ATOM 2267 OH TYR A 456 3.416 9.956 0.979 1.00 25.51 O ATOM 0 H TYR A 456 8.967 8.057 0.043 1.00 2.44 H new ATOM 0 HA TYR A 456 11.030 9.679 1.215 1.00 72.44 H new ATOM 0 HB2 TYR A 456 9.320 11.374 1.513 1.00 41.32 H new ATOM 0 HB3 TYR A 456 9.384 10.755 -0.126 1.00 41.32 H new ATOM 0 HD1 TYR A 456 7.416 9.996 3.031 1.00 53.23 H new ATOM 0 HD2 TYR A 456 7.317 10.575 -1.197 1.00 32.12 H new ATOM 0 HE1 TYR A 456 4.982 9.789 3.051 1.00 71.54 H new ATOM 0 HE2 TYR A 456 4.874 10.337 -1.162 1.00 62.12 H new ATOM 0 HH TYR A 456 3.079 9.805 0.071 1.00 25.51 H new ATOM 2277 N LEU A 457 9.225 7.919 3.228 1.00 50.24 N ATOM 2278 CA LEU A 457 9.047 7.485 4.628 1.00 12.04 C ATOM 2279 C LEU A 457 10.359 6.945 5.205 1.00 32.14 C ATOM 2280 O LEU A 457 10.623 7.147 6.379 1.00 23.55 O ATOM 2281 CB LEU A 457 7.942 6.402 4.768 1.00 73.50 C ATOM 2282 CG LEU A 457 6.472 6.848 4.507 1.00 73.40 C ATOM 2283 CD1 LEU A 457 5.502 5.657 4.696 1.00 31.34 C ATOM 2284 CD2 LEU A 457 6.084 8.047 5.389 1.00 10.13 C ATOM 0 H LEU A 457 8.814 7.281 2.547 1.00 50.24 H new ATOM 0 HA LEU A 457 8.737 8.366 5.189 1.00 12.04 H new ATOM 0 HB2 LEU A 457 8.176 5.590 4.080 1.00 73.50 H new ATOM 0 HB3 LEU A 457 7.997 5.992 5.776 1.00 73.50 H new ATOM 0 HG LEU A 457 6.395 7.180 3.472 1.00 73.40 H new ATOM 0 HD11 LEU A 457 4.480 5.987 4.510 1.00 31.34 H new ATOM 0 HD12 LEU A 457 5.760 4.863 3.996 1.00 31.34 H new ATOM 0 HD13 LEU A 457 5.582 5.281 5.716 1.00 31.34 H new ATOM 0 HD21 LEU A 457 5.053 8.332 5.182 1.00 10.13 H new ATOM 0 HD22 LEU A 457 6.180 7.772 6.439 1.00 10.13 H new ATOM 0 HD23 LEU A 457 6.744 8.887 5.172 1.00 10.13 H new ATOM 2296 N THR A 458 11.160 6.230 4.384 1.00 51.12 N ATOM 2297 CA THR A 458 12.456 5.696 4.838 1.00 41.12 C ATOM 2298 C THR A 458 13.491 6.826 4.939 1.00 64.22 C ATOM 2299 O THR A 458 14.369 6.778 5.802 1.00 71.42 O ATOM 2300 CB THR A 458 12.982 4.514 3.950 1.00 44.41 C ATOM 2301 OG1 THR A 458 14.056 3.843 4.633 1.00 51.12 O ATOM 2302 CG2 THR A 458 13.465 4.955 2.559 1.00 21.24 C ATOM 0 H THR A 458 10.932 6.013 3.414 1.00 51.12 H new ATOM 0 HA THR A 458 12.297 5.273 5.830 1.00 41.12 H new ATOM 0 HB THR A 458 12.136 3.845 3.792 1.00 44.41 H new ATOM 0 HG1 THR A 458 14.384 3.104 4.080 1.00 51.12 H new ATOM 0 HG21 THR A 458 13.814 4.085 2.002 1.00 21.24 H new ATOM 0 HG22 THR A 458 12.642 5.425 2.020 1.00 21.24 H new ATOM 0 HG23 THR A 458 14.282 5.668 2.667 1.00 21.24 H new ATOM 2310 N GLN A 459 13.368 7.849 4.058 1.00 51.14 N ATOM 2311 CA GLN A 459 14.149 9.102 4.186 1.00 33.01 C ATOM 2312 C GLN A 459 13.830 9.774 5.532 1.00 22.14 C ATOM 2313 O GLN A 459 14.728 10.054 6.341 1.00 44.04 O ATOM 2314 CB GLN A 459 13.822 10.089 3.041 1.00 63.44 C ATOM 2315 CG GLN A 459 14.099 9.573 1.622 1.00 3.32 C ATOM 2316 CD GLN A 459 13.727 10.589 0.527 1.00 64.43 C ATOM 2317 OE1 GLN A 459 12.701 11.405 0.758 1.00 71.40 O flip ATOM 2318 NE2 GLN A 459 14.348 10.629 -0.525 1.00 51.44 N flip ATOM 0 H GLN A 459 12.739 7.831 3.256 1.00 51.14 H new ATOM 0 HA GLN A 459 15.207 8.845 4.132 1.00 33.01 H new ATOM 0 HB2 GLN A 459 12.769 10.362 3.110 1.00 63.44 H new ATOM 0 HB3 GLN A 459 14.398 11.001 3.196 1.00 63.44 H new ATOM 0 HG2 GLN A 459 15.156 9.322 1.533 1.00 3.32 H new ATOM 0 HG3 GLN A 459 13.538 8.652 1.461 1.00 3.32 H new ATOM 0 HE21 GLN A 459 15.131 9.994 -0.680 1.00 51.44 H new ATOM 0 HE22 GLN A 459 14.083 11.298 -1.248 1.00 51.44 H new ATOM 2327 N GLN A 460 12.517 9.976 5.754 1.00 15.40 N ATOM 2328 CA GLN A 460 11.963 10.626 6.946 1.00 50.02 C ATOM 2329 C GLN A 460 12.302 9.835 8.219 1.00 35.43 C ATOM 2330 O GLN A 460 12.547 10.424 9.263 1.00 74.51 O ATOM 2331 CB GLN A 460 10.422 10.774 6.785 1.00 63.13 C ATOM 2332 CG GLN A 460 9.692 11.485 7.946 1.00 40.22 C ATOM 2333 CD GLN A 460 10.185 12.911 8.193 1.00 72.11 C ATOM 2334 OE1 GLN A 460 9.709 13.866 7.574 1.00 2.44 O ATOM 2335 NE2 GLN A 460 11.128 13.073 9.113 1.00 40.24 N ATOM 0 H GLN A 460 11.800 9.683 5.091 1.00 15.40 H new ATOM 0 HA GLN A 460 12.412 11.614 7.047 1.00 50.02 H new ATOM 0 HB2 GLN A 460 10.222 11.323 5.865 1.00 63.13 H new ATOM 0 HB3 GLN A 460 9.991 9.780 6.664 1.00 63.13 H new ATOM 0 HG2 GLN A 460 8.624 11.510 7.732 1.00 40.22 H new ATOM 0 HG3 GLN A 460 9.821 10.901 8.858 1.00 40.22 H new ATOM 0 HE21 GLN A 460 11.502 12.263 9.608 1.00 40.24 H new ATOM 0 HE22 GLN A 460 11.479 14.007 9.325 1.00 40.24 H new ATOM 2344 N PHE A 461 12.332 8.502 8.100 1.00 73.44 N ATOM 2345 CA PHE A 461 12.649 7.599 9.215 1.00 35.34 C ATOM 2346 C PHE A 461 14.094 7.795 9.662 1.00 1.22 C ATOM 2347 O PHE A 461 14.343 8.083 10.826 1.00 14.12 O ATOM 2348 CB PHE A 461 12.426 6.121 8.800 1.00 53.25 C ATOM 2349 CG PHE A 461 12.839 5.095 9.859 1.00 44.31 C ATOM 2350 CD1 PHE A 461 12.336 5.170 11.160 1.00 3.10 C ATOM 2351 CD2 PHE A 461 13.734 4.068 9.553 1.00 60.13 C ATOM 2352 CE1 PHE A 461 12.721 4.257 12.115 1.00 41.14 C ATOM 2353 CE2 PHE A 461 14.112 3.153 10.512 1.00 52.23 C ATOM 2354 CZ PHE A 461 13.605 3.249 11.794 1.00 53.43 C ATOM 0 H PHE A 461 12.136 8.017 7.224 1.00 73.44 H new ATOM 0 HA PHE A 461 11.984 7.836 10.045 1.00 35.34 H new ATOM 0 HB2 PHE A 461 11.371 5.978 8.566 1.00 53.25 H new ATOM 0 HB3 PHE A 461 12.985 5.925 7.885 1.00 53.25 H new ATOM 0 HD1 PHE A 461 11.638 5.952 11.419 1.00 3.10 H new ATOM 0 HD2 PHE A 461 14.135 3.990 8.553 1.00 60.13 H new ATOM 0 HE1 PHE A 461 12.329 4.330 13.119 1.00 41.14 H new ATOM 0 HE2 PHE A 461 14.804 2.362 10.262 1.00 52.23 H new ATOM 0 HZ PHE A 461 13.902 2.533 12.546 1.00 53.43 H new ATOM 2364 N THR A 462 15.024 7.638 8.710 1.00 51.02 N ATOM 2365 CA THR A 462 16.463 7.703 8.976 1.00 25.14 C ATOM 2366 C THR A 462 16.866 9.087 9.534 1.00 63.34 C ATOM 2367 O THR A 462 17.712 9.165 10.412 1.00 64.11 O ATOM 2368 CB THR A 462 17.274 7.372 7.683 1.00 3.22 C ATOM 2369 OG1 THR A 462 16.826 6.116 7.146 1.00 32.54 O ATOM 2370 CG2 THR A 462 18.788 7.288 7.944 1.00 13.21 C ATOM 0 H THR A 462 14.796 7.462 7.732 1.00 51.02 H new ATOM 0 HA THR A 462 16.700 6.956 9.734 1.00 25.14 H new ATOM 0 HB THR A 462 17.101 8.183 6.976 1.00 3.22 H new ATOM 0 HG1 THR A 462 15.990 6.251 6.652 1.00 32.54 H new ATOM 0 HG21 THR A 462 19.305 7.056 7.013 1.00 13.21 H new ATOM 0 HG22 THR A 462 19.144 8.244 8.329 1.00 13.21 H new ATOM 0 HG23 THR A 462 18.988 6.505 8.676 1.00 13.21 H new ATOM 2378 N ALA A 463 16.203 10.152 9.050 1.00 64.24 N ATOM 2379 CA ALA A 463 16.471 11.537 9.486 1.00 34.23 C ATOM 2380 C ALA A 463 15.912 11.788 10.899 1.00 34.51 C ATOM 2381 O ALA A 463 16.637 12.222 11.805 1.00 2.25 O ATOM 2382 CB ALA A 463 15.862 12.526 8.486 1.00 60.05 C ATOM 0 H ALA A 463 15.468 10.079 8.347 1.00 64.24 H new ATOM 0 HA ALA A 463 17.550 11.686 9.521 1.00 34.23 H new ATOM 0 HB1 ALA A 463 16.064 13.546 8.814 1.00 60.05 H new ATOM 0 HB2 ALA A 463 16.304 12.367 7.502 1.00 60.05 H new ATOM 0 HB3 ALA A 463 14.785 12.369 8.429 1.00 60.05 H new ATOM 2388 N MET A 464 14.619 11.460 11.080 1.00 72.12 N ATOM 2389 CA MET A 464 13.897 11.678 12.357 1.00 1.12 C ATOM 2390 C MET A 464 14.538 10.865 13.491 1.00 21.52 C ATOM 2391 O MET A 464 14.601 11.313 14.630 1.00 62.32 O ATOM 2392 CB MET A 464 12.406 11.274 12.188 1.00 64.35 C ATOM 2393 CG MET A 464 11.526 11.456 13.430 1.00 61.11 C ATOM 2394 SD MET A 464 9.857 10.812 13.201 1.00 2.50 S ATOM 2395 CE MET A 464 9.201 11.874 11.915 1.00 24.13 C ATOM 0 H MET A 464 14.044 11.038 10.351 1.00 72.12 H new ATOM 0 HA MET A 464 13.959 12.734 12.618 1.00 1.12 H new ATOM 0 HB2 MET A 464 11.980 11.860 11.374 1.00 64.35 H new ATOM 0 HB3 MET A 464 12.364 10.228 11.885 1.00 64.35 H new ATOM 0 HG2 MET A 464 11.992 10.953 14.277 1.00 61.11 H new ATOM 0 HG3 MET A 464 11.471 12.516 13.679 1.00 61.11 H new ATOM 0 HE1 MET A 464 8.146 11.648 11.760 1.00 24.13 H new ATOM 0 HE2 MET A 464 9.309 12.917 12.214 1.00 24.13 H new ATOM 0 HE3 MET A 464 9.749 11.704 10.988 1.00 24.13 H new ATOM 2405 N ASN A 465 15.052 9.684 13.141 1.00 34.21 N ATOM 2406 CA ASN A 465 15.706 8.778 14.088 1.00 31.24 C ATOM 2407 C ASN A 465 17.166 9.243 14.300 1.00 44.25 C ATOM 2408 O ASN A 465 17.504 9.719 15.380 1.00 30.40 O ATOM 2409 CB ASN A 465 15.619 7.312 13.566 1.00 4.51 C ATOM 2410 CG ASN A 465 15.935 6.252 14.624 1.00 10.33 C ATOM 2411 OD1 ASN A 465 16.710 6.470 15.547 1.00 31.53 O ATOM 2412 ND2 ASN A 465 15.364 5.081 14.471 1.00 3.25 N ATOM 0 H ASN A 465 15.026 9.327 12.186 1.00 34.21 H new ATOM 0 HA ASN A 465 15.201 8.803 15.054 1.00 31.24 H new ATOM 0 HB2 ASN A 465 14.616 7.135 13.178 1.00 4.51 H new ATOM 0 HB3 ASN A 465 16.309 7.193 12.731 1.00 4.51 H new ATOM 0 HD21 ASN A 465 15.562 4.327 15.129 1.00 3.25 H new ATOM 0 HD22 ASN A 465 14.722 4.924 13.694 1.00 3.25 H new ATOM 2419 N LYS A 466 18.028 9.093 13.264 1.00 4.23 N ATOM 2420 CA LYS A 466 19.436 9.564 13.305 1.00 21.43 C ATOM 2421 C LYS A 466 19.787 10.497 12.104 1.00 41.33 C ATOM 2422 O LYS A 466 20.344 10.043 11.104 1.00 11.32 O ATOM 2423 CB LYS A 466 20.442 8.364 13.414 1.00 23.32 C ATOM 2424 CG LYS A 466 20.265 7.219 12.369 1.00 2.43 C ATOM 2425 CD LYS A 466 19.239 6.143 12.797 1.00 21.12 C ATOM 2426 CE LYS A 466 19.694 5.357 14.042 1.00 24.14 C ATOM 2427 NZ LYS A 466 18.703 4.316 14.441 1.00 24.32 N ATOM 0 H LYS A 466 17.771 8.646 12.384 1.00 4.23 H new ATOM 0 HA LYS A 466 19.538 10.165 14.209 1.00 21.43 H new ATOM 0 HB2 LYS A 466 21.455 8.757 13.323 1.00 23.32 H new ATOM 0 HB3 LYS A 466 20.355 7.934 14.412 1.00 23.32 H new ATOM 0 HG2 LYS A 466 19.951 7.651 11.419 1.00 2.43 H new ATOM 0 HG3 LYS A 466 21.230 6.742 12.199 1.00 2.43 H new ATOM 0 HD2 LYS A 466 18.281 6.620 13.003 1.00 21.12 H new ATOM 0 HD3 LYS A 466 19.079 5.449 11.972 1.00 21.12 H new ATOM 0 HE2 LYS A 466 20.655 4.884 13.840 1.00 24.14 H new ATOM 0 HE3 LYS A 466 19.847 6.048 14.871 1.00 24.14 H new ATOM 0 HZ1 LYS A 466 19.199 3.514 14.878 1.00 24.32 H new ATOM 0 HZ2 LYS A 466 18.030 4.720 15.123 1.00 24.32 H new ATOM 0 HZ3 LYS A 466 18.187 3.987 13.600 1.00 24.32 H new ATOM 2441 N SER A 467 19.397 11.782 12.165 1.00 14.41 N ATOM 2442 CA SER A 467 19.917 12.798 11.221 1.00 22.30 C ATOM 2443 C SER A 467 21.415 13.079 11.538 1.00 43.30 C ATOM 2444 O SER A 467 21.701 13.772 12.542 1.00 55.35 O ATOM 2445 CB SER A 467 19.067 14.096 11.290 1.00 13.44 C ATOM 2446 OG SER A 467 19.427 15.017 10.272 1.00 51.02 O ATOM 2447 OXT SER A 467 22.290 12.578 10.809 1.00 38.54 O ATOM 0 H SER A 467 18.731 12.143 12.848 1.00 14.41 H new ATOM 0 HA SER A 467 19.843 12.418 10.202 1.00 22.30 H new ATOM 0 HB2 SER A 467 18.011 13.844 11.195 1.00 13.44 H new ATOM 0 HB3 SER A 467 19.197 14.564 12.266 1.00 13.44 H new ATOM 0 HG SER A 467 18.870 15.820 10.346 1.00 51.02 H new TER 2453 SER A 467