USER MOD reduce.3.24.130724 H: found=0, std=0, add=1234, rem=0, adj=50 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= 0.198 K(o=0.45,f=-1.2) USER MOD Set 1.2: A 466 LYS NZ :NH3+ 157:sc= 0.255 (180deg=0) USER MOD Set 2.1: A 439 GLN : amide:sc= -0.488 K(o=-0.49,f=-2.3) USER MOD Set 2.2: A 442 GLN :FLIP amide:sc=-0.000755 F(o=-2.4,f=-0.49) USER MOD Set 3.1: A 79 LYS NZ :NH3+ -173:sc= 0.64 (180deg=-0.0987) USER MOD Set 3.2: A 451 ASN : amide:sc= 0.804 K(o=1.4,f=-5.8!) USER MOD Set 4.1: A 42 GLN :FLIP amide:sc= -0.343 F(o=0.071,f=0.86) USER MOD Set 4.2: A 43 SER OG : rot 79:sc= 1.21 USER MOD Set 5.1: A 18 SER OG : rot -85:sc= 0.238 USER MOD Set 5.2: A 40 TYR OH : rot 8:sc= 1.18 USER MOD Set 5.3: A 71 THR OG1 : rot 95:sc= 0.916 USER MOD Set 5.4: A 74 ASN : amide:sc= -0.281 X(o=2,f=2.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 173:sc= -0.0233 (180deg=-0.0846) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot -124:sc= 0.887 USER MOD Single : A 9 ASN :FLIP amide:sc= -0.0389 F(o=-2!,f=-0.039) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 20 SER OG : rot 77:sc= 1.1 USER MOD Single : A 26 GLN :FLIP amide:sc= -0.571 F(o=-2.2,f=-0.57) USER MOD Single : A 35 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.0017) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 39 SER OG : rot -3:sc= 0.0406 USER MOD Single : A 46 THR OG1 : rot 56:sc= -0.0422 USER MOD Single : A 48 MET CE :methyl -128:sc= -0.204 (180deg=-1.28) USER MOD Single : A 50 LYS NZ :NH3+ -141:sc= 1.03 (180deg=0.163) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 136:sc= 0.396 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -154:sc= -2.12! (180deg=-2.22!) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.0621 K(o=-0.062,f=-2.3!) USER MOD Single : A 76 GLN :FLIP amide:sc= -0.0171 F(o=-0.85,f=-0.017) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.64,f=0) USER MOD Single : A 84 GLN : amide:sc= -0.499 X(o=-0.5,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= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 99 GLN : amide:sc= -0.0848 K(o=-0.085,f=-0.64) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc=0.000969 USER MOD Single : A 428 SER OG : rot 60:sc= 0.337 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+ 173:sc= -0.0131 (180deg=-0.0979) USER MOD Single : A 441 THR OG1 : rot 82:sc= 0.516 USER MOD Single : A 445 THR OG1 : rot 180:sc= 0 USER MOD Single : A 446 MET CE :methyl -120:sc= -0.0739 (180deg=-3.26!) USER MOD Single : A 447 MET CE :methyl -155:sc= -2.99 (180deg=-4.7!) USER MOD Single : A 448 SER OG : rot 180:sc= -0.108 USER MOD Single : A 449 LYS NZ :NH3+ -174:sc= 0.713 (180deg=0.687) USER MOD Single : A 452 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 453 THR OG1 : rot 148:sc= -1.33! USER MOD Single : A 454 SER OG : rot -85:sc= 0.96 USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 TYR OH : rot 180:sc= -0.674 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 460 GLN : amide:sc= 0.0262 X(o=0.026,f=-0.036) USER MOD Single : A 462 THR OG1 : rot 82:sc= 0.851 USER MOD Single : A 464 MET CE :methyl -137:sc= -0.0365 (180deg=-0.934) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.777 21.828 20.881 1.00 61.21 N ATOM 2 CA MET A 1 -0.039 21.602 19.619 1.00 33.44 C ATOM 3 C MET A 1 -0.884 20.725 18.656 1.00 55.41 C ATOM 4 O MET A 1 -0.843 19.487 18.704 1.00 33.31 O ATOM 5 CB MET A 1 1.366 21.004 19.926 1.00 23.55 C ATOM 6 CG MET A 1 1.366 19.762 20.835 1.00 34.33 C ATOM 7 SD MET A 1 3.032 19.196 21.238 1.00 10.44 S ATOM 8 CE MET A 1 2.698 17.764 22.263 1.00 44.11 C ATOM 0 H1 MET A 1 -0.159 22.313 21.562 1.00 61.21 H new ATOM 0 H2 MET A 1 -1.614 22.416 20.693 1.00 61.21 H new ATOM 0 H3 MET A 1 -1.077 20.914 21.276 1.00 61.21 H new ATOM 0 HA MET A 1 0.129 22.550 19.107 1.00 33.44 H new ATOM 0 HB2 MET A 1 1.846 20.744 18.983 1.00 23.55 H new ATOM 0 HB3 MET A 1 1.978 21.776 20.393 1.00 23.55 H new ATOM 0 HG2 MET A 1 0.831 19.991 21.757 1.00 34.33 H new ATOM 0 HG3 MET A 1 0.822 18.956 20.343 1.00 34.33 H new ATOM 0 HE1 MET A 1 3.640 17.317 22.582 1.00 44.11 H new ATOM 0 HE2 MET A 1 2.126 18.069 23.139 1.00 44.11 H new ATOM 0 HE3 MET A 1 2.125 17.034 21.692 1.00 44.11 H new ATOM 20 N THR A 2 -1.674 21.402 17.796 1.00 34.54 N ATOM 21 CA THR A 2 -2.629 20.760 16.867 1.00 42.12 C ATOM 22 C THR A 2 -1.906 19.947 15.769 1.00 70.43 C ATOM 23 O THR A 2 -2.314 18.826 15.446 1.00 4.25 O ATOM 24 CB THR A 2 -3.555 21.834 16.203 1.00 24.14 C ATOM 25 OG1 THR A 2 -2.747 22.845 15.578 1.00 12.51 O ATOM 26 CG2 THR A 2 -4.503 22.500 17.219 1.00 15.24 C ATOM 0 H THR A 2 -1.667 22.420 17.726 1.00 34.54 H new ATOM 0 HA THR A 2 -3.235 20.070 17.455 1.00 42.12 H new ATOM 0 HB THR A 2 -4.169 21.321 15.463 1.00 24.14 H new ATOM 0 HG1 THR A 2 -3.327 23.516 15.161 1.00 12.51 H new ATOM 0 HG21 THR A 2 -5.124 23.237 16.709 1.00 15.24 H new ATOM 0 HG22 THR A 2 -5.140 21.741 17.674 1.00 15.24 H new ATOM 0 HG23 THR A 2 -3.917 22.994 17.994 1.00 15.24 H new ATOM 34 N SER A 3 -0.830 20.535 15.216 1.00 32.30 N ATOM 35 CA SER A 3 -0.008 19.910 14.164 1.00 5.32 C ATOM 36 C SER A 3 0.660 18.612 14.672 1.00 74.10 C ATOM 37 O SER A 3 0.752 17.611 13.944 1.00 44.14 O ATOM 38 CB SER A 3 1.061 20.915 13.684 1.00 72.52 C ATOM 39 OG SER A 3 0.475 22.154 13.311 1.00 71.13 O ATOM 0 H SER A 3 -0.504 21.463 15.488 1.00 32.30 H new ATOM 0 HA SER A 3 -0.655 19.641 13.329 1.00 5.32 H new ATOM 0 HB2 SER A 3 1.790 21.080 14.477 1.00 72.52 H new ATOM 0 HB3 SER A 3 1.602 20.496 12.835 1.00 72.52 H new ATOM 0 HG SER A 3 1.176 22.771 13.013 1.00 71.13 H new ATOM 45 N THR A 4 1.100 18.646 15.938 1.00 22.14 N ATOM 46 CA THR A 4 1.798 17.527 16.575 1.00 40.33 C ATOM 47 C THR A 4 0.835 16.373 16.906 1.00 54.21 C ATOM 48 O THR A 4 1.176 15.210 16.700 1.00 25.24 O ATOM 49 CB THR A 4 2.515 17.989 17.876 1.00 35.32 C ATOM 50 OG1 THR A 4 3.337 19.131 17.597 1.00 3.30 O ATOM 51 CG2 THR A 4 3.377 16.877 18.498 1.00 21.44 C ATOM 0 H THR A 4 0.980 19.454 16.548 1.00 22.14 H new ATOM 0 HA THR A 4 2.540 17.167 15.862 1.00 40.33 H new ATOM 0 HB THR A 4 1.740 18.247 18.598 1.00 35.32 H new ATOM 0 HG1 THR A 4 4.261 18.943 17.865 1.00 3.30 H new ATOM 0 HG21 THR A 4 3.855 17.251 19.403 1.00 21.44 H new ATOM 0 HG22 THR A 4 2.746 16.024 18.747 1.00 21.44 H new ATOM 0 HG23 THR A 4 4.141 16.567 17.785 1.00 21.44 H new ATOM 59 N VAL A 5 -0.369 16.694 17.421 1.00 65.32 N ATOM 60 CA VAL A 5 -1.333 15.657 17.840 1.00 0.33 C ATOM 61 C VAL A 5 -1.895 14.912 16.607 1.00 11.23 C ATOM 62 O VAL A 5 -2.028 13.689 16.640 1.00 40.04 O ATOM 63 CB VAL A 5 -2.492 16.224 18.755 1.00 23.14 C ATOM 64 CG1 VAL A 5 -3.414 17.202 18.005 1.00 60.13 C ATOM 65 CG2 VAL A 5 -3.307 15.080 19.419 1.00 25.13 C ATOM 0 H VAL A 5 -0.694 17.651 17.556 1.00 65.32 H new ATOM 0 HA VAL A 5 -0.787 14.944 18.459 1.00 0.33 H new ATOM 0 HB VAL A 5 -2.007 16.794 19.547 1.00 23.14 H new ATOM 0 HG11 VAL A 5 -4.191 17.560 18.680 1.00 60.13 H new ATOM 0 HG12 VAL A 5 -2.830 18.048 17.643 1.00 60.13 H new ATOM 0 HG13 VAL A 5 -3.875 16.691 17.160 1.00 60.13 H new ATOM 0 HG21 VAL A 5 -4.094 15.507 20.040 1.00 25.13 H new ATOM 0 HG22 VAL A 5 -3.754 14.455 18.646 1.00 25.13 H new ATOM 0 HG23 VAL A 5 -2.645 14.474 20.038 1.00 25.13 H new ATOM 75 N GLU A 6 -2.159 15.650 15.497 1.00 75.30 N ATOM 76 CA GLU A 6 -2.653 15.036 14.242 1.00 43.13 C ATOM 77 C GLU A 6 -1.555 14.157 13.603 1.00 32.51 C ATOM 78 O GLU A 6 -1.848 13.107 13.027 1.00 21.52 O ATOM 79 CB GLU A 6 -3.170 16.113 13.244 1.00 74.21 C ATOM 80 CG GLU A 6 -2.092 17.049 12.667 1.00 20.22 C ATOM 81 CD GLU A 6 -2.643 18.099 11.689 1.00 22.43 C ATOM 82 OE1 GLU A 6 -2.885 19.246 12.107 1.00 75.10 O ATOM 83 OE2 GLU A 6 -2.813 17.785 10.491 1.00 74.22 O ATOM 0 H GLU A 6 -2.038 16.662 15.448 1.00 75.30 H new ATOM 0 HA GLU A 6 -3.500 14.397 14.489 1.00 43.13 H new ATOM 0 HB2 GLU A 6 -3.669 15.608 12.417 1.00 74.21 H new ATOM 0 HB3 GLU A 6 -3.922 16.720 13.748 1.00 74.21 H new ATOM 0 HG2 GLU A 6 -1.589 17.559 13.489 1.00 20.22 H new ATOM 0 HG3 GLU A 6 -1.339 16.449 12.156 1.00 20.22 H new ATOM 90 N PHE A 7 -0.290 14.611 13.729 1.00 14.13 N ATOM 91 CA PHE A 7 0.912 13.826 13.372 1.00 34.14 C ATOM 92 C PHE A 7 0.877 12.438 14.071 1.00 2.34 C ATOM 93 O PHE A 7 0.826 11.410 13.397 1.00 51.40 O ATOM 94 CB PHE A 7 2.170 14.668 13.758 1.00 0.42 C ATOM 95 CG PHE A 7 3.538 13.971 13.714 1.00 22.02 C ATOM 96 CD1 PHE A 7 4.333 13.997 12.569 1.00 53.10 C ATOM 97 CD2 PHE A 7 4.055 13.345 14.851 1.00 32.45 C ATOM 98 CE1 PHE A 7 5.585 13.405 12.558 1.00 31.31 C ATOM 99 CE2 PHE A 7 5.301 12.749 14.828 1.00 41.33 C ATOM 100 CZ PHE A 7 6.068 12.791 13.686 1.00 75.32 C ATOM 0 H PHE A 7 -0.072 15.542 14.085 1.00 14.13 H new ATOM 0 HA PHE A 7 0.946 13.624 12.301 1.00 34.14 H new ATOM 0 HB2 PHE A 7 2.212 15.531 13.094 1.00 0.42 H new ATOM 0 HB3 PHE A 7 2.021 15.050 14.768 1.00 0.42 H new ATOM 0 HD1 PHE A 7 3.967 14.486 11.678 1.00 53.10 H new ATOM 0 HD2 PHE A 7 3.473 13.327 15.760 1.00 32.45 H new ATOM 0 HE1 PHE A 7 6.183 13.427 11.659 1.00 31.31 H new ATOM 0 HE2 PHE A 7 5.675 12.248 15.709 1.00 41.33 H new ATOM 0 HZ PHE A 7 7.050 12.341 13.678 1.00 75.32 H new ATOM 110 N ILE A 8 0.814 12.453 15.420 1.00 22.34 N ATOM 111 CA ILE A 8 0.835 11.240 16.283 1.00 3.10 C ATOM 112 C ILE A 8 -0.311 10.264 15.931 1.00 40.23 C ATOM 113 O ILE A 8 -0.078 9.079 15.663 1.00 23.01 O ATOM 114 CB ILE A 8 0.705 11.655 17.805 1.00 72.41 C ATOM 115 CG1 ILE A 8 1.895 12.568 18.241 1.00 13.54 C ATOM 116 CG2 ILE A 8 0.577 10.420 18.738 1.00 51.11 C ATOM 117 CD1 ILE A 8 1.743 13.208 19.613 1.00 24.02 C ATOM 0 H ILE A 8 0.746 13.320 15.954 1.00 22.34 H new ATOM 0 HA ILE A 8 1.785 10.735 16.108 1.00 3.10 H new ATOM 0 HB ILE A 8 -0.217 12.228 17.904 1.00 72.41 H new ATOM 0 HG12 ILE A 8 2.810 11.976 18.232 1.00 13.54 H new ATOM 0 HG13 ILE A 8 2.019 13.357 17.500 1.00 13.54 H new ATOM 0 HG21 ILE A 8 0.490 10.753 19.772 1.00 51.11 H new ATOM 0 HG22 ILE A 8 -0.310 9.848 18.465 1.00 51.11 H new ATOM 0 HG23 ILE A 8 1.461 9.791 18.632 1.00 51.11 H new ATOM 0 HD11 ILE A 8 2.618 13.822 19.827 1.00 24.02 H new ATOM 0 HD12 ILE A 8 0.849 13.832 19.627 1.00 24.02 H new ATOM 0 HD13 ILE A 8 1.653 12.429 20.370 1.00 24.02 H new ATOM 129 N ASN A 9 -1.540 10.807 15.932 1.00 43.20 N ATOM 130 CA ASN A 9 -2.790 10.033 15.771 1.00 45.03 C ATOM 131 C ASN A 9 -2.844 9.316 14.406 1.00 53.12 C ATOM 132 O ASN A 9 -3.204 8.132 14.325 1.00 64.35 O ATOM 133 CB ASN A 9 -4.026 10.967 15.937 1.00 43.14 C ATOM 134 CG ASN A 9 -4.255 11.517 17.361 1.00 75.32 C ATOM 135 OD1 ASN A 9 -3.198 11.713 18.151 1.00 63.54 O flip ATOM 136 ND2 ASN A 9 -5.393 11.779 17.752 1.00 44.20 N flip ATOM 0 H ASN A 9 -1.699 11.808 16.046 1.00 43.20 H new ATOM 0 HA ASN A 9 -2.810 9.269 16.548 1.00 45.03 H new ATOM 0 HB2 ASN A 9 -3.918 11.809 15.254 1.00 43.14 H new ATOM 0 HB3 ASN A 9 -4.917 10.420 15.630 1.00 43.14 H new ATOM 0 HD21 ASN A 9 -6.192 11.624 17.137 1.00 44.20 H new ATOM 0 HD22 ASN A 9 -5.537 12.151 18.691 1.00 44.20 H new ATOM 143 N ARG A 10 -2.466 10.041 13.336 1.00 60.22 N ATOM 144 CA ARG A 10 -2.512 9.510 11.960 1.00 34.40 C ATOM 145 C ARG A 10 -1.323 8.590 11.670 1.00 33.41 C ATOM 146 O ARG A 10 -1.437 7.714 10.823 1.00 41.41 O ATOM 147 CB ARG A 10 -2.596 10.648 10.925 1.00 73.22 C ATOM 148 CG ARG A 10 -3.862 11.519 11.071 1.00 4.14 C ATOM 149 CD ARG A 10 -3.857 12.718 10.124 1.00 25.41 C ATOM 150 NE ARG A 10 -2.633 13.525 10.274 1.00 74.54 N ATOM 151 CZ ARG A 10 -2.399 14.694 9.673 1.00 32.21 C ATOM 152 NH1 ARG A 10 -3.298 15.243 8.865 1.00 72.32 N ATOM 153 NH2 ARG A 10 -1.249 15.314 9.884 1.00 52.25 N ATOM 0 H ARG A 10 -2.124 11.000 13.399 1.00 60.22 H new ATOM 0 HA ARG A 10 -3.419 8.911 11.874 1.00 34.40 H new ATOM 0 HB2 ARG A 10 -1.715 11.282 11.021 1.00 73.22 H new ATOM 0 HB3 ARG A 10 -2.572 10.220 9.923 1.00 73.22 H new ATOM 0 HG2 ARG A 10 -4.744 10.909 10.876 1.00 4.14 H new ATOM 0 HG3 ARG A 10 -3.940 11.872 12.099 1.00 4.14 H new ATOM 0 HD2 ARG A 10 -3.939 12.369 9.095 1.00 25.41 H new ATOM 0 HD3 ARG A 10 -4.730 13.341 10.320 1.00 25.41 H new ATOM 0 HE ARG A 10 -1.904 13.160 10.888 1.00 74.54 H new ATOM 0 HH11 ARG A 10 -4.186 14.771 8.694 1.00 72.32 H new ATOM 0 HH12 ARG A 10 -3.101 16.137 8.415 1.00 72.32 H new ATOM 0 HH21 ARG A 10 -0.551 14.898 10.501 1.00 52.25 H new ATOM 0 HH22 ARG A 10 -1.060 16.208 9.430 1.00 52.25 H new ATOM 167 N TRP A 11 -0.185 8.781 12.371 1.00 51.05 N ATOM 168 CA TRP A 11 0.935 7.813 12.320 1.00 31.31 C ATOM 169 C TRP A 11 0.521 6.490 12.974 1.00 53.32 C ATOM 170 O TRP A 11 0.953 5.418 12.537 1.00 4.31 O ATOM 171 CB TRP A 11 2.233 8.357 12.995 1.00 11.43 C ATOM 172 CG TRP A 11 3.115 9.171 12.082 1.00 1.34 C ATOM 173 CD1 TRP A 11 3.425 10.487 12.193 1.00 34.42 C ATOM 174 CD2 TRP A 11 3.810 8.700 10.915 1.00 12.22 C ATOM 175 NE1 TRP A 11 4.243 10.870 11.172 1.00 71.22 N ATOM 176 CE2 TRP A 11 4.497 9.800 10.376 1.00 32.50 C ATOM 177 CE3 TRP A 11 3.910 7.465 10.267 1.00 14.12 C ATOM 178 CZ2 TRP A 11 5.275 9.709 9.235 1.00 70.42 C ATOM 179 CZ3 TRP A 11 4.685 7.373 9.128 1.00 23.43 C ATOM 180 CH2 TRP A 11 5.356 8.496 8.622 1.00 20.04 C ATOM 0 H TRP A 11 -0.017 9.587 12.973 1.00 51.05 H new ATOM 0 HA TRP A 11 1.164 7.649 11.267 1.00 31.31 H new ATOM 0 HB2 TRP A 11 1.953 8.970 13.852 1.00 11.43 H new ATOM 0 HB3 TRP A 11 2.808 7.515 13.380 1.00 11.43 H new ATOM 0 HD1 TRP A 11 3.073 11.139 12.979 1.00 34.42 H new ATOM 0 HE1 TRP A 11 4.607 11.812 11.029 1.00 71.22 H new ATOM 0 HE3 TRP A 11 3.391 6.599 10.650 1.00 14.12 H new ATOM 0 HZ2 TRP A 11 5.799 10.569 8.845 1.00 70.42 H new ATOM 0 HZ3 TRP A 11 4.776 6.424 8.620 1.00 23.43 H new ATOM 0 HH2 TRP A 11 5.950 8.396 7.726 1.00 20.04 H new ATOM 191 N GLN A 12 -0.286 6.587 14.054 1.00 43.43 N ATOM 192 CA GLN A 12 -0.853 5.412 14.739 1.00 44.03 C ATOM 193 C GLN A 12 -1.750 4.632 13.774 1.00 3.12 C ATOM 194 O GLN A 12 -1.729 3.395 13.757 1.00 1.32 O ATOM 195 CB GLN A 12 -1.647 5.827 16.005 1.00 61.45 C ATOM 196 CG GLN A 12 -2.169 4.637 16.833 1.00 61.33 C ATOM 197 CD GLN A 12 -3.105 5.024 17.975 1.00 61.51 C ATOM 198 OE1 GLN A 12 -3.820 6.023 17.903 1.00 50.45 O ATOM 199 NE2 GLN A 12 -3.117 4.226 19.035 1.00 34.12 N ATOM 0 H GLN A 12 -0.559 7.477 14.470 1.00 43.43 H new ATOM 0 HA GLN A 12 -0.031 4.772 15.060 1.00 44.03 H new ATOM 0 HB2 GLN A 12 -1.008 6.444 16.637 1.00 61.45 H new ATOM 0 HB3 GLN A 12 -2.492 6.447 15.705 1.00 61.45 H new ATOM 0 HG2 GLN A 12 -2.692 3.949 16.168 1.00 61.33 H new ATOM 0 HG3 GLN A 12 -1.317 4.096 17.245 1.00 61.33 H new ATOM 0 HE21 GLN A 12 -2.512 3.406 19.063 1.00 34.12 H new ATOM 0 HE22 GLN A 12 -3.732 4.433 19.822 1.00 34.12 H new ATOM 208 N ARG A 13 -2.522 5.380 12.956 1.00 43.34 N ATOM 209 CA ARG A 13 -3.308 4.790 11.864 1.00 74.13 C ATOM 210 C ARG A 13 -2.374 4.025 10.903 1.00 21.42 C ATOM 211 O ARG A 13 -2.532 2.835 10.732 1.00 3.23 O ATOM 212 CB ARG A 13 -4.111 5.867 11.087 1.00 60.04 C ATOM 213 CG ARG A 13 -5.071 6.711 11.948 1.00 35.54 C ATOM 214 CD ARG A 13 -6.117 5.878 12.701 1.00 74.13 C ATOM 215 NE ARG A 13 -7.014 6.739 13.491 1.00 23.34 N ATOM 216 CZ ARG A 13 -7.316 6.580 14.789 1.00 34.52 C ATOM 217 NH1 ARG A 13 -6.803 5.576 15.497 1.00 63.33 N ATOM 218 NH2 ARG A 13 -8.150 7.429 15.366 1.00 12.42 N ATOM 0 H ARG A 13 -2.614 6.393 13.036 1.00 43.34 H new ATOM 0 HA ARG A 13 -4.027 4.098 12.303 1.00 74.13 H new ATOM 0 HB2 ARG A 13 -3.407 6.536 10.592 1.00 60.04 H new ATOM 0 HB3 ARG A 13 -4.687 5.374 10.304 1.00 60.04 H new ATOM 0 HG2 ARG A 13 -4.489 7.285 12.669 1.00 35.54 H new ATOM 0 HG3 ARG A 13 -5.583 7.429 11.308 1.00 35.54 H new ATOM 0 HD2 ARG A 13 -6.702 5.294 11.990 1.00 74.13 H new ATOM 0 HD3 ARG A 13 -5.616 5.169 13.360 1.00 74.13 H new ATOM 0 HE ARG A 13 -7.445 7.527 13.008 1.00 23.34 H new ATOM 0 HH11 ARG A 13 -6.169 4.911 15.054 1.00 63.33 H new ATOM 0 HH12 ARG A 13 -7.044 5.471 16.483 1.00 63.33 H new ATOM 0 HH21 ARG A 13 -8.555 8.193 14.825 1.00 12.42 H new ATOM 0 HH22 ARG A 13 -8.388 7.320 16.352 1.00 12.42 H new ATOM 232 N ILE A 14 -1.348 4.727 10.373 1.00 52.24 N ATOM 233 CA ILE A 14 -0.390 4.186 9.371 1.00 11.11 C ATOM 234 C ILE A 14 0.235 2.840 9.837 1.00 4.34 C ATOM 235 O ILE A 14 0.214 1.850 9.101 1.00 60.31 O ATOM 236 CB ILE A 14 0.740 5.260 9.068 1.00 3.24 C ATOM 237 CG1 ILE A 14 0.127 6.540 8.423 1.00 43.42 C ATOM 238 CG2 ILE A 14 1.869 4.703 8.174 1.00 12.24 C ATOM 239 CD1 ILE A 14 1.074 7.725 8.297 1.00 22.34 C ATOM 0 H ILE A 14 -1.156 5.696 10.629 1.00 52.24 H new ATOM 0 HA ILE A 14 -0.941 3.981 8.453 1.00 11.11 H new ATOM 0 HB ILE A 14 1.187 5.518 10.028 1.00 3.24 H new ATOM 0 HG12 ILE A 14 -0.242 6.285 7.430 1.00 43.42 H new ATOM 0 HG13 ILE A 14 -0.735 6.847 9.015 1.00 43.42 H new ATOM 0 HG21 ILE A 14 2.613 5.481 8.000 1.00 12.24 H new ATOM 0 HG22 ILE A 14 2.340 3.854 8.670 1.00 12.24 H new ATOM 0 HG23 ILE A 14 1.452 4.380 7.220 1.00 12.24 H new ATOM 0 HD11 ILE A 14 0.550 8.562 7.837 1.00 22.34 H new ATOM 0 HD12 ILE A 14 1.425 8.017 9.287 1.00 22.34 H new ATOM 0 HD13 ILE A 14 1.926 7.446 7.677 1.00 22.34 H new ATOM 251 N ALA A 15 0.716 2.808 11.090 1.00 43.23 N ATOM 252 CA ALA A 15 1.402 1.634 11.670 1.00 44.13 C ATOM 253 C ALA A 15 0.447 0.428 11.851 1.00 40.43 C ATOM 254 O ALA A 15 0.746 -0.694 11.409 1.00 65.43 O ATOM 255 CB ALA A 15 2.036 2.022 13.012 1.00 45.03 C ATOM 0 H ALA A 15 0.642 3.596 11.734 1.00 43.23 H new ATOM 0 HA ALA A 15 2.179 1.321 10.972 1.00 44.13 H new ATOM 0 HB1 ALA A 15 2.542 1.156 13.439 1.00 45.03 H new ATOM 0 HB2 ALA A 15 2.758 2.823 12.855 1.00 45.03 H new ATOM 0 HB3 ALA A 15 1.259 2.363 13.696 1.00 45.03 H new ATOM 261 N LEU A 16 -0.708 0.680 12.496 1.00 44.14 N ATOM 262 CA LEU A 16 -1.691 -0.374 12.830 1.00 14.45 C ATOM 263 C LEU A 16 -2.417 -0.897 11.576 1.00 61.34 C ATOM 264 O LEU A 16 -2.748 -2.085 11.500 1.00 23.12 O ATOM 265 CB LEU A 16 -2.716 0.152 13.871 1.00 61.45 C ATOM 266 CG LEU A 16 -2.129 0.541 15.269 1.00 54.43 C ATOM 267 CD1 LEU A 16 -3.217 1.151 16.180 1.00 30.21 C ATOM 268 CD2 LEU A 16 -1.432 -0.666 15.945 1.00 40.42 C ATOM 0 H LEU A 16 -0.987 1.613 12.800 1.00 44.14 H new ATOM 0 HA LEU A 16 -1.142 -1.210 13.264 1.00 14.45 H new ATOM 0 HB2 LEU A 16 -3.215 1.026 13.452 1.00 61.45 H new ATOM 0 HB3 LEU A 16 -3.480 -0.611 14.018 1.00 61.45 H new ATOM 0 HG LEU A 16 -1.369 1.305 15.108 1.00 54.43 H new ATOM 0 HD11 LEU A 16 -2.780 1.411 17.144 1.00 30.21 H new ATOM 0 HD12 LEU A 16 -3.623 2.047 15.712 1.00 30.21 H new ATOM 0 HD13 LEU A 16 -4.016 0.425 16.328 1.00 30.21 H new ATOM 0 HD21 LEU A 16 -1.036 -0.362 16.914 1.00 40.42 H new ATOM 0 HD22 LEU A 16 -2.153 -1.471 16.085 1.00 40.42 H new ATOM 0 HD23 LEU A 16 -0.616 -1.016 15.313 1.00 40.42 H new ATOM 280 N LEU A 17 -2.648 0.003 10.600 1.00 1.45 N ATOM 281 CA LEU A 17 -3.321 -0.340 9.336 1.00 24.04 C ATOM 282 C LEU A 17 -2.422 -1.240 8.504 1.00 73.04 C ATOM 283 O LEU A 17 -2.848 -2.324 8.143 1.00 1.33 O ATOM 284 CB LEU A 17 -3.737 0.926 8.528 1.00 23.03 C ATOM 285 CG LEU A 17 -4.904 1.760 9.142 1.00 73.54 C ATOM 286 CD1 LEU A 17 -5.141 3.063 8.352 1.00 45.52 C ATOM 287 CD2 LEU A 17 -6.186 0.912 9.248 1.00 20.10 C ATOM 0 H LEU A 17 -2.374 0.983 10.667 1.00 1.45 H new ATOM 0 HA LEU A 17 -4.240 -0.873 9.580 1.00 24.04 H new ATOM 0 HB2 LEU A 17 -2.866 1.573 8.426 1.00 23.03 H new ATOM 0 HB3 LEU A 17 -4.024 0.616 7.523 1.00 23.03 H new ATOM 0 HG LEU A 17 -4.617 2.050 10.153 1.00 73.54 H new ATOM 0 HD11 LEU A 17 -5.960 3.620 8.806 1.00 45.52 H new ATOM 0 HD12 LEU A 17 -4.236 3.670 8.371 1.00 45.52 H new ATOM 0 HD13 LEU A 17 -5.395 2.822 7.320 1.00 45.52 H new ATOM 0 HD21 LEU A 17 -6.986 1.514 9.679 1.00 20.10 H new ATOM 0 HD22 LEU A 17 -6.481 0.573 8.255 1.00 20.10 H new ATOM 0 HD23 LEU A 17 -5.999 0.048 9.885 1.00 20.10 H new ATOM 299 N SER A 18 -1.160 -0.803 8.265 1.00 64.03 N ATOM 300 CA SER A 18 -0.176 -1.571 7.462 1.00 54.44 C ATOM 301 C SER A 18 -0.001 -2.994 8.009 1.00 2.41 C ATOM 302 O SER A 18 0.062 -3.951 7.243 1.00 72.21 O ATOM 303 CB SER A 18 1.192 -0.870 7.441 1.00 22.34 C ATOM 304 OG SER A 18 1.674 -0.648 8.752 1.00 23.20 O ATOM 0 H SER A 18 -0.799 0.083 8.620 1.00 64.03 H new ATOM 0 HA SER A 18 -0.568 -1.624 6.446 1.00 54.44 H new ATOM 0 HB2 SER A 18 1.907 -1.478 6.886 1.00 22.34 H new ATOM 0 HB3 SER A 18 1.108 0.081 6.916 1.00 22.34 H new ATOM 0 HG SER A 18 1.299 0.187 9.101 1.00 23.20 H new ATOM 310 N GLN A 19 0.071 -3.086 9.349 1.00 71.11 N ATOM 311 CA GLN A 19 0.140 -4.355 10.089 1.00 4.45 C ATOM 312 C GLN A 19 -1.064 -5.269 9.760 1.00 55.34 C ATOM 313 O GLN A 19 -0.887 -6.408 9.294 1.00 23.33 O ATOM 314 CB GLN A 19 0.202 -4.032 11.607 1.00 14.12 C ATOM 315 CG GLN A 19 0.379 -5.241 12.544 1.00 15.20 C ATOM 316 CD GLN A 19 0.467 -4.872 14.033 1.00 53.44 C ATOM 317 OE1 GLN A 19 -0.254 -3.834 14.460 1.00 45.11 O flip ATOM 318 NE2 GLN A 19 1.156 -5.541 14.809 1.00 73.32 N flip ATOM 0 H GLN A 19 0.083 -2.266 9.956 1.00 71.11 H new ATOM 0 HA GLN A 19 1.035 -4.902 9.791 1.00 4.45 H new ATOM 0 HB2 GLN A 19 1.027 -3.340 11.778 1.00 14.12 H new ATOM 0 HB3 GLN A 19 -0.714 -3.511 11.886 1.00 14.12 H new ATOM 0 HG2 GLN A 19 -0.457 -5.925 12.399 1.00 15.20 H new ATOM 0 HG3 GLN A 19 1.284 -5.778 12.260 1.00 15.20 H new ATOM 0 HE21 GLN A 19 1.699 -6.330 14.458 1.00 73.32 H new ATOM 0 HE22 GLN A 19 1.183 -5.304 15.801 1.00 73.32 H new ATOM 327 N SER A 20 -2.281 -4.720 9.953 1.00 50.34 N ATOM 328 CA SER A 20 -3.544 -5.462 9.773 1.00 64.23 C ATOM 329 C SER A 20 -3.740 -5.923 8.314 1.00 54.51 C ATOM 330 O SER A 20 -3.968 -7.106 8.062 1.00 33.43 O ATOM 331 CB SER A 20 -4.747 -4.595 10.216 1.00 52.21 C ATOM 332 OG SER A 20 -4.608 -4.175 11.565 1.00 35.45 O ATOM 0 H SER A 20 -2.415 -3.750 10.238 1.00 50.34 H new ATOM 0 HA SER A 20 -3.487 -6.352 10.399 1.00 64.23 H new ATOM 0 HB2 SER A 20 -4.828 -3.723 9.567 1.00 52.21 H new ATOM 0 HB3 SER A 20 -5.670 -5.164 10.103 1.00 52.21 H new ATOM 0 HG SER A 20 -3.963 -3.439 11.614 1.00 35.45 H new ATOM 338 N LEU A 21 -3.619 -4.972 7.361 1.00 14.22 N ATOM 339 CA LEU A 21 -3.861 -5.224 5.930 1.00 12.22 C ATOM 340 C LEU A 21 -2.766 -6.117 5.327 1.00 24.14 C ATOM 341 O LEU A 21 -3.020 -6.813 4.347 1.00 64.44 O ATOM 342 CB LEU A 21 -4.073 -3.882 5.137 1.00 50.33 C ATOM 343 CG LEU A 21 -2.907 -2.820 5.111 1.00 0.45 C ATOM 344 CD1 LEU A 21 -1.762 -3.197 4.167 1.00 22.43 C ATOM 345 CD2 LEU A 21 -3.421 -1.397 4.776 1.00 45.13 C ATOM 0 H LEU A 21 -3.351 -4.010 7.566 1.00 14.22 H new ATOM 0 HA LEU A 21 -4.794 -5.780 5.836 1.00 12.22 H new ATOM 0 HB2 LEU A 21 -4.305 -4.142 4.104 1.00 50.33 H new ATOM 0 HB3 LEU A 21 -4.956 -3.392 5.548 1.00 50.33 H new ATOM 0 HG LEU A 21 -2.506 -2.818 6.124 1.00 0.45 H new ATOM 0 HD11 LEU A 21 -0.995 -2.423 4.198 1.00 22.43 H new ATOM 0 HD12 LEU A 21 -1.331 -4.148 4.479 1.00 22.43 H new ATOM 0 HD13 LEU A 21 -2.144 -3.288 3.150 1.00 22.43 H new ATOM 0 HD21 LEU A 21 -2.583 -0.700 4.769 1.00 45.13 H new ATOM 0 HD22 LEU A 21 -3.896 -1.403 3.795 1.00 45.13 H new ATOM 0 HD23 LEU A 21 -4.146 -1.086 5.528 1.00 45.13 H new ATOM 357 N LEU A 22 -1.553 -6.096 5.931 1.00 74.32 N ATOM 358 CA LEU A 22 -0.471 -7.031 5.562 1.00 2.41 C ATOM 359 C LEU A 22 -0.934 -8.461 5.821 1.00 65.25 C ATOM 360 O LEU A 22 -0.818 -9.326 4.949 1.00 55.52 O ATOM 361 CB LEU A 22 0.843 -6.776 6.356 1.00 11.12 C ATOM 362 CG LEU A 22 1.984 -7.819 6.104 1.00 43.44 C ATOM 363 CD1 LEU A 22 2.465 -7.796 4.638 1.00 43.34 C ATOM 364 CD2 LEU A 22 3.145 -7.651 7.102 1.00 74.11 C ATOM 0 H LEU A 22 -1.303 -5.442 6.673 1.00 74.32 H new ATOM 0 HA LEU A 22 -0.253 -6.871 4.506 1.00 2.41 H new ATOM 0 HB2 LEU A 22 1.216 -5.784 6.102 1.00 11.12 H new ATOM 0 HB3 LEU A 22 0.610 -6.766 7.421 1.00 11.12 H new ATOM 0 HG LEU A 22 1.562 -8.808 6.281 1.00 43.44 H new ATOM 0 HD11 LEU A 22 3.257 -8.533 4.503 1.00 43.34 H new ATOM 0 HD12 LEU A 22 1.631 -8.034 3.978 1.00 43.34 H new ATOM 0 HD13 LEU A 22 2.848 -6.804 4.396 1.00 43.34 H new ATOM 0 HD21 LEU A 22 3.915 -8.393 6.893 1.00 74.11 H new ATOM 0 HD22 LEU A 22 3.568 -6.651 7.003 1.00 74.11 H new ATOM 0 HD23 LEU A 22 2.775 -7.789 8.118 1.00 74.11 H new ATOM 376 N GLU A 23 -1.464 -8.681 7.039 1.00 52.34 N ATOM 377 CA GLU A 23 -2.022 -9.977 7.447 1.00 20.52 C ATOM 378 C GLU A 23 -3.154 -10.399 6.495 1.00 4.10 C ATOM 379 O GLU A 23 -3.179 -11.532 6.044 1.00 14.41 O ATOM 380 CB GLU A 23 -2.529 -9.909 8.902 1.00 64.42 C ATOM 381 CG GLU A 23 -1.450 -9.536 9.932 1.00 11.02 C ATOM 382 CD GLU A 23 -2.016 -9.392 11.346 1.00 14.54 C ATOM 383 OE1 GLU A 23 -1.823 -10.303 12.183 1.00 43.24 O ATOM 384 OE2 GLU A 23 -2.683 -8.377 11.622 1.00 12.33 O ATOM 0 H GLU A 23 -1.516 -7.965 7.764 1.00 52.34 H new ATOM 0 HA GLU A 23 -1.234 -10.728 7.393 1.00 20.52 H new ATOM 0 HB2 GLU A 23 -3.337 -9.179 8.959 1.00 64.42 H new ATOM 0 HB3 GLU A 23 -2.953 -10.876 9.172 1.00 64.42 H new ATOM 0 HG2 GLU A 23 -0.672 -10.299 9.931 1.00 11.02 H new ATOM 0 HG3 GLU A 23 -0.978 -8.599 9.636 1.00 11.02 H new ATOM 391 N LEU A 24 -4.035 -9.437 6.152 1.00 42.13 N ATOM 392 CA LEU A 24 -5.185 -9.651 5.243 1.00 50.22 C ATOM 393 C LEU A 24 -4.716 -10.018 3.812 1.00 53.03 C ATOM 394 O LEU A 24 -5.359 -10.819 3.135 1.00 23.13 O ATOM 395 CB LEU A 24 -6.082 -8.378 5.234 1.00 23.23 C ATOM 396 CG LEU A 24 -6.690 -7.971 6.620 1.00 23.33 C ATOM 397 CD1 LEU A 24 -7.359 -6.575 6.567 1.00 32.53 C ATOM 398 CD2 LEU A 24 -7.660 -9.055 7.143 1.00 61.45 C ATOM 0 H LEU A 24 -3.970 -8.480 6.500 1.00 42.13 H new ATOM 0 HA LEU A 24 -5.770 -10.494 5.610 1.00 50.22 H new ATOM 0 HB2 LEU A 24 -5.493 -7.542 4.856 1.00 23.23 H new ATOM 0 HB3 LEU A 24 -6.900 -8.536 4.531 1.00 23.23 H new ATOM 0 HG LEU A 24 -5.867 -7.898 7.331 1.00 23.33 H new ATOM 0 HD11 LEU A 24 -7.768 -6.330 7.547 1.00 32.53 H new ATOM 0 HD12 LEU A 24 -6.618 -5.827 6.286 1.00 32.53 H new ATOM 0 HD13 LEU A 24 -8.163 -6.584 5.831 1.00 32.53 H new ATOM 0 HD21 LEU A 24 -8.066 -8.746 8.106 1.00 61.45 H new ATOM 0 HD22 LEU A 24 -8.475 -9.188 6.431 1.00 61.45 H new ATOM 0 HD23 LEU A 24 -7.124 -9.997 7.261 1.00 61.45 H new ATOM 410 N ALA A 25 -3.574 -9.444 3.385 1.00 41.40 N ATOM 411 CA ALA A 25 -2.949 -9.741 2.077 1.00 23.54 C ATOM 412 C ALA A 25 -2.352 -11.163 2.059 1.00 72.35 C ATOM 413 O ALA A 25 -2.464 -11.886 1.061 1.00 13.32 O ATOM 414 CB ALA A 25 -1.866 -8.698 1.749 1.00 14.11 C ATOM 0 H ALA A 25 -3.057 -8.760 3.937 1.00 41.40 H new ATOM 0 HA ALA A 25 -3.724 -9.691 1.313 1.00 23.54 H new ATOM 0 HB1 ALA A 25 -1.417 -8.931 0.784 1.00 14.11 H new ATOM 0 HB2 ALA A 25 -2.316 -7.706 1.709 1.00 14.11 H new ATOM 0 HB3 ALA A 25 -1.097 -8.717 2.521 1.00 14.11 H new ATOM 420 N GLN A 26 -1.729 -11.549 3.189 1.00 53.13 N ATOM 421 CA GLN A 26 -1.156 -12.899 3.392 1.00 55.33 C ATOM 422 C GLN A 26 -2.273 -13.956 3.478 1.00 5.31 C ATOM 423 O GLN A 26 -2.104 -15.097 3.038 1.00 35.33 O ATOM 424 CB GLN A 26 -0.303 -12.920 4.690 1.00 64.24 C ATOM 425 CG GLN A 26 0.919 -11.983 4.667 1.00 32.15 C ATOM 426 CD GLN A 26 1.672 -11.938 5.995 1.00 23.41 C ATOM 427 OE1 GLN A 26 1.280 -11.029 6.872 1.00 32.02 O flip ATOM 428 NE2 GLN A 26 2.585 -12.724 6.237 1.00 54.40 N flip ATOM 0 H GLN A 26 -1.607 -10.932 3.992 1.00 53.13 H new ATOM 0 HA GLN A 26 -0.520 -13.139 2.540 1.00 55.33 H new ATOM 0 HB2 GLN A 26 -0.939 -12.646 5.532 1.00 64.24 H new ATOM 0 HB3 GLN A 26 0.040 -13.939 4.868 1.00 64.24 H new ATOM 0 HG2 GLN A 26 1.602 -12.307 3.881 1.00 32.15 H new ATOM 0 HG3 GLN A 26 0.591 -10.976 4.409 1.00 32.15 H new ATOM 0 HE21 GLN A 26 2.863 -13.413 5.539 1.00 54.40 H new ATOM 0 HE22 GLN A 26 3.065 -12.687 7.136 1.00 54.40 H new ATOM 437 N ARG A 27 -3.409 -13.536 4.055 1.00 21.12 N ATOM 438 CA ARG A 27 -4.617 -14.361 4.210 1.00 32.14 C ATOM 439 C ARG A 27 -5.367 -14.483 2.866 1.00 63.04 C ATOM 440 O ARG A 27 -6.065 -15.472 2.629 1.00 3.21 O ATOM 441 CB ARG A 27 -5.542 -13.727 5.283 1.00 73.33 C ATOM 442 CG ARG A 27 -5.050 -13.847 6.746 1.00 32.12 C ATOM 443 CD ARG A 27 -5.154 -15.274 7.290 1.00 12.04 C ATOM 444 NE ARG A 27 -6.551 -15.765 7.239 1.00 72.42 N ATOM 445 CZ ARG A 27 -7.145 -16.544 8.158 1.00 63.02 C ATOM 446 NH1 ARG A 27 -6.493 -16.937 9.247 1.00 42.33 N ATOM 447 NH2 ARG A 27 -8.406 -16.918 7.980 1.00 74.12 N ATOM 0 H ARG A 27 -3.516 -12.595 4.434 1.00 21.12 H new ATOM 0 HA ARG A 27 -4.324 -15.361 4.530 1.00 32.14 H new ATOM 0 HB2 ARG A 27 -5.671 -12.671 5.047 1.00 73.33 H new ATOM 0 HB3 ARG A 27 -6.525 -14.192 5.210 1.00 73.33 H new ATOM 0 HG2 ARG A 27 -4.013 -13.515 6.805 1.00 32.12 H new ATOM 0 HG3 ARG A 27 -5.635 -13.178 7.378 1.00 32.12 H new ATOM 0 HD2 ARG A 27 -4.512 -15.936 6.709 1.00 12.04 H new ATOM 0 HD3 ARG A 27 -4.793 -15.302 8.318 1.00 12.04 H new ATOM 0 HE ARG A 27 -7.112 -15.487 6.434 1.00 72.42 H new ATOM 0 HH11 ARG A 27 -5.526 -16.647 9.395 1.00 42.33 H new ATOM 0 HH12 ARG A 27 -6.959 -17.529 9.935 1.00 42.33 H new ATOM 0 HH21 ARG A 27 -8.916 -16.614 7.151 1.00 74.12 H new ATOM 0 HH22 ARG A 27 -8.865 -17.510 8.673 1.00 74.12 H new ATOM 461 N GLY A 28 -5.185 -13.472 1.994 1.00 52.55 N ATOM 462 CA GLY A 28 -5.785 -13.448 0.657 1.00 23.04 C ATOM 463 C GLY A 28 -7.025 -12.561 0.561 1.00 75.23 C ATOM 464 O GLY A 28 -7.593 -12.422 -0.521 1.00 71.20 O ATOM 0 H GLY A 28 -4.616 -12.651 2.203 1.00 52.55 H new ATOM 0 HA2 GLY A 28 -5.042 -13.099 -0.060 1.00 23.04 H new ATOM 0 HA3 GLY A 28 -6.052 -14.465 0.369 1.00 23.04 H new ATOM 468 N GLU A 29 -7.456 -11.969 1.692 1.00 25.15 N ATOM 469 CA GLU A 29 -8.613 -11.053 1.732 1.00 51.10 C ATOM 470 C GLU A 29 -8.244 -9.704 1.094 1.00 12.23 C ATOM 471 O GLU A 29 -7.738 -8.794 1.766 1.00 34.21 O ATOM 472 CB GLU A 29 -9.148 -10.860 3.183 1.00 43.53 C ATOM 473 CG GLU A 29 -9.980 -12.039 3.737 1.00 4.42 C ATOM 474 CD GLU A 29 -9.171 -13.312 4.019 1.00 4.21 C ATOM 475 OE1 GLU A 29 -9.010 -14.153 3.111 1.00 54.14 O ATOM 476 OE2 GLU A 29 -8.711 -13.490 5.166 1.00 50.23 O ATOM 0 H GLU A 29 -7.014 -12.111 2.600 1.00 25.15 H new ATOM 0 HA GLU A 29 -9.419 -11.504 1.153 1.00 51.10 H new ATOM 0 HB2 GLU A 29 -8.300 -10.690 3.847 1.00 43.53 H new ATOM 0 HB3 GLU A 29 -9.760 -9.959 3.211 1.00 43.53 H new ATOM 0 HG2 GLU A 29 -10.467 -11.722 4.659 1.00 4.42 H new ATOM 0 HG3 GLU A 29 -10.770 -12.276 3.024 1.00 4.42 H new ATOM 483 N TRP A 30 -8.481 -9.620 -0.222 1.00 52.44 N ATOM 484 CA TRP A 30 -8.181 -8.437 -1.033 1.00 55.41 C ATOM 485 C TRP A 30 -9.204 -7.326 -0.783 1.00 64.52 C ATOM 486 O TRP A 30 -8.857 -6.152 -0.826 1.00 52.05 O ATOM 487 CB TRP A 30 -8.131 -8.812 -2.534 1.00 60.14 C ATOM 488 CG TRP A 30 -7.228 -9.996 -2.846 1.00 72.03 C ATOM 489 CD1 TRP A 30 -7.560 -11.128 -3.544 1.00 31.52 C ATOM 490 CD2 TRP A 30 -5.857 -10.175 -2.444 1.00 65.13 C ATOM 491 NE1 TRP A 30 -6.486 -11.976 -3.609 1.00 13.24 N ATOM 492 CE2 TRP A 30 -5.434 -11.417 -2.944 1.00 34.20 C ATOM 493 CE3 TRP A 30 -4.950 -9.408 -1.713 1.00 23.35 C ATOM 494 CZ2 TRP A 30 -4.151 -11.903 -2.740 1.00 42.40 C ATOM 495 CZ3 TRP A 30 -3.678 -9.888 -1.514 1.00 25.02 C ATOM 496 CH2 TRP A 30 -3.288 -11.124 -2.023 1.00 23.33 C ATOM 0 H TRP A 30 -8.892 -10.384 -0.759 1.00 52.44 H new ATOM 0 HA TRP A 30 -7.202 -8.060 -0.738 1.00 55.41 H new ATOM 0 HB2 TRP A 30 -9.141 -9.039 -2.875 1.00 60.14 H new ATOM 0 HB3 TRP A 30 -7.789 -7.947 -3.103 1.00 60.14 H new ATOM 0 HD1 TRP A 30 -8.529 -11.323 -3.980 1.00 31.52 H new ATOM 0 HE1 TRP A 30 -6.475 -12.881 -4.080 1.00 13.24 H new ATOM 0 HE3 TRP A 30 -5.243 -8.450 -1.309 1.00 23.35 H new ATOM 0 HZ2 TRP A 30 -3.846 -12.861 -3.133 1.00 42.40 H new ATOM 0 HZ3 TRP A 30 -2.969 -9.297 -0.954 1.00 25.02 H new ATOM 0 HH2 TRP A 30 -2.282 -11.474 -1.847 1.00 23.33 H new ATOM 507 N ASP A 31 -10.461 -7.714 -0.507 1.00 30.25 N ATOM 508 CA ASP A 31 -11.538 -6.765 -0.146 1.00 61.35 C ATOM 509 C ASP A 31 -11.171 -5.989 1.126 1.00 64.14 C ATOM 510 O ASP A 31 -11.275 -4.758 1.176 1.00 14.45 O ATOM 511 CB ASP A 31 -12.881 -7.513 0.063 1.00 1.44 C ATOM 512 CG ASP A 31 -13.451 -8.083 -1.242 1.00 71.23 C ATOM 513 OD1 ASP A 31 -13.246 -9.279 -1.530 1.00 44.25 O ATOM 514 OD2 ASP A 31 -14.076 -7.318 -2.004 1.00 33.03 O ATOM 0 H ASP A 31 -10.762 -8.688 -0.527 1.00 30.25 H new ATOM 0 HA ASP A 31 -11.654 -6.059 -0.969 1.00 61.35 H new ATOM 0 HB2 ASP A 31 -12.733 -8.325 0.775 1.00 1.44 H new ATOM 0 HB3 ASP A 31 -13.607 -6.831 0.504 1.00 1.44 H new ATOM 519 N LEU A 32 -10.710 -6.736 2.137 1.00 4.23 N ATOM 520 CA LEU A 32 -10.327 -6.173 3.438 1.00 12.01 C ATOM 521 C LEU A 32 -9.007 -5.383 3.328 1.00 60.03 C ATOM 522 O LEU A 32 -8.836 -4.372 4.006 1.00 62.44 O ATOM 523 CB LEU A 32 -10.234 -7.302 4.494 1.00 73.34 C ATOM 524 CG LEU A 32 -11.537 -8.130 4.728 1.00 12.32 C ATOM 525 CD1 LEU A 32 -11.338 -9.174 5.850 1.00 73.14 C ATOM 526 CD2 LEU A 32 -12.749 -7.212 5.014 1.00 2.34 C ATOM 0 H LEU A 32 -10.592 -7.747 2.076 1.00 4.23 H new ATOM 0 HA LEU A 32 -11.095 -5.470 3.761 1.00 12.01 H new ATOM 0 HB2 LEU A 32 -9.441 -7.987 4.195 1.00 73.34 H new ATOM 0 HB3 LEU A 32 -9.933 -6.860 5.444 1.00 73.34 H new ATOM 0 HG LEU A 32 -11.754 -8.672 3.808 1.00 12.32 H new ATOM 0 HD11 LEU A 32 -12.261 -9.736 5.992 1.00 73.14 H new ATOM 0 HD12 LEU A 32 -10.536 -9.858 5.573 1.00 73.14 H new ATOM 0 HD13 LEU A 32 -11.077 -8.665 6.778 1.00 73.14 H new ATOM 0 HD21 LEU A 32 -13.638 -7.822 5.172 1.00 2.34 H new ATOM 0 HD22 LEU A 32 -12.553 -6.618 5.907 1.00 2.34 H new ATOM 0 HD23 LEU A 32 -12.911 -6.548 4.165 1.00 2.34 H new ATOM 538 N LEU A 33 -8.096 -5.854 2.452 1.00 14.35 N ATOM 539 CA LEU A 33 -6.836 -5.147 2.111 1.00 0.45 C ATOM 540 C LEU A 33 -7.129 -3.718 1.584 1.00 41.55 C ATOM 541 O LEU A 33 -6.575 -2.730 2.086 1.00 55.42 O ATOM 542 CB LEU A 33 -6.043 -5.958 1.040 1.00 34.25 C ATOM 543 CG LEU A 33 -4.691 -5.335 0.554 1.00 34.15 C ATOM 544 CD1 LEU A 33 -3.661 -5.269 1.691 1.00 73.44 C ATOM 545 CD2 LEU A 33 -4.124 -6.093 -0.660 1.00 54.34 C ATOM 0 H LEU A 33 -8.210 -6.739 1.957 1.00 14.35 H new ATOM 0 HA LEU A 33 -6.235 -5.062 3.016 1.00 0.45 H new ATOM 0 HB2 LEU A 33 -5.836 -6.948 1.446 1.00 34.25 H new ATOM 0 HB3 LEU A 33 -6.687 -6.097 0.171 1.00 34.25 H new ATOM 0 HG LEU A 33 -4.903 -4.314 0.238 1.00 34.15 H new ATOM 0 HD11 LEU A 33 -2.735 -4.831 1.318 1.00 73.44 H new ATOM 0 HD12 LEU A 33 -4.052 -4.654 2.501 1.00 73.44 H new ATOM 0 HD13 LEU A 33 -3.463 -6.275 2.062 1.00 73.44 H new ATOM 0 HD21 LEU A 33 -3.186 -5.633 -0.970 1.00 54.34 H new ATOM 0 HD22 LEU A 33 -3.946 -7.134 -0.389 1.00 54.34 H new ATOM 0 HD23 LEU A 33 -4.838 -6.050 -1.482 1.00 54.34 H new ATOM 557 N LEU A 34 -8.044 -3.643 0.597 1.00 73.41 N ATOM 558 CA LEU A 34 -8.442 -2.392 -0.086 1.00 41.24 C ATOM 559 C LEU A 34 -9.282 -1.481 0.833 1.00 71.04 C ATOM 560 O LEU A 34 -9.297 -0.253 0.664 1.00 62.42 O ATOM 561 CB LEU A 34 -9.238 -2.739 -1.372 1.00 2.03 C ATOM 562 CG LEU A 34 -8.460 -3.547 -2.461 1.00 24.33 C ATOM 563 CD1 LEU A 34 -9.403 -4.011 -3.593 1.00 30.43 C ATOM 564 CD2 LEU A 34 -7.253 -2.745 -3.003 1.00 32.51 C ATOM 0 H LEU A 34 -8.537 -4.464 0.245 1.00 73.41 H new ATOM 0 HA LEU A 34 -7.537 -1.843 -0.348 1.00 41.24 H new ATOM 0 HB2 LEU A 34 -10.121 -3.310 -1.086 1.00 2.03 H new ATOM 0 HB3 LEU A 34 -9.590 -1.810 -1.820 1.00 2.03 H new ATOM 0 HG LEU A 34 -8.060 -4.444 -1.989 1.00 24.33 H new ATOM 0 HD11 LEU A 34 -8.833 -4.570 -4.335 1.00 30.43 H new ATOM 0 HD12 LEU A 34 -10.183 -4.649 -3.178 1.00 30.43 H new ATOM 0 HD13 LEU A 34 -9.859 -3.141 -4.066 1.00 30.43 H new ATOM 0 HD21 LEU A 34 -6.734 -3.335 -3.758 1.00 32.51 H new ATOM 0 HD22 LEU A 34 -7.605 -1.814 -3.448 1.00 32.51 H new ATOM 0 HD23 LEU A 34 -6.569 -2.520 -2.185 1.00 32.51 H new ATOM 576 N GLN A 35 -9.980 -2.103 1.801 1.00 43.14 N ATOM 577 CA GLN A 35 -10.761 -1.382 2.819 1.00 44.41 C ATOM 578 C GLN A 35 -9.824 -0.546 3.718 1.00 31.14 C ATOM 579 O GLN A 35 -10.120 0.609 4.038 1.00 73.20 O ATOM 580 CB GLN A 35 -11.586 -2.390 3.672 1.00 24.32 C ATOM 581 CG GLN A 35 -12.464 -1.760 4.780 1.00 12.53 C ATOM 582 CD GLN A 35 -13.528 -0.767 4.280 1.00 54.13 C ATOM 583 OE1 GLN A 35 -13.865 0.191 4.977 1.00 1.33 O ATOM 584 NE2 GLN A 35 -14.094 -0.992 3.098 1.00 64.12 N ATOM 0 H GLN A 35 -10.017 -3.118 1.898 1.00 43.14 H new ATOM 0 HA GLN A 35 -11.453 -0.703 2.320 1.00 44.41 H new ATOM 0 HB2 GLN A 35 -12.229 -2.963 3.004 1.00 24.32 H new ATOM 0 HB3 GLN A 35 -10.897 -3.096 4.136 1.00 24.32 H new ATOM 0 HG2 GLN A 35 -12.964 -2.560 5.326 1.00 12.53 H new ATOM 0 HG3 GLN A 35 -11.815 -1.247 5.490 1.00 12.53 H new ATOM 0 HE21 GLN A 35 -13.801 -1.791 2.536 1.00 64.12 H new ATOM 0 HE22 GLN A 35 -14.821 -0.366 2.753 1.00 64.12 H new ATOM 593 N GLN A 36 -8.684 -1.143 4.104 1.00 62.12 N ATOM 594 CA GLN A 36 -7.697 -0.486 4.984 1.00 54.12 C ATOM 595 C GLN A 36 -6.756 0.431 4.168 1.00 12.40 C ATOM 596 O GLN A 36 -6.212 1.389 4.714 1.00 22.22 O ATOM 597 CB GLN A 36 -6.878 -1.547 5.770 1.00 63.54 C ATOM 598 CG GLN A 36 -7.711 -2.669 6.424 1.00 34.14 C ATOM 599 CD GLN A 36 -8.748 -2.190 7.440 1.00 23.21 C ATOM 600 OE1 GLN A 36 -8.531 -1.225 8.169 1.00 41.41 O ATOM 601 NE2 GLN A 36 -9.896 -2.851 7.479 1.00 71.52 N ATOM 0 H GLN A 36 -8.420 -2.086 3.819 1.00 62.12 H new ATOM 0 HA GLN A 36 -8.238 0.133 5.699 1.00 54.12 H new ATOM 0 HB2 GLN A 36 -6.156 -2.001 5.091 1.00 63.54 H new ATOM 0 HB3 GLN A 36 -6.308 -1.039 6.548 1.00 63.54 H new ATOM 0 HG2 GLN A 36 -8.223 -3.227 5.639 1.00 34.14 H new ATOM 0 HG3 GLN A 36 -7.033 -3.364 6.919 1.00 34.14 H new ATOM 0 HE21 GLN A 36 -10.047 -3.648 6.861 1.00 71.52 H new ATOM 0 HE22 GLN A 36 -10.629 -2.562 8.127 1.00 71.52 H new ATOM 610 N GLU A 37 -6.590 0.107 2.860 1.00 22.31 N ATOM 611 CA GLU A 37 -5.742 0.853 1.893 1.00 61.24 C ATOM 612 C GLU A 37 -6.036 2.360 1.914 1.00 33.44 C ATOM 613 O GLU A 37 -5.134 3.174 2.116 1.00 22.50 O ATOM 614 CB GLU A 37 -6.024 0.347 0.452 1.00 42.43 C ATOM 615 CG GLU A 37 -5.386 1.203 -0.671 1.00 15.31 C ATOM 616 CD GLU A 37 -5.925 0.889 -2.065 1.00 32.04 C ATOM 617 OE1 GLU A 37 -7.159 0.952 -2.241 1.00 12.22 O ATOM 618 OE2 GLU A 37 -5.141 0.668 -3.003 1.00 45.44 O ATOM 0 H GLU A 37 -7.052 -0.698 2.438 1.00 22.31 H new ATOM 0 HA GLU A 37 -4.705 0.684 2.183 1.00 61.24 H new ATOM 0 HB2 GLU A 37 -5.658 -0.676 0.363 1.00 42.43 H new ATOM 0 HB3 GLU A 37 -7.102 0.315 0.297 1.00 42.43 H new ATOM 0 HG2 GLU A 37 -5.558 2.257 -0.454 1.00 15.31 H new ATOM 0 HG3 GLU A 37 -4.307 1.048 -0.665 1.00 15.31 H new ATOM 625 N VAL A 38 -7.315 2.692 1.667 1.00 0.11 N ATOM 626 CA VAL A 38 -7.766 4.070 1.432 1.00 51.14 C ATOM 627 C VAL A 38 -7.376 5.009 2.595 1.00 5.14 C ATOM 628 O VAL A 38 -6.792 6.073 2.369 1.00 22.43 O ATOM 629 CB VAL A 38 -9.319 4.121 1.144 1.00 24.52 C ATOM 630 CG1 VAL A 38 -9.657 3.405 -0.190 1.00 73.44 C ATOM 631 CG2 VAL A 38 -10.145 3.519 2.308 1.00 23.43 C ATOM 0 H VAL A 38 -8.068 2.005 1.625 1.00 0.11 H new ATOM 0 HA VAL A 38 -7.251 4.433 0.543 1.00 51.14 H new ATOM 0 HB VAL A 38 -9.595 5.172 1.056 1.00 24.52 H new ATOM 0 HG11 VAL A 38 -10.732 3.453 -0.367 1.00 73.44 H new ATOM 0 HG12 VAL A 38 -9.132 3.896 -1.010 1.00 73.44 H new ATOM 0 HG13 VAL A 38 -9.345 2.362 -0.132 1.00 73.44 H new ATOM 0 HG21 VAL A 38 -11.207 3.575 2.068 1.00 23.43 H new ATOM 0 HG22 VAL A 38 -9.860 2.477 2.455 1.00 23.43 H new ATOM 0 HG23 VAL A 38 -9.950 4.081 3.221 1.00 23.43 H new ATOM 641 N SER A 39 -7.622 4.550 3.831 1.00 75.31 N ATOM 642 CA SER A 39 -7.324 5.311 5.052 1.00 13.22 C ATOM 643 C SER A 39 -5.810 5.328 5.322 1.00 33.50 C ATOM 644 O SER A 39 -5.276 6.329 5.790 1.00 51.22 O ATOM 645 CB SER A 39 -8.093 4.685 6.235 1.00 75.44 C ATOM 646 OG SER A 39 -7.818 3.295 6.343 1.00 33.45 O ATOM 0 H SER A 39 -8.036 3.635 4.012 1.00 75.31 H new ATOM 0 HA SER A 39 -7.645 6.345 4.926 1.00 13.22 H new ATOM 0 HB2 SER A 39 -7.814 5.187 7.161 1.00 75.44 H new ATOM 0 HB3 SER A 39 -9.164 4.838 6.099 1.00 75.44 H new ATOM 0 HG SER A 39 -7.238 3.018 5.603 1.00 33.45 H new ATOM 652 N TYR A 40 -5.142 4.205 4.995 1.00 63.32 N ATOM 653 CA TYR A 40 -3.693 4.014 5.196 1.00 33.21 C ATOM 654 C TYR A 40 -2.866 5.018 4.370 1.00 33.23 C ATOM 655 O TYR A 40 -2.145 5.857 4.937 1.00 41.31 O ATOM 656 CB TYR A 40 -3.319 2.547 4.837 1.00 71.15 C ATOM 657 CG TYR A 40 -1.819 2.232 4.841 1.00 61.23 C ATOM 658 CD1 TYR A 40 -1.038 2.500 5.962 1.00 33.11 C ATOM 659 CD2 TYR A 40 -1.188 1.665 3.727 1.00 52.53 C ATOM 660 CE1 TYR A 40 0.305 2.220 5.971 1.00 13.03 C ATOM 661 CE2 TYR A 40 0.163 1.383 3.742 1.00 11.21 C ATOM 662 CZ TYR A 40 0.903 1.663 4.866 1.00 72.31 C ATOM 663 OH TYR A 40 2.249 1.382 4.896 1.00 33.54 O ATOM 0 H TYR A 40 -5.600 3.394 4.578 1.00 63.32 H new ATOM 0 HA TYR A 40 -3.455 4.202 6.243 1.00 33.21 H new ATOM 0 HB2 TYR A 40 -3.815 1.880 5.542 1.00 71.15 H new ATOM 0 HB3 TYR A 40 -3.718 2.319 3.849 1.00 71.15 H new ATOM 0 HD1 TYR A 40 -1.496 2.935 6.838 1.00 33.11 H new ATOM 0 HD2 TYR A 40 -1.767 1.445 2.842 1.00 52.53 H new ATOM 0 HE1 TYR A 40 0.894 2.438 6.849 1.00 13.03 H new ATOM 0 HE2 TYR A 40 0.636 0.945 2.876 1.00 11.21 H new ATOM 0 HH TYR A 40 2.591 1.516 5.805 1.00 33.54 H new ATOM 673 N LEU A 41 -2.996 4.922 3.036 1.00 4.43 N ATOM 674 CA LEU A 41 -2.275 5.775 2.084 1.00 0.43 C ATOM 675 C LEU A 41 -2.655 7.254 2.282 1.00 71.32 C ATOM 676 O LEU A 41 -1.782 8.117 2.206 1.00 15.24 O ATOM 677 CB LEU A 41 -2.547 5.306 0.625 1.00 11.14 C ATOM 678 CG LEU A 41 -2.046 3.862 0.263 1.00 31.32 C ATOM 679 CD1 LEU A 41 -2.453 3.463 -1.180 1.00 23.23 C ATOM 680 CD2 LEU A 41 -0.515 3.733 0.473 1.00 24.51 C ATOM 0 H LEU A 41 -3.611 4.243 2.587 1.00 4.43 H new ATOM 0 HA LEU A 41 -1.205 5.684 2.272 1.00 0.43 H new ATOM 0 HB2 LEU A 41 -3.621 5.353 0.443 1.00 11.14 H new ATOM 0 HB3 LEU A 41 -2.077 6.014 -0.057 1.00 11.14 H new ATOM 0 HG LEU A 41 -2.535 3.164 0.943 1.00 31.32 H new ATOM 0 HD11 LEU A 41 -2.090 2.458 -1.396 1.00 23.23 H new ATOM 0 HD12 LEU A 41 -3.539 3.483 -1.271 1.00 23.23 H new ATOM 0 HD13 LEU A 41 -2.017 4.167 -1.889 1.00 23.23 H new ATOM 0 HD21 LEU A 41 -0.196 2.723 0.215 1.00 24.51 H new ATOM 0 HD22 LEU A 41 0.001 4.451 -0.164 1.00 24.51 H new ATOM 0 HD23 LEU A 41 -0.273 3.934 1.516 1.00 24.51 H new ATOM 692 N GLN A 42 -3.956 7.525 2.583 1.00 44.33 N ATOM 693 CA GLN A 42 -4.437 8.892 2.915 1.00 13.45 C ATOM 694 C GLN A 42 -3.650 9.460 4.109 1.00 20.25 C ATOM 695 O GLN A 42 -3.168 10.595 4.050 1.00 61.55 O ATOM 696 CB GLN A 42 -5.972 8.875 3.214 1.00 75.45 C ATOM 697 CG GLN A 42 -6.649 10.244 3.546 1.00 0.11 C ATOM 698 CD GLN A 42 -6.463 10.755 4.993 1.00 33.10 C ATOM 699 OE1 GLN A 42 -6.372 9.849 5.963 1.00 1.41 O flip ATOM 700 NE2 GLN A 42 -6.421 11.961 5.237 1.00 65.32 N flip ATOM 0 H GLN A 42 -4.687 6.814 2.602 1.00 44.33 H new ATOM 0 HA GLN A 42 -4.268 9.541 2.055 1.00 13.45 H new ATOM 0 HB2 GLN A 42 -6.480 8.447 2.350 1.00 75.45 H new ATOM 0 HB3 GLN A 42 -6.146 8.200 4.052 1.00 75.45 H new ATOM 0 HG2 GLN A 42 -6.257 10.997 2.862 1.00 0.11 H new ATOM 0 HG3 GLN A 42 -7.717 10.157 3.346 1.00 0.11 H new ATOM 0 HE21 GLN A 42 -6.493 12.638 4.477 1.00 65.32 H new ATOM 0 HE22 GLN A 42 -6.314 12.283 6.199 1.00 65.32 H new ATOM 709 N SER A 43 -3.522 8.645 5.183 1.00 43.52 N ATOM 710 CA SER A 43 -2.840 9.052 6.429 1.00 53.11 C ATOM 711 C SER A 43 -1.353 9.382 6.181 1.00 43.53 C ATOM 712 O SER A 43 -0.813 10.314 6.796 1.00 43.33 O ATOM 713 CB SER A 43 -2.991 7.968 7.521 1.00 63.33 C ATOM 714 OG SER A 43 -4.348 7.811 7.908 1.00 45.13 O ATOM 0 H SER A 43 -3.887 7.693 5.208 1.00 43.52 H new ATOM 0 HA SER A 43 -3.323 9.962 6.784 1.00 53.11 H new ATOM 0 HB2 SER A 43 -2.604 7.019 7.150 1.00 63.33 H new ATOM 0 HB3 SER A 43 -2.392 8.239 8.390 1.00 63.33 H new ATOM 0 HG SER A 43 -4.820 7.275 7.237 1.00 45.13 H new ATOM 720 N ILE A 44 -0.713 8.620 5.266 1.00 41.14 N ATOM 721 CA ILE A 44 0.686 8.869 4.854 1.00 15.25 C ATOM 722 C ILE A 44 0.792 10.235 4.140 1.00 11.31 C ATOM 723 O ILE A 44 1.594 11.086 4.521 1.00 41.31 O ATOM 724 CB ILE A 44 1.236 7.727 3.910 1.00 74.24 C ATOM 725 CG1 ILE A 44 1.114 6.321 4.588 1.00 72.24 C ATOM 726 CG2 ILE A 44 2.700 8.019 3.497 1.00 34.30 C ATOM 727 CD1 ILE A 44 1.529 5.141 3.715 1.00 34.24 C ATOM 0 H ILE A 44 -1.146 7.824 4.797 1.00 41.14 H new ATOM 0 HA ILE A 44 1.297 8.877 5.756 1.00 15.25 H new ATOM 0 HB ILE A 44 0.623 7.712 3.009 1.00 74.24 H new ATOM 0 HG12 ILE A 44 1.724 6.317 5.491 1.00 72.24 H new ATOM 0 HG13 ILE A 44 0.080 6.175 4.901 1.00 72.24 H new ATOM 0 HG21 ILE A 44 3.061 7.222 2.847 1.00 34.30 H new ATOM 0 HG22 ILE A 44 2.745 8.969 2.965 1.00 34.30 H new ATOM 0 HG23 ILE A 44 3.326 8.072 4.388 1.00 34.30 H new ATOM 0 HD11 ILE A 44 1.408 4.214 4.275 1.00 34.24 H new ATOM 0 HD12 ILE A 44 0.903 5.110 2.823 1.00 34.24 H new ATOM 0 HD13 ILE A 44 2.573 5.254 3.422 1.00 34.24 H new ATOM 739 N GLU A 45 -0.068 10.430 3.132 1.00 32.13 N ATOM 740 CA GLU A 45 -0.103 11.650 2.303 1.00 75.33 C ATOM 741 C GLU A 45 -0.357 12.909 3.155 1.00 40.22 C ATOM 742 O GLU A 45 0.290 13.944 2.949 1.00 25.14 O ATOM 743 CB GLU A 45 -1.199 11.501 1.212 1.00 4.15 C ATOM 744 CG GLU A 45 -0.919 10.382 0.184 1.00 32.22 C ATOM 745 CD GLU A 45 -2.124 10.089 -0.731 1.00 63.22 C ATOM 746 OE1 GLU A 45 -2.345 10.839 -1.702 1.00 32.42 O ATOM 747 OE2 GLU A 45 -2.863 9.113 -0.478 1.00 14.34 O ATOM 0 H GLU A 45 -0.769 9.739 2.863 1.00 32.13 H new ATOM 0 HA GLU A 45 0.871 11.772 1.829 1.00 75.33 H new ATOM 0 HB2 GLU A 45 -2.155 11.303 1.697 1.00 4.15 H new ATOM 0 HB3 GLU A 45 -1.301 12.448 0.683 1.00 4.15 H new ATOM 0 HG2 GLU A 45 -0.064 10.666 -0.430 1.00 32.22 H new ATOM 0 HG3 GLU A 45 -0.642 9.471 0.714 1.00 32.22 H new ATOM 754 N THR A 46 -1.260 12.791 4.147 1.00 61.12 N ATOM 755 CA THR A 46 -1.720 13.943 4.934 1.00 32.11 C ATOM 756 C THR A 46 -0.704 14.335 6.039 1.00 53.02 C ATOM 757 O THR A 46 -0.570 15.523 6.349 1.00 13.13 O ATOM 758 CB THR A 46 -3.158 13.718 5.515 1.00 44.30 C ATOM 759 OG1 THR A 46 -3.675 14.949 6.048 1.00 10.01 O ATOM 760 CG2 THR A 46 -3.193 12.643 6.600 1.00 1.21 C ATOM 0 H THR A 46 -1.685 11.905 4.420 1.00 61.12 H new ATOM 0 HA THR A 46 -1.783 14.788 4.249 1.00 32.11 H new ATOM 0 HB THR A 46 -3.780 13.374 4.689 1.00 44.30 H new ATOM 0 HG1 THR A 46 -3.660 15.639 5.352 1.00 10.01 H new ATOM 0 HG21 THR A 46 -4.213 12.529 6.967 1.00 1.21 H new ATOM 0 HG22 THR A 46 -2.849 11.696 6.185 1.00 1.21 H new ATOM 0 HG23 THR A 46 -2.542 12.936 7.424 1.00 1.21 H new ATOM 768 N VAL A 47 0.046 13.358 6.617 1.00 41.20 N ATOM 769 CA VAL A 47 1.175 13.695 7.531 1.00 34.24 C ATOM 770 C VAL A 47 2.349 14.290 6.717 1.00 35.15 C ATOM 771 O VAL A 47 3.155 15.073 7.241 1.00 62.34 O ATOM 772 CB VAL A 47 1.667 12.483 8.423 1.00 75.10 C ATOM 773 CG1 VAL A 47 0.531 11.962 9.336 1.00 55.24 C ATOM 774 CG2 VAL A 47 2.278 11.342 7.580 1.00 41.05 C ATOM 0 H VAL A 47 -0.103 12.359 6.473 1.00 41.20 H new ATOM 0 HA VAL A 47 0.794 14.436 8.234 1.00 34.24 H new ATOM 0 HB VAL A 47 2.465 12.864 9.061 1.00 75.10 H new ATOM 0 HG11 VAL A 47 0.899 11.130 9.936 1.00 55.24 H new ATOM 0 HG12 VAL A 47 0.196 12.764 9.994 1.00 55.24 H new ATOM 0 HG13 VAL A 47 -0.304 11.625 8.722 1.00 55.24 H new ATOM 0 HG21 VAL A 47 2.600 10.535 8.239 1.00 41.05 H new ATOM 0 HG22 VAL A 47 1.530 10.965 6.882 1.00 41.05 H new ATOM 0 HG23 VAL A 47 3.136 11.720 7.023 1.00 41.05 H new ATOM 784 N MET A 48 2.408 13.925 5.414 1.00 1.53 N ATOM 785 CA MET A 48 3.373 14.489 4.448 1.00 22.40 C ATOM 786 C MET A 48 2.905 15.856 3.902 1.00 24.10 C ATOM 787 O MET A 48 3.701 16.570 3.297 1.00 10.11 O ATOM 788 CB MET A 48 3.635 13.490 3.289 1.00 35.51 C ATOM 789 CG MET A 48 4.386 12.232 3.729 1.00 2.33 C ATOM 790 SD MET A 48 6.030 12.622 4.360 1.00 33.33 S ATOM 791 CE MET A 48 6.504 11.098 5.168 1.00 72.41 C ATOM 0 H MET A 48 1.785 13.229 5.005 1.00 1.53 H new ATOM 0 HA MET A 48 4.310 14.656 4.979 1.00 22.40 H new ATOM 0 HB2 MET A 48 2.682 13.199 2.847 1.00 35.51 H new ATOM 0 HB3 MET A 48 4.208 13.992 2.509 1.00 35.51 H new ATOM 0 HG2 MET A 48 3.813 11.717 4.500 1.00 2.33 H new ATOM 0 HG3 MET A 48 4.473 11.547 2.886 1.00 2.33 H new ATOM 0 HE1 MET A 48 6.826 11.311 6.187 1.00 72.41 H new ATOM 0 HE2 MET A 48 5.652 10.418 5.191 1.00 72.41 H new ATOM 0 HE3 MET A 48 7.323 10.634 4.619 1.00 72.41 H new ATOM 801 N GLU A 49 1.612 16.210 4.100 1.00 32.20 N ATOM 802 CA GLU A 49 1.125 17.596 3.859 1.00 22.21 C ATOM 803 C GLU A 49 1.678 18.557 4.929 1.00 2.50 C ATOM 804 O GLU A 49 1.897 19.741 4.660 1.00 75.15 O ATOM 805 CB GLU A 49 -0.427 17.666 3.817 1.00 22.12 C ATOM 806 CG GLU A 49 -1.059 16.938 2.614 1.00 25.45 C ATOM 807 CD GLU A 49 -2.580 17.142 2.520 1.00 35.51 C ATOM 808 OE1 GLU A 49 -3.329 16.476 3.266 1.00 60.44 O ATOM 809 OE2 GLU A 49 -3.034 17.985 1.717 1.00 45.13 O ATOM 0 H GLU A 49 0.891 15.564 4.423 1.00 32.20 H new ATOM 0 HA GLU A 49 1.494 17.905 2.881 1.00 22.21 H new ATOM 0 HB2 GLU A 49 -0.824 17.237 4.737 1.00 22.12 H new ATOM 0 HB3 GLU A 49 -0.732 18.712 3.796 1.00 22.12 H new ATOM 0 HG2 GLU A 49 -0.593 17.294 1.695 1.00 25.45 H new ATOM 0 HG3 GLU A 49 -0.845 15.872 2.688 1.00 25.45 H new ATOM 816 N LYS A 50 1.897 18.027 6.146 1.00 45.05 N ATOM 817 CA LYS A 50 2.593 18.754 7.224 1.00 74.11 C ATOM 818 C LYS A 50 4.126 18.651 7.053 1.00 11.23 C ATOM 819 O LYS A 50 4.860 19.480 7.599 1.00 34.41 O ATOM 820 CB LYS A 50 2.160 18.219 8.623 1.00 72.34 C ATOM 821 CG LYS A 50 0.717 18.589 9.047 1.00 24.12 C ATOM 822 CD LYS A 50 0.487 20.119 9.040 1.00 73.41 C ATOM 823 CE LYS A 50 -0.859 20.554 9.635 1.00 4.21 C ATOM 824 NZ LYS A 50 -2.022 20.019 8.886 1.00 44.35 N ATOM 0 H LYS A 50 1.598 17.088 6.409 1.00 45.05 H new ATOM 0 HA LYS A 50 2.311 19.805 7.159 1.00 74.11 H new ATOM 0 HB2 LYS A 50 2.256 17.133 8.626 1.00 72.34 H new ATOM 0 HB3 LYS A 50 2.852 18.603 9.372 1.00 72.34 H new ATOM 0 HG2 LYS A 50 0.007 18.112 8.371 1.00 24.12 H new ATOM 0 HG3 LYS A 50 0.520 18.197 10.045 1.00 24.12 H new ATOM 0 HD2 LYS A 50 1.291 20.599 9.598 1.00 73.41 H new ATOM 0 HD3 LYS A 50 0.552 20.481 8.014 1.00 73.41 H new ATOM 0 HE2 LYS A 50 -0.917 20.221 10.671 1.00 4.21 H new ATOM 0 HE3 LYS A 50 -0.910 21.643 9.646 1.00 4.21 H new ATOM 0 HZ1 LYS A 50 -2.765 20.745 8.833 1.00 44.35 H new ATOM 0 HZ2 LYS A 50 -1.725 19.757 7.924 1.00 44.35 H new ATOM 0 HZ3 LYS A 50 -2.393 19.179 9.374 1.00 44.35 H new ATOM 838 N GLN A 51 4.582 17.613 6.305 1.00 75.12 N ATOM 839 CA GLN A 51 6.021 17.346 6.030 1.00 52.51 C ATOM 840 C GLN A 51 6.806 17.098 7.338 1.00 54.11 C ATOM 841 O GLN A 51 8.004 17.391 7.410 1.00 2.24 O ATOM 842 CB GLN A 51 6.662 18.499 5.186 1.00 50.02 C ATOM 843 CG GLN A 51 6.062 18.671 3.772 1.00 75.33 C ATOM 844 CD GLN A 51 6.727 19.770 2.939 1.00 61.30 C ATOM 845 OE1 GLN A 51 7.909 20.081 3.112 1.00 70.33 O ATOM 846 NE2 GLN A 51 5.986 20.350 2.005 1.00 24.43 N ATOM 0 H GLN A 51 3.958 16.932 5.872 1.00 75.12 H new ATOM 0 HA GLN A 51 6.080 16.434 5.436 1.00 52.51 H new ATOM 0 HB2 GLN A 51 6.549 19.436 5.731 1.00 50.02 H new ATOM 0 HB3 GLN A 51 7.732 18.312 5.092 1.00 50.02 H new ATOM 0 HG2 GLN A 51 6.144 17.725 3.237 1.00 75.33 H new ATOM 0 HG3 GLN A 51 4.999 18.894 3.865 1.00 75.33 H new ATOM 0 HE21 GLN A 51 5.012 20.074 1.883 1.00 24.43 H new ATOM 0 HE22 GLN A 51 6.390 21.072 1.409 1.00 24.43 H new ATOM 855 N THR A 52 6.112 16.483 8.326 1.00 22.31 N ATOM 856 CA THR A 52 6.593 16.311 9.713 1.00 62.13 C ATOM 857 C THR A 52 6.718 17.693 10.418 1.00 30.12 C ATOM 858 O THR A 52 7.604 18.478 10.075 1.00 31.41 O ATOM 859 CB THR A 52 7.945 15.500 9.805 1.00 1.45 C ATOM 860 OG1 THR A 52 7.749 14.177 9.279 1.00 4.34 O ATOM 861 CG2 THR A 52 8.489 15.399 11.246 1.00 22.21 C ATOM 0 H THR A 52 5.185 16.086 8.175 1.00 22.31 H new ATOM 0 HA THR A 52 5.847 15.712 10.235 1.00 62.13 H new ATOM 0 HB THR A 52 8.684 16.045 9.217 1.00 1.45 H new ATOM 0 HG1 THR A 52 8.589 13.675 9.335 1.00 4.34 H new ATOM 0 HG21 THR A 52 9.419 14.831 11.245 1.00 22.21 H new ATOM 0 HG22 THR A 52 8.676 16.400 11.635 1.00 22.21 H new ATOM 0 HG23 THR A 52 7.757 14.895 11.877 1.00 22.21 H new ATOM 869 N PRO A 53 5.772 18.037 11.360 1.00 43.32 N ATOM 870 CA PRO A 53 5.906 19.216 12.263 1.00 24.44 C ATOM 871 C PRO A 53 7.290 19.314 12.967 1.00 11.44 C ATOM 872 O PRO A 53 7.879 18.285 13.300 1.00 55.14 O ATOM 873 CB PRO A 53 4.772 18.981 13.292 1.00 74.40 C ATOM 874 CG PRO A 53 3.713 18.278 12.502 1.00 31.42 C ATOM 875 CD PRO A 53 4.461 17.356 11.564 1.00 21.23 C ATOM 0 HA PRO A 53 5.834 20.156 11.716 1.00 24.44 H new ATOM 0 HB2 PRO A 53 5.113 18.375 14.132 1.00 74.40 H new ATOM 0 HB3 PRO A 53 4.405 19.921 13.705 1.00 74.40 H new ATOM 0 HG2 PRO A 53 3.043 17.717 13.154 1.00 31.42 H new ATOM 0 HG3 PRO A 53 3.099 18.988 11.949 1.00 31.42 H new ATOM 0 HD2 PRO A 53 4.589 16.364 11.997 1.00 21.23 H new ATOM 0 HD3 PRO A 53 3.928 17.226 10.622 1.00 21.23 H new ATOM 883 N PRO A 54 7.858 20.553 13.155 1.00 4.41 N ATOM 884 CA PRO A 54 9.117 20.756 13.925 1.00 60.43 C ATOM 885 C PRO A 54 8.929 20.533 15.438 1.00 31.43 C ATOM 886 O PRO A 54 9.893 20.227 16.149 1.00 42.15 O ATOM 887 CB PRO A 54 9.509 22.235 13.616 1.00 70.13 C ATOM 888 CG PRO A 54 8.636 22.644 12.463 1.00 64.33 C ATOM 889 CD PRO A 54 7.367 21.837 12.599 1.00 54.43 C ATOM 0 HA PRO A 54 9.887 20.040 13.638 1.00 60.43 H new ATOM 0 HB2 PRO A 54 9.342 22.875 14.482 1.00 70.13 H new ATOM 0 HB3 PRO A 54 10.565 22.316 13.358 1.00 70.13 H new ATOM 0 HG2 PRO A 54 8.424 23.713 12.493 1.00 64.33 H new ATOM 0 HG3 PRO A 54 9.127 22.443 11.511 1.00 64.33 H new ATOM 0 HD2 PRO A 54 6.650 22.319 13.264 1.00 54.43 H new ATOM 0 HD3 PRO A 54 6.869 21.699 11.639 1.00 54.43 H new ATOM 897 N GLY A 55 7.677 20.699 15.914 1.00 5.25 N ATOM 898 CA GLY A 55 7.342 20.573 17.333 1.00 3.43 C ATOM 899 C GLY A 55 7.151 19.127 17.775 1.00 2.22 C ATOM 900 O GLY A 55 6.088 18.751 18.270 1.00 40.23 O ATOM 0 H GLY A 55 6.878 20.923 15.321 1.00 5.25 H new ATOM 0 HA2 GLY A 55 8.133 21.028 17.929 1.00 3.43 H new ATOM 0 HA3 GLY A 55 6.429 21.133 17.536 1.00 3.43 H new ATOM 904 N ILE A 56 8.201 18.315 17.586 1.00 72.04 N ATOM 905 CA ILE A 56 8.241 16.900 17.974 1.00 4.31 C ATOM 906 C ILE A 56 9.339 16.745 19.031 1.00 4.45 C ATOM 907 O ILE A 56 10.507 17.021 18.740 1.00 51.42 O ATOM 908 CB ILE A 56 8.550 15.971 16.727 1.00 62.42 C ATOM 909 CG1 ILE A 56 7.514 16.207 15.577 1.00 2.03 C ATOM 910 CG2 ILE A 56 8.615 14.473 17.120 1.00 5.42 C ATOM 911 CD1 ILE A 56 6.054 16.042 15.965 1.00 45.55 C ATOM 0 H ILE A 56 9.066 18.633 17.149 1.00 72.04 H new ATOM 0 HA ILE A 56 7.272 16.597 18.370 1.00 4.31 H new ATOM 0 HB ILE A 56 9.537 16.249 16.357 1.00 62.42 H new ATOM 0 HG12 ILE A 56 7.656 17.214 15.186 1.00 2.03 H new ATOM 0 HG13 ILE A 56 7.736 15.515 14.765 1.00 2.03 H new ATOM 0 HG21 ILE A 56 8.829 13.874 16.235 1.00 5.42 H new ATOM 0 HG22 ILE A 56 9.403 14.324 17.858 1.00 5.42 H new ATOM 0 HG23 ILE A 56 7.659 14.166 17.544 1.00 5.42 H new ATOM 0 HD11 ILE A 56 5.423 16.228 15.096 1.00 45.55 H new ATOM 0 HD12 ILE A 56 5.886 15.027 16.325 1.00 45.55 H new ATOM 0 HD13 ILE A 56 5.804 16.753 16.753 1.00 45.55 H new ATOM 923 N THR A 57 8.956 16.360 20.260 1.00 44.20 N ATOM 924 CA THR A 57 9.912 16.112 21.357 1.00 54.44 C ATOM 925 C THR A 57 10.568 14.721 21.192 1.00 45.54 C ATOM 926 O THR A 57 10.172 13.950 20.313 1.00 3.40 O ATOM 927 CB THR A 57 9.214 16.244 22.757 1.00 35.50 C ATOM 928 OG1 THR A 57 10.192 16.190 23.804 1.00 3.12 O ATOM 929 CG2 THR A 57 8.164 15.151 23.007 1.00 50.10 C ATOM 0 H THR A 57 7.981 16.212 20.522 1.00 44.20 H new ATOM 0 HA THR A 57 10.694 16.870 21.308 1.00 54.44 H new ATOM 0 HB THR A 57 8.702 17.206 22.756 1.00 35.50 H new ATOM 0 HG1 THR A 57 10.000 16.885 24.467 1.00 3.12 H new ATOM 0 HG21 THR A 57 7.716 15.295 23.990 1.00 50.10 H new ATOM 0 HG22 THR A 57 7.389 15.210 22.243 1.00 50.10 H new ATOM 0 HG23 THR A 57 8.641 14.172 22.965 1.00 50.10 H new ATOM 937 N ARG A 58 11.537 14.397 22.072 1.00 32.34 N ATOM 938 CA ARG A 58 12.318 13.136 22.001 1.00 2.31 C ATOM 939 C ARG A 58 11.424 11.909 22.256 1.00 63.24 C ATOM 940 O ARG A 58 11.679 10.834 21.720 1.00 21.22 O ATOM 941 CB ARG A 58 13.512 13.139 23.023 1.00 31.43 C ATOM 942 CG ARG A 58 13.141 12.967 24.530 1.00 33.10 C ATOM 943 CD ARG A 58 12.313 14.131 25.114 1.00 45.14 C ATOM 944 NE ARG A 58 11.928 13.893 26.518 1.00 5.05 N ATOM 945 CZ ARG A 58 10.802 14.331 27.112 1.00 41.45 C ATOM 946 NH1 ARG A 58 9.892 15.044 26.445 1.00 74.30 N ATOM 947 NH2 ARG A 58 10.595 14.056 28.391 1.00 44.21 N ATOM 0 H ARG A 58 11.803 14.998 22.852 1.00 32.34 H new ATOM 0 HA ARG A 58 12.724 13.073 20.991 1.00 2.31 H new ATOM 0 HB2 ARG A 58 14.199 12.339 22.747 1.00 31.43 H new ATOM 0 HB3 ARG A 58 14.055 14.078 22.910 1.00 31.43 H new ATOM 0 HG2 ARG A 58 12.580 12.040 24.651 1.00 33.10 H new ATOM 0 HG3 ARG A 58 14.059 12.862 25.109 1.00 33.10 H new ATOM 0 HD2 ARG A 58 12.890 15.053 25.049 1.00 45.14 H new ATOM 0 HD3 ARG A 58 11.415 14.274 24.512 1.00 45.14 H new ATOM 0 HE ARG A 58 12.573 13.348 27.090 1.00 5.05 H new ATOM 0 HH11 ARG A 58 10.041 15.269 25.461 1.00 74.30 H new ATOM 0 HH12 ARG A 58 9.047 15.364 26.919 1.00 74.30 H new ATOM 0 HH21 ARG A 58 11.285 13.518 28.915 1.00 44.21 H new ATOM 0 HH22 ARG A 58 9.746 14.383 28.852 1.00 44.21 H new ATOM 961 N SER A 59 10.363 12.099 23.061 1.00 22.11 N ATOM 962 CA SER A 59 9.423 11.029 23.407 1.00 53.14 C ATOM 963 C SER A 59 8.534 10.687 22.192 1.00 54.43 C ATOM 964 O SER A 59 8.382 9.520 21.842 1.00 33.12 O ATOM 965 CB SER A 59 8.576 11.447 24.624 1.00 33.02 C ATOM 966 OG SER A 59 7.694 10.413 25.028 1.00 50.41 O ATOM 0 H SER A 59 10.138 12.998 23.487 1.00 22.11 H new ATOM 0 HA SER A 59 9.980 10.132 23.675 1.00 53.14 H new ATOM 0 HB2 SER A 59 9.234 11.709 25.453 1.00 33.02 H new ATOM 0 HB3 SER A 59 8.002 12.340 24.378 1.00 33.02 H new ATOM 0 HG SER A 59 7.173 10.711 25.803 1.00 50.41 H new ATOM 972 N ILE A 60 7.988 11.735 21.539 1.00 51.34 N ATOM 973 CA ILE A 60 7.121 11.594 20.345 1.00 24.00 C ATOM 974 C ILE A 60 7.930 11.070 19.140 1.00 2.51 C ATOM 975 O ILE A 60 7.423 10.264 18.354 1.00 62.24 O ATOM 976 CB ILE A 60 6.407 12.963 19.998 1.00 30.13 C ATOM 977 CG1 ILE A 60 5.493 13.393 21.189 1.00 43.52 C ATOM 978 CG2 ILE A 60 5.599 12.887 18.671 1.00 62.45 C ATOM 979 CD1 ILE A 60 4.826 14.744 21.037 1.00 32.20 C ATOM 0 H ILE A 60 8.135 12.704 21.823 1.00 51.34 H new ATOM 0 HA ILE A 60 6.346 10.863 20.574 1.00 24.00 H new ATOM 0 HB ILE A 60 7.179 13.717 19.846 1.00 30.13 H new ATOM 0 HG12 ILE A 60 4.719 12.637 21.323 1.00 43.52 H new ATOM 0 HG13 ILE A 60 6.091 13.402 22.100 1.00 43.52 H new ATOM 0 HG21 ILE A 60 5.128 13.850 18.476 1.00 62.45 H new ATOM 0 HG22 ILE A 60 6.271 12.639 17.849 1.00 62.45 H new ATOM 0 HG23 ILE A 60 4.831 12.118 18.756 1.00 62.45 H new ATOM 0 HD11 ILE A 60 4.214 14.949 21.916 1.00 32.20 H new ATOM 0 HD12 ILE A 60 5.588 15.517 20.937 1.00 32.20 H new ATOM 0 HD13 ILE A 60 4.195 14.740 20.148 1.00 32.20 H new ATOM 991 N GLN A 61 9.196 11.520 19.038 1.00 72.21 N ATOM 992 CA GLN A 61 10.151 11.055 18.010 1.00 52.13 C ATOM 993 C GLN A 61 10.423 9.554 18.186 1.00 14.11 C ATOM 994 O GLN A 61 10.444 8.809 17.211 1.00 44.52 O ATOM 995 CB GLN A 61 11.486 11.844 18.107 1.00 43.55 C ATOM 996 CG GLN A 61 12.561 11.426 17.079 1.00 43.02 C ATOM 997 CD GLN A 61 13.908 12.122 17.289 1.00 42.10 C ATOM 998 OE1 GLN A 61 14.771 11.628 18.016 1.00 74.11 O ATOM 999 NE2 GLN A 61 14.096 13.275 16.665 1.00 21.22 N ATOM 0 H GLN A 61 9.588 12.219 19.669 1.00 72.21 H new ATOM 0 HA GLN A 61 9.712 11.230 17.028 1.00 52.13 H new ATOM 0 HB2 GLN A 61 11.275 12.906 17.979 1.00 43.55 H new ATOM 0 HB3 GLN A 61 11.894 11.719 19.110 1.00 43.55 H new ATOM 0 HG2 GLN A 61 12.706 10.347 17.134 1.00 43.02 H new ATOM 0 HG3 GLN A 61 12.199 11.648 16.075 1.00 43.02 H new ATOM 0 HE21 GLN A 61 13.362 13.658 16.070 1.00 21.22 H new ATOM 0 HE22 GLN A 61 14.975 13.780 16.780 1.00 21.22 H new ATOM 1008 N ASP A 62 10.621 9.142 19.455 1.00 12.44 N ATOM 1009 CA ASP A 62 10.852 7.734 19.834 1.00 51.30 C ATOM 1010 C ASP A 62 9.644 6.860 19.456 1.00 65.12 C ATOM 1011 O ASP A 62 9.809 5.774 18.858 1.00 75.33 O ATOM 1012 CB ASP A 62 11.144 7.642 21.356 1.00 31.01 C ATOM 1013 CG ASP A 62 11.353 6.203 21.860 1.00 71.24 C ATOM 1014 OD1 ASP A 62 10.432 5.634 22.480 1.00 34.12 O ATOM 1015 OD2 ASP A 62 12.442 5.631 21.632 1.00 10.32 O ATOM 0 H ASP A 62 10.625 9.781 20.250 1.00 12.44 H new ATOM 0 HA ASP A 62 11.717 7.360 19.286 1.00 51.30 H new ATOM 0 HB2 ASP A 62 12.034 8.230 21.582 1.00 31.01 H new ATOM 0 HB3 ASP A 62 10.316 8.093 21.904 1.00 31.01 H new ATOM 1020 N MET A 63 8.426 7.369 19.786 1.00 71.31 N ATOM 1021 CA MET A 63 7.164 6.683 19.475 1.00 2.42 C ATOM 1022 C MET A 63 7.095 6.409 17.978 1.00 22.22 C ATOM 1023 O MET A 63 7.153 5.255 17.550 1.00 50.14 O ATOM 1024 CB MET A 63 5.897 7.500 19.868 1.00 1.10 C ATOM 1025 CG MET A 63 5.740 7.874 21.337 1.00 73.41 C ATOM 1026 SD MET A 63 4.082 8.510 21.694 1.00 72.42 S ATOM 1027 CE MET A 63 3.778 9.662 20.340 1.00 61.34 C ATOM 0 H MET A 63 8.303 8.258 20.270 1.00 71.31 H new ATOM 0 HA MET A 63 7.164 5.765 20.062 1.00 2.42 H new ATOM 0 HB2 MET A 63 5.892 8.419 19.283 1.00 1.10 H new ATOM 0 HB3 MET A 63 5.019 6.927 19.569 1.00 1.10 H new ATOM 0 HG2 MET A 63 5.936 7.000 21.958 1.00 73.41 H new ATOM 0 HG3 MET A 63 6.483 8.626 21.602 1.00 73.41 H new ATOM 0 HE1 MET A 63 3.065 10.421 20.661 1.00 61.34 H new ATOM 0 HE2 MET A 63 4.714 10.141 20.053 1.00 61.34 H new ATOM 0 HE3 MET A 63 3.371 9.121 19.486 1.00 61.34 H new ATOM 1037 N VAL A 64 7.019 7.503 17.194 1.00 41.45 N ATOM 1038 CA VAL A 64 6.784 7.435 15.752 1.00 71.43 C ATOM 1039 C VAL A 64 7.956 6.812 14.990 1.00 4.53 C ATOM 1040 O VAL A 64 7.754 6.338 13.891 1.00 24.52 O ATOM 1041 CB VAL A 64 6.379 8.806 15.115 1.00 44.11 C ATOM 1042 CG1 VAL A 64 5.113 9.389 15.795 1.00 32.11 C ATOM 1043 CG2 VAL A 64 7.563 9.804 15.112 1.00 65.05 C ATOM 0 H VAL A 64 7.120 8.454 17.550 1.00 41.45 H new ATOM 0 HA VAL A 64 5.925 6.772 15.648 1.00 71.43 H new ATOM 0 HB VAL A 64 6.123 8.627 14.071 1.00 44.11 H new ATOM 0 HG11 VAL A 64 4.857 10.341 15.331 1.00 32.11 H new ATOM 0 HG12 VAL A 64 4.283 8.692 15.677 1.00 32.11 H new ATOM 0 HG13 VAL A 64 5.308 9.544 16.856 1.00 32.11 H new ATOM 0 HG21 VAL A 64 7.245 10.745 14.662 1.00 65.05 H new ATOM 0 HG22 VAL A 64 7.890 9.984 16.136 1.00 65.05 H new ATOM 0 HG23 VAL A 64 8.389 9.387 14.535 1.00 65.05 H new ATOM 1053 N ALA A 65 9.169 6.810 15.572 1.00 45.32 N ATOM 1054 CA ALA A 65 10.290 6.010 15.035 1.00 35.31 C ATOM 1055 C ALA A 65 9.875 4.526 14.994 1.00 63.21 C ATOM 1056 O ALA A 65 10.073 3.834 13.987 1.00 75.45 O ATOM 1057 CB ALA A 65 11.561 6.204 15.870 1.00 2.24 C ATOM 0 H ALA A 65 9.399 7.348 16.407 1.00 45.32 H new ATOM 0 HA ALA A 65 10.518 6.348 14.024 1.00 35.31 H new ATOM 0 HB1 ALA A 65 12.367 5.603 15.450 1.00 2.24 H new ATOM 0 HB2 ALA A 65 11.848 7.256 15.857 1.00 2.24 H new ATOM 0 HB3 ALA A 65 11.373 5.892 16.897 1.00 2.24 H new ATOM 1063 N GLY A 66 9.232 4.078 16.094 1.00 70.42 N ATOM 1064 CA GLY A 66 8.584 2.763 16.139 1.00 61.40 C ATOM 1065 C GLY A 66 7.425 2.608 15.139 1.00 45.33 C ATOM 1066 O GLY A 66 7.341 1.581 14.468 1.00 50.13 O ATOM 0 H GLY A 66 9.152 4.613 16.959 1.00 70.42 H new ATOM 0 HA2 GLY A 66 9.330 1.994 15.939 1.00 61.40 H new ATOM 0 HA3 GLY A 66 8.208 2.588 17.147 1.00 61.40 H new ATOM 1070 N TYR A 67 6.555 3.648 15.019 1.00 25.35 N ATOM 1071 CA TYR A 67 5.354 3.615 14.125 1.00 72.23 C ATOM 1072 C TYR A 67 5.770 3.402 12.647 1.00 75.22 C ATOM 1073 O TYR A 67 5.204 2.551 11.938 1.00 73.35 O ATOM 1074 CB TYR A 67 4.510 4.934 14.208 1.00 22.43 C ATOM 1075 CG TYR A 67 3.810 5.251 15.557 1.00 45.24 C ATOM 1076 CD1 TYR A 67 4.352 4.885 16.769 1.00 43.24 C ATOM 1077 CD2 TYR A 67 2.626 5.975 15.602 1.00 63.24 C ATOM 1078 CE1 TYR A 67 3.743 5.208 17.969 1.00 54.31 C ATOM 1079 CE2 TYR A 67 2.007 6.299 16.795 1.00 31.44 C ATOM 1080 CZ TYR A 67 2.575 5.917 17.976 1.00 13.33 C ATOM 1081 OH TYR A 67 1.975 6.245 19.175 1.00 61.24 O ATOM 0 H TYR A 67 6.660 4.524 15.530 1.00 25.35 H new ATOM 0 HA TYR A 67 4.743 2.782 14.473 1.00 72.23 H new ATOM 0 HB2 TYR A 67 5.166 5.770 13.965 1.00 22.43 H new ATOM 0 HB3 TYR A 67 3.745 4.893 13.433 1.00 22.43 H new ATOM 0 HD1 TYR A 67 5.279 4.330 16.783 1.00 43.24 H new ATOM 0 HD2 TYR A 67 2.174 6.295 14.675 1.00 63.24 H new ATOM 0 HE1 TYR A 67 4.192 4.899 18.902 1.00 54.31 H new ATOM 0 HE2 TYR A 67 1.079 6.851 16.793 1.00 31.44 H new ATOM 0 HH TYR A 67 1.153 6.750 19.002 1.00 61.24 H new ATOM 1091 N ILE A 68 6.771 4.199 12.204 1.00 64.01 N ATOM 1092 CA ILE A 68 7.266 4.165 10.819 1.00 15.14 C ATOM 1093 C ILE A 68 7.987 2.829 10.573 1.00 41.14 C ATOM 1094 O ILE A 68 7.811 2.220 9.533 1.00 2.10 O ATOM 1095 CB ILE A 68 8.253 5.355 10.458 1.00 4.24 C ATOM 1096 CG1 ILE A 68 7.680 6.742 10.881 1.00 1.54 C ATOM 1097 CG2 ILE A 68 8.551 5.354 8.933 1.00 40.13 C ATOM 1098 CD1 ILE A 68 8.635 7.921 10.708 1.00 23.42 C ATOM 0 H ILE A 68 7.251 4.877 12.796 1.00 64.01 H new ATOM 0 HA ILE A 68 6.392 4.276 10.177 1.00 15.14 H new ATOM 0 HB ILE A 68 9.175 5.194 11.016 1.00 4.24 H new ATOM 0 HG12 ILE A 68 6.779 6.937 10.300 1.00 1.54 H new ATOM 0 HG13 ILE A 68 7.380 6.689 11.927 1.00 1.54 H new ATOM 0 HG21 ILE A 68 9.229 6.174 8.694 1.00 40.13 H new ATOM 0 HG22 ILE A 68 9.013 4.407 8.653 1.00 40.13 H new ATOM 0 HG23 ILE A 68 7.620 5.480 8.380 1.00 40.13 H new ATOM 0 HD11 ILE A 68 8.142 8.839 11.030 1.00 23.42 H new ATOM 0 HD12 ILE A 68 9.528 7.758 11.312 1.00 23.42 H new ATOM 0 HD13 ILE A 68 8.917 8.010 9.659 1.00 23.42 H new ATOM 1110 N LYS A 69 8.775 2.375 11.566 1.00 45.13 N ATOM 1111 CA LYS A 69 9.546 1.114 11.468 1.00 63.42 C ATOM 1112 C LYS A 69 8.608 -0.101 11.239 1.00 51.14 C ATOM 1113 O LYS A 69 8.915 -0.986 10.413 1.00 24.00 O ATOM 1114 CB LYS A 69 10.433 0.941 12.734 1.00 13.44 C ATOM 1115 CG LYS A 69 11.390 -0.278 12.721 1.00 14.30 C ATOM 1116 CD LYS A 69 12.529 -0.173 13.775 1.00 35.54 C ATOM 1117 CE LYS A 69 12.023 -0.054 15.224 1.00 64.12 C ATOM 1118 NZ LYS A 69 11.347 -1.293 15.697 1.00 25.32 N ATOM 0 H LYS A 69 8.897 2.864 12.453 1.00 45.13 H new ATOM 0 HA LYS A 69 10.203 1.165 10.600 1.00 63.42 H new ATOM 0 HB2 LYS A 69 11.027 1.845 12.865 1.00 13.44 H new ATOM 0 HB3 LYS A 69 9.781 0.859 13.604 1.00 13.44 H new ATOM 0 HG2 LYS A 69 10.815 -1.185 12.906 1.00 14.30 H new ATOM 0 HG3 LYS A 69 11.830 -0.376 11.729 1.00 14.30 H new ATOM 0 HD2 LYS A 69 13.169 -1.052 13.694 1.00 35.54 H new ATOM 0 HD3 LYS A 69 13.148 0.694 13.543 1.00 35.54 H new ATOM 0 HE2 LYS A 69 12.863 0.171 15.881 1.00 64.12 H new ATOM 0 HE3 LYS A 69 11.329 0.784 15.295 1.00 64.12 H new ATOM 0 HZ1 LYS A 69 11.026 -1.160 16.677 1.00 25.32 H new ATOM 0 HZ2 LYS A 69 10.528 -1.496 15.089 1.00 25.32 H new ATOM 0 HZ3 LYS A 69 12.014 -2.090 15.656 1.00 25.32 H new ATOM 1132 N GLN A 70 7.436 -0.089 11.926 1.00 61.33 N ATOM 1133 CA GLN A 70 6.363 -1.086 11.714 1.00 33.55 C ATOM 1134 C GLN A 70 5.887 -1.034 10.258 1.00 54.14 C ATOM 1135 O GLN A 70 5.949 -2.035 9.536 1.00 34.22 O ATOM 1136 CB GLN A 70 5.144 -0.812 12.646 1.00 13.45 C ATOM 1137 CG GLN A 70 5.413 -0.968 14.150 1.00 0.33 C ATOM 1138 CD GLN A 70 4.210 -0.581 15.015 1.00 33.40 C ATOM 1139 OE1 GLN A 70 4.060 0.578 15.406 1.00 33.41 O ATOM 1140 NE2 GLN A 70 3.340 -1.540 15.302 1.00 33.12 N ATOM 0 H GLN A 70 7.213 0.608 12.636 1.00 61.33 H new ATOM 0 HA GLN A 70 6.772 -2.069 11.946 1.00 33.55 H new ATOM 0 HB2 GLN A 70 4.789 0.202 12.462 1.00 13.45 H new ATOM 0 HB3 GLN A 70 4.336 -1.489 12.367 1.00 13.45 H new ATOM 0 HG2 GLN A 70 5.687 -2.002 14.359 1.00 0.33 H new ATOM 0 HG3 GLN A 70 6.267 -0.350 14.427 1.00 0.33 H new ATOM 0 HE21 GLN A 70 3.496 -2.489 14.961 1.00 33.12 H new ATOM 0 HE22 GLN A 70 2.515 -1.329 15.863 1.00 33.12 H new ATOM 1149 N THR A 71 5.471 0.176 9.832 1.00 60.02 N ATOM 1150 CA THR A 71 4.823 0.383 8.532 1.00 72.52 C ATOM 1151 C THR A 71 5.784 0.101 7.357 1.00 50.43 C ATOM 1152 O THR A 71 5.341 -0.303 6.294 1.00 23.14 O ATOM 1153 CB THR A 71 4.184 1.819 8.423 1.00 72.44 C ATOM 1154 OG1 THR A 71 3.091 1.794 7.509 1.00 12.43 O ATOM 1155 CG2 THR A 71 5.163 2.920 7.967 1.00 11.34 C ATOM 0 H THR A 71 5.577 1.030 10.380 1.00 60.02 H new ATOM 0 HA THR A 71 4.011 -0.341 8.463 1.00 72.52 H new ATOM 0 HB THR A 71 3.865 2.070 9.435 1.00 72.44 H new ATOM 0 HG1 THR A 71 2.254 1.665 8.003 1.00 12.43 H new ATOM 0 HG21 THR A 71 4.640 3.875 7.919 1.00 11.34 H new ATOM 0 HG22 THR A 71 5.986 2.992 8.678 1.00 11.34 H new ATOM 0 HG23 THR A 71 5.556 2.672 6.981 1.00 11.34 H new ATOM 1163 N LEU A 72 7.104 0.283 7.588 1.00 14.22 N ATOM 1164 CA LEU A 72 8.154 0.018 6.581 1.00 41.23 C ATOM 1165 C LEU A 72 8.301 -1.479 6.348 1.00 21.44 C ATOM 1166 O LEU A 72 8.385 -1.924 5.207 1.00 51.14 O ATOM 1167 CB LEU A 72 9.525 0.595 7.036 1.00 23.01 C ATOM 1168 CG LEU A 72 9.632 2.141 7.049 1.00 40.41 C ATOM 1169 CD1 LEU A 72 10.997 2.607 7.603 1.00 35.43 C ATOM 1170 CD2 LEU A 72 9.338 2.715 5.650 1.00 70.55 C ATOM 0 H LEU A 72 7.470 0.618 8.479 1.00 14.22 H new ATOM 0 HA LEU A 72 7.852 0.507 5.655 1.00 41.23 H new ATOM 0 HB2 LEU A 72 9.739 0.226 8.039 1.00 23.01 H new ATOM 0 HB3 LEU A 72 10.300 0.201 6.379 1.00 23.01 H new ATOM 0 HG LEU A 72 8.874 2.534 7.727 1.00 40.41 H new ATOM 0 HD11 LEU A 72 11.039 3.696 7.598 1.00 35.43 H new ATOM 0 HD12 LEU A 72 11.119 2.244 8.623 1.00 35.43 H new ATOM 0 HD13 LEU A 72 11.798 2.210 6.979 1.00 35.43 H new ATOM 0 HD21 LEU A 72 9.418 3.802 5.678 1.00 70.55 H new ATOM 0 HD22 LEU A 72 10.058 2.317 4.935 1.00 70.55 H new ATOM 0 HD23 LEU A 72 8.330 2.433 5.346 1.00 70.55 H new ATOM 1182 N ASP A 73 8.361 -2.229 7.465 1.00 1.22 N ATOM 1183 CA ASP A 73 8.438 -3.701 7.453 1.00 25.22 C ATOM 1184 C ASP A 73 7.263 -4.294 6.663 1.00 62.02 C ATOM 1185 O ASP A 73 7.448 -5.092 5.739 1.00 64.04 O ATOM 1186 CB ASP A 73 8.416 -4.241 8.907 1.00 41.43 C ATOM 1187 CG ASP A 73 8.457 -5.776 8.980 1.00 12.12 C ATOM 1188 OD1 ASP A 73 7.385 -6.429 8.957 1.00 55.45 O ATOM 1189 OD2 ASP A 73 9.566 -6.343 9.062 1.00 24.43 O ATOM 0 H ASP A 73 8.357 -1.829 8.403 1.00 1.22 H new ATOM 0 HA ASP A 73 9.370 -3.997 6.971 1.00 25.22 H new ATOM 0 HB2 ASP A 73 9.268 -3.834 9.452 1.00 41.43 H new ATOM 0 HB3 ASP A 73 7.516 -3.883 9.408 1.00 41.43 H new ATOM 1194 N ASN A 74 6.060 -3.847 7.040 1.00 24.44 N ATOM 1195 CA ASN A 74 4.799 -4.378 6.523 1.00 25.22 C ATOM 1196 C ASN A 74 4.601 -4.019 5.042 1.00 15.24 C ATOM 1197 O ASN A 74 4.203 -4.867 4.242 1.00 43.54 O ATOM 1198 CB ASN A 74 3.617 -3.856 7.379 1.00 1.03 C ATOM 1199 CG ASN A 74 3.749 -4.142 8.891 1.00 2.31 C ATOM 1200 OD1 ASN A 74 3.238 -3.386 9.714 1.00 23.41 O ATOM 1201 ND2 ASN A 74 4.434 -5.220 9.283 1.00 51.20 N ATOM 0 H ASN A 74 5.936 -3.098 7.721 1.00 24.44 H new ATOM 0 HA ASN A 74 4.833 -5.465 6.591 1.00 25.22 H new ATOM 0 HB2 ASN A 74 3.525 -2.780 7.232 1.00 1.03 H new ATOM 0 HB3 ASN A 74 2.694 -4.307 7.015 1.00 1.03 H new ATOM 0 HD21 ASN A 74 4.538 -5.424 10.277 1.00 51.20 H new ATOM 0 HD22 ASN A 74 4.853 -5.839 8.588 1.00 51.20 H new ATOM 1208 N GLU A 75 4.922 -2.764 4.687 1.00 53.03 N ATOM 1209 CA GLU A 75 4.756 -2.232 3.316 1.00 13.13 C ATOM 1210 C GLU A 75 5.865 -2.748 2.370 1.00 44.20 C ATOM 1211 O GLU A 75 5.679 -2.802 1.148 1.00 20.33 O ATOM 1212 CB GLU A 75 4.694 -0.689 3.379 1.00 53.42 C ATOM 1213 CG GLU A 75 4.406 0.033 2.054 1.00 22.14 C ATOM 1214 CD GLU A 75 4.078 1.523 2.253 1.00 50.12 C ATOM 1215 OE1 GLU A 75 2.922 1.936 2.005 1.00 54.13 O ATOM 1216 OE2 GLU A 75 4.954 2.281 2.705 1.00 32.32 O ATOM 0 H GLU A 75 5.306 -2.084 5.343 1.00 53.03 H new ATOM 0 HA GLU A 75 3.819 -2.594 2.894 1.00 13.13 H new ATOM 0 HB2 GLU A 75 3.925 -0.406 4.098 1.00 53.42 H new ATOM 0 HB3 GLU A 75 5.644 -0.324 3.769 1.00 53.42 H new ATOM 0 HG2 GLU A 75 5.271 -0.061 1.398 1.00 22.14 H new ATOM 0 HG3 GLU A 75 3.571 -0.455 1.552 1.00 22.14 H new ATOM 1223 N GLN A 76 7.007 -3.148 2.958 1.00 5.34 N ATOM 1224 CA GLN A 76 8.084 -3.883 2.248 1.00 44.55 C ATOM 1225 C GLN A 76 7.573 -5.268 1.823 1.00 22.25 C ATOM 1226 O GLN A 76 7.799 -5.717 0.692 1.00 5.30 O ATOM 1227 CB GLN A 76 9.315 -4.049 3.179 1.00 44.43 C ATOM 1228 CG GLN A 76 10.474 -4.910 2.619 1.00 14.55 C ATOM 1229 CD GLN A 76 11.560 -5.249 3.651 1.00 43.41 C ATOM 1230 OE1 GLN A 76 11.176 -5.443 4.916 1.00 45.03 O flip ATOM 1231 NE2 GLN A 76 12.738 -5.368 3.311 1.00 4.33 N flip ATOM 0 H GLN A 76 7.215 -2.973 3.941 1.00 5.34 H new ATOM 0 HA GLN A 76 8.376 -3.317 1.364 1.00 44.55 H new ATOM 0 HB2 GLN A 76 9.705 -3.059 3.414 1.00 44.43 H new ATOM 0 HB3 GLN A 76 8.980 -4.491 4.117 1.00 44.43 H new ATOM 0 HG2 GLN A 76 10.063 -5.838 2.222 1.00 14.55 H new ATOM 0 HG3 GLN A 76 10.934 -4.382 1.784 1.00 14.55 H new ATOM 0 HE21 GLN A 76 13.006 -5.215 2.339 1.00 4.33 H new ATOM 0 HE22 GLN A 76 13.445 -5.620 4.002 1.00 4.33 H new ATOM 1240 N LEU A 77 6.882 -5.937 2.763 1.00 33.35 N ATOM 1241 CA LEU A 77 6.294 -7.263 2.531 1.00 23.55 C ATOM 1242 C LEU A 77 5.070 -7.175 1.598 1.00 73.24 C ATOM 1243 O LEU A 77 4.752 -8.141 0.910 1.00 20.33 O ATOM 1244 CB LEU A 77 5.921 -7.935 3.875 1.00 40.32 C ATOM 1245 CG LEU A 77 7.091 -8.201 4.873 1.00 73.40 C ATOM 1246 CD1 LEU A 77 6.564 -8.814 6.192 1.00 21.54 C ATOM 1247 CD2 LEU A 77 8.191 -9.080 4.231 1.00 41.32 C ATOM 0 H LEU A 77 6.717 -5.573 3.701 1.00 33.35 H new ATOM 0 HA LEU A 77 7.042 -7.882 2.035 1.00 23.55 H new ATOM 0 HB2 LEU A 77 5.182 -7.309 4.375 1.00 40.32 H new ATOM 0 HB3 LEU A 77 5.437 -8.887 3.657 1.00 40.32 H new ATOM 0 HG LEU A 77 7.549 -7.242 5.117 1.00 73.40 H new ATOM 0 HD11 LEU A 77 7.399 -8.990 6.871 1.00 21.54 H new ATOM 0 HD12 LEU A 77 5.858 -8.126 6.656 1.00 21.54 H new ATOM 0 HD13 LEU A 77 6.064 -9.759 5.980 1.00 21.54 H new ATOM 0 HD21 LEU A 77 8.991 -9.246 4.952 1.00 41.32 H new ATOM 0 HD22 LEU A 77 7.764 -10.038 3.935 1.00 41.32 H new ATOM 0 HD23 LEU A 77 8.594 -8.575 3.353 1.00 41.32 H new ATOM 1259 N LEU A 78 4.385 -6.014 1.586 1.00 61.31 N ATOM 1260 CA LEU A 78 3.324 -5.727 0.599 1.00 42.43 C ATOM 1261 C LEU A 78 3.940 -5.614 -0.796 1.00 2.43 C ATOM 1262 O LEU A 78 3.402 -6.141 -1.759 1.00 34.21 O ATOM 1263 CB LEU A 78 2.581 -4.409 0.927 1.00 33.41 C ATOM 1264 CG LEU A 78 1.727 -4.395 2.221 1.00 12.55 C ATOM 1265 CD1 LEU A 78 1.217 -2.964 2.503 1.00 43.03 C ATOM 1266 CD2 LEU A 78 0.571 -5.424 2.136 1.00 0.11 C ATOM 0 H LEU A 78 4.548 -5.258 2.251 1.00 61.31 H new ATOM 0 HA LEU A 78 2.606 -6.546 0.635 1.00 42.43 H new ATOM 0 HB2 LEU A 78 3.320 -3.611 0.998 1.00 33.41 H new ATOM 0 HB3 LEU A 78 1.930 -4.167 0.087 1.00 33.41 H new ATOM 0 HG LEU A 78 2.352 -4.696 3.062 1.00 12.55 H new ATOM 0 HD11 LEU A 78 0.618 -2.964 3.414 1.00 43.03 H new ATOM 0 HD12 LEU A 78 2.067 -2.293 2.627 1.00 43.03 H new ATOM 0 HD13 LEU A 78 0.606 -2.624 1.667 1.00 43.03 H new ATOM 0 HD21 LEU A 78 -0.012 -5.393 3.057 1.00 0.11 H new ATOM 0 HD22 LEU A 78 -0.072 -5.180 1.291 1.00 0.11 H new ATOM 0 HD23 LEU A 78 0.983 -6.424 2.001 1.00 0.11 H new ATOM 1278 N LYS A 79 5.088 -4.918 -0.874 1.00 32.23 N ATOM 1279 CA LYS A 79 5.822 -4.725 -2.131 1.00 2.13 C ATOM 1280 C LYS A 79 6.175 -6.087 -2.768 1.00 72.54 C ATOM 1281 O LYS A 79 5.831 -6.336 -3.921 1.00 12.44 O ATOM 1282 CB LYS A 79 7.089 -3.862 -1.889 1.00 14.31 C ATOM 1283 CG LYS A 79 7.948 -3.615 -3.147 1.00 11.34 C ATOM 1284 CD LYS A 79 9.130 -2.659 -2.884 1.00 34.24 C ATOM 1285 CE LYS A 79 10.024 -2.474 -4.118 1.00 1.32 C ATOM 1286 NZ LYS A 79 9.261 -1.987 -5.298 1.00 11.35 N ATOM 0 H LYS A 79 5.530 -4.476 -0.068 1.00 32.23 H new ATOM 0 HA LYS A 79 5.183 -4.189 -2.833 1.00 2.13 H new ATOM 0 HB2 LYS A 79 6.784 -2.899 -1.479 1.00 14.31 H new ATOM 0 HB3 LYS A 79 7.706 -4.349 -1.134 1.00 14.31 H new ATOM 0 HG2 LYS A 79 8.331 -4.568 -3.513 1.00 11.34 H new ATOM 0 HG3 LYS A 79 7.319 -3.200 -3.935 1.00 11.34 H new ATOM 0 HD2 LYS A 79 8.745 -1.689 -2.570 1.00 34.24 H new ATOM 0 HD3 LYS A 79 9.729 -3.046 -2.060 1.00 34.24 H new ATOM 0 HE2 LYS A 79 10.820 -1.766 -3.885 1.00 1.32 H new ATOM 0 HE3 LYS A 79 10.502 -3.422 -4.363 1.00 1.32 H new ATOM 0 HZ1 LYS A 79 9.878 -1.990 -6.135 1.00 11.35 H new ATOM 0 HZ2 LYS A 79 8.446 -2.611 -5.466 1.00 11.35 H new ATOM 0 HZ3 LYS A 79 8.925 -1.019 -5.119 1.00 11.35 H new ATOM 1300 N GLY A 80 6.787 -6.980 -1.969 1.00 12.10 N ATOM 1301 CA GLY A 80 7.175 -8.314 -2.440 1.00 1.51 C ATOM 1302 C GLY A 80 5.979 -9.201 -2.809 1.00 24.10 C ATOM 1303 O GLY A 80 5.870 -9.677 -3.950 1.00 3.03 O ATOM 0 H GLY A 80 7.022 -6.798 -0.993 1.00 12.10 H new ATOM 0 HA2 GLY A 80 7.823 -8.210 -3.310 1.00 1.51 H new ATOM 0 HA3 GLY A 80 7.760 -8.809 -1.665 1.00 1.51 H new ATOM 1307 N LEU A 81 5.063 -9.370 -1.837 1.00 14.11 N ATOM 1308 CA LEU A 81 3.908 -10.291 -1.940 1.00 2.51 C ATOM 1309 C LEU A 81 2.956 -9.859 -3.063 1.00 64.51 C ATOM 1310 O LEU A 81 2.616 -10.666 -3.939 1.00 34.34 O ATOM 1311 CB LEU A 81 3.189 -10.375 -0.552 1.00 10.10 C ATOM 1312 CG LEU A 81 2.037 -11.438 -0.345 1.00 53.22 C ATOM 1313 CD1 LEU A 81 1.779 -11.669 1.154 1.00 1.30 C ATOM 1314 CD2 LEU A 81 0.700 -11.033 -1.022 1.00 44.43 C ATOM 0 H LEU A 81 5.101 -8.869 -0.950 1.00 14.11 H new ATOM 0 HA LEU A 81 4.260 -11.288 -2.203 1.00 2.51 H new ATOM 0 HB2 LEU A 81 3.952 -10.567 0.202 1.00 10.10 H new ATOM 0 HB3 LEU A 81 2.770 -9.391 -0.339 1.00 10.10 H new ATOM 0 HG LEU A 81 2.388 -12.353 -0.821 1.00 53.22 H new ATOM 0 HD11 LEU A 81 0.983 -12.403 1.277 1.00 1.30 H new ATOM 0 HD12 LEU A 81 2.689 -12.037 1.627 1.00 1.30 H new ATOM 0 HD13 LEU A 81 1.482 -10.730 1.621 1.00 1.30 H new ATOM 0 HD21 LEU A 81 -0.048 -11.805 -0.842 1.00 44.43 H new ATOM 0 HD22 LEU A 81 0.353 -10.087 -0.605 1.00 44.43 H new ATOM 0 HD23 LEU A 81 0.855 -10.921 -2.095 1.00 44.43 H new ATOM 1326 N LEU A 82 2.514 -8.588 -3.020 1.00 62.44 N ATOM 1327 CA LEU A 82 1.549 -8.057 -3.996 1.00 24.43 C ATOM 1328 C LEU A 82 2.175 -7.964 -5.400 1.00 14.12 C ATOM 1329 O LEU A 82 1.449 -8.069 -6.372 1.00 24.34 O ATOM 1330 CB LEU A 82 0.968 -6.681 -3.555 1.00 71.54 C ATOM 1331 CG LEU A 82 0.236 -6.639 -2.172 1.00 2.21 C ATOM 1332 CD1 LEU A 82 -0.252 -5.208 -1.838 1.00 34.41 C ATOM 1333 CD2 LEU A 82 -0.917 -7.661 -2.121 1.00 1.21 C ATOM 0 H LEU A 82 2.812 -7.910 -2.318 1.00 62.44 H new ATOM 0 HA LEU A 82 0.718 -8.761 -4.038 1.00 24.43 H new ATOM 0 HB2 LEU A 82 1.784 -5.959 -3.530 1.00 71.54 H new ATOM 0 HB3 LEU A 82 0.269 -6.345 -4.321 1.00 71.54 H new ATOM 0 HG LEU A 82 0.956 -6.922 -1.404 1.00 2.21 H new ATOM 0 HD11 LEU A 82 -0.756 -5.212 -0.872 1.00 34.41 H new ATOM 0 HD12 LEU A 82 0.602 -4.532 -1.799 1.00 34.41 H new ATOM 0 HD13 LEU A 82 -0.946 -4.871 -2.608 1.00 34.41 H new ATOM 0 HD21 LEU A 82 -1.407 -7.609 -1.149 1.00 1.21 H new ATOM 0 HD22 LEU A 82 -1.640 -7.433 -2.904 1.00 1.21 H new ATOM 0 HD23 LEU A 82 -0.521 -8.665 -2.274 1.00 1.21 H new ATOM 1345 N GLN A 83 3.520 -7.771 -5.506 1.00 43.23 N ATOM 1346 CA GLN A 83 4.219 -7.813 -6.822 1.00 25.20 C ATOM 1347 C GLN A 83 4.070 -9.197 -7.463 1.00 3.23 C ATOM 1348 O GLN A 83 3.819 -9.301 -8.668 1.00 21.13 O ATOM 1349 CB GLN A 83 5.721 -7.458 -6.684 1.00 55.13 C ATOM 1350 CG GLN A 83 6.525 -7.481 -8.005 1.00 41.42 C ATOM 1351 CD GLN A 83 8.020 -7.184 -7.845 1.00 4.34 C ATOM 1352 OE1 GLN A 83 8.608 -7.564 -6.714 1.00 53.12 O flip ATOM 1353 NE2 GLN A 83 8.653 -6.633 -8.745 1.00 32.41 N flip ATOM 0 H GLN A 83 4.132 -7.588 -4.711 1.00 43.23 H new ATOM 0 HA GLN A 83 3.752 -7.065 -7.463 1.00 25.20 H new ATOM 0 HB2 GLN A 83 5.805 -6.465 -6.243 1.00 55.13 H new ATOM 0 HB3 GLN A 83 6.181 -8.157 -5.985 1.00 55.13 H new ATOM 0 HG2 GLN A 83 6.410 -8.461 -8.469 1.00 41.42 H new ATOM 0 HG3 GLN A 83 6.094 -6.751 -8.691 1.00 41.42 H new ATOM 0 HE21 GLN A 83 8.179 -6.351 -9.603 1.00 32.41 H new ATOM 0 HE22 GLN A 83 9.652 -6.458 -8.633 1.00 32.41 H new ATOM 1362 N GLN A 84 4.223 -10.249 -6.633 1.00 54.43 N ATOM 1363 CA GLN A 84 4.014 -11.644 -7.057 1.00 30.44 C ATOM 1364 C GLN A 84 2.567 -11.843 -7.552 1.00 32.13 C ATOM 1365 O GLN A 84 2.352 -12.378 -8.638 1.00 50.55 O ATOM 1366 CB GLN A 84 4.325 -12.620 -5.895 1.00 13.25 C ATOM 1367 CG GLN A 84 5.791 -12.603 -5.408 1.00 30.32 C ATOM 1368 CD GLN A 84 6.087 -13.595 -4.274 1.00 33.31 C ATOM 1369 OE1 GLN A 84 6.923 -13.334 -3.406 1.00 43.03 O ATOM 1370 NE2 GLN A 84 5.430 -14.756 -4.277 1.00 2.53 N ATOM 0 H GLN A 84 4.494 -10.154 -5.654 1.00 54.43 H new ATOM 0 HA GLN A 84 4.697 -11.860 -7.879 1.00 30.44 H new ATOM 0 HB2 GLN A 84 3.675 -12.380 -5.054 1.00 13.25 H new ATOM 0 HB3 GLN A 84 4.074 -13.632 -6.213 1.00 13.25 H new ATOM 0 HG2 GLN A 84 6.445 -12.826 -6.251 1.00 30.32 H new ATOM 0 HG3 GLN A 84 6.038 -11.597 -5.070 1.00 30.32 H new ATOM 0 HE21 GLN A 84 4.742 -14.951 -5.005 1.00 2.53 H new ATOM 0 HE22 GLN A 84 5.615 -15.449 -3.552 1.00 2.53 H new ATOM 1379 N ARG A 85 1.592 -11.344 -6.759 1.00 15.53 N ATOM 1380 CA ARG A 85 0.157 -11.446 -7.083 1.00 63.31 C ATOM 1381 C ARG A 85 -0.159 -10.771 -8.431 1.00 74.51 C ATOM 1382 O ARG A 85 -0.767 -11.381 -9.299 1.00 70.22 O ATOM 1383 CB ARG A 85 -0.709 -10.819 -5.959 1.00 72.32 C ATOM 1384 CG ARG A 85 -0.587 -11.483 -4.569 1.00 4.30 C ATOM 1385 CD ARG A 85 -1.076 -12.951 -4.521 1.00 21.01 C ATOM 1386 NE ARG A 85 -0.132 -13.910 -5.134 1.00 41.34 N ATOM 1387 CZ ARG A 85 0.610 -14.815 -4.470 1.00 53.45 C ATOM 1388 NH1 ARG A 85 0.537 -14.923 -3.147 1.00 4.41 N ATOM 1389 NH2 ARG A 85 1.422 -15.616 -5.144 1.00 4.53 N ATOM 0 H ARG A 85 1.780 -10.862 -5.880 1.00 15.53 H new ATOM 0 HA ARG A 85 -0.087 -12.505 -7.163 1.00 63.31 H new ATOM 0 HB2 ARG A 85 -0.441 -9.767 -5.863 1.00 72.32 H new ATOM 0 HB3 ARG A 85 -1.754 -10.855 -6.268 1.00 72.32 H new ATOM 0 HG2 ARG A 85 0.456 -11.449 -4.253 1.00 4.30 H new ATOM 0 HG3 ARG A 85 -1.158 -10.898 -3.848 1.00 4.30 H new ATOM 0 HD2 ARG A 85 -1.246 -13.235 -3.482 1.00 21.01 H new ATOM 0 HD3 ARG A 85 -2.036 -13.022 -5.032 1.00 21.01 H new ATOM 0 HE ARG A 85 -0.035 -13.883 -6.149 1.00 41.34 H new ATOM 0 HH11 ARG A 85 -0.089 -14.314 -2.619 1.00 4.41 H new ATOM 0 HH12 ARG A 85 1.107 -15.615 -2.660 1.00 4.41 H new ATOM 0 HH21 ARG A 85 1.482 -15.544 -6.160 1.00 4.53 H new ATOM 0 HH22 ARG A 85 1.987 -16.304 -4.647 1.00 4.53 H new ATOM 1403 N LEU A 86 0.326 -9.527 -8.588 1.00 11.32 N ATOM 1404 CA LEU A 86 0.085 -8.678 -9.777 1.00 60.14 C ATOM 1405 C LEU A 86 0.754 -9.242 -11.033 1.00 4.44 C ATOM 1406 O LEU A 86 0.238 -9.086 -12.139 1.00 23.51 O ATOM 1407 CB LEU A 86 0.616 -7.248 -9.506 1.00 64.33 C ATOM 1408 CG LEU A 86 -0.166 -6.436 -8.438 1.00 43.43 C ATOM 1409 CD1 LEU A 86 0.547 -5.109 -8.105 1.00 63.11 C ATOM 1410 CD2 LEU A 86 -1.615 -6.212 -8.897 1.00 13.00 C ATOM 0 H LEU A 86 0.906 -9.072 -7.883 1.00 11.32 H new ATOM 0 HA LEU A 86 -0.990 -8.657 -9.956 1.00 60.14 H new ATOM 0 HB2 LEU A 86 1.657 -7.319 -9.192 1.00 64.33 H new ATOM 0 HB3 LEU A 86 0.603 -6.691 -10.443 1.00 64.33 H new ATOM 0 HG LEU A 86 -0.193 -7.015 -7.515 1.00 43.43 H new ATOM 0 HD11 LEU A 86 -0.027 -4.566 -7.354 1.00 63.11 H new ATOM 0 HD12 LEU A 86 1.544 -5.319 -7.717 1.00 63.11 H new ATOM 0 HD13 LEU A 86 0.629 -4.503 -9.008 1.00 63.11 H new ATOM 0 HD21 LEU A 86 -2.153 -5.642 -8.140 1.00 13.00 H new ATOM 0 HD22 LEU A 86 -1.618 -5.660 -9.837 1.00 13.00 H new ATOM 0 HD23 LEU A 86 -2.104 -7.175 -9.041 1.00 13.00 H new ATOM 1422 N ASP A 87 1.916 -9.879 -10.832 1.00 55.51 N ATOM 1423 CA ASP A 87 2.677 -10.541 -11.904 1.00 74.45 C ATOM 1424 C ASP A 87 1.839 -11.684 -12.496 1.00 43.41 C ATOM 1425 O ASP A 87 1.697 -11.807 -13.718 1.00 24.04 O ATOM 1426 CB ASP A 87 4.016 -11.080 -11.335 1.00 52.02 C ATOM 1427 CG ASP A 87 4.894 -11.785 -12.383 1.00 33.24 C ATOM 1428 OD1 ASP A 87 5.683 -11.099 -13.076 1.00 1.13 O ATOM 1429 OD2 ASP A 87 4.798 -13.024 -12.529 1.00 12.44 O ATOM 0 H ASP A 87 2.358 -9.951 -9.916 1.00 55.51 H new ATOM 0 HA ASP A 87 2.900 -9.825 -12.695 1.00 74.45 H new ATOM 0 HB2 ASP A 87 4.577 -10.251 -10.902 1.00 52.02 H new ATOM 0 HB3 ASP A 87 3.802 -11.777 -10.525 1.00 52.02 H new ATOM 1434 N GLU A 88 1.255 -12.479 -11.589 1.00 43.43 N ATOM 1435 CA GLU A 88 0.417 -13.633 -11.936 1.00 33.24 C ATOM 1436 C GLU A 88 -0.923 -13.180 -12.537 1.00 72.03 C ATOM 1437 O GLU A 88 -1.371 -13.757 -13.517 1.00 34.21 O ATOM 1438 CB GLU A 88 0.191 -14.497 -10.682 1.00 20.24 C ATOM 1439 CG GLU A 88 1.500 -15.016 -10.052 1.00 13.24 C ATOM 1440 CD GLU A 88 1.323 -15.549 -8.630 1.00 60.33 C ATOM 1441 OE1 GLU A 88 1.828 -16.645 -8.306 1.00 62.21 O ATOM 1442 OE2 GLU A 88 0.685 -14.861 -7.818 1.00 51.00 O ATOM 0 H GLU A 88 1.353 -12.337 -10.584 1.00 43.43 H new ATOM 0 HA GLU A 88 0.930 -14.228 -12.692 1.00 33.24 H new ATOM 0 HB2 GLU A 88 -0.354 -13.913 -9.940 1.00 20.24 H new ATOM 0 HB3 GLU A 88 -0.439 -15.347 -10.944 1.00 20.24 H new ATOM 0 HG2 GLU A 88 1.907 -15.808 -10.680 1.00 13.24 H new ATOM 0 HG3 GLU A 88 2.233 -14.210 -10.041 1.00 13.24 H new ATOM 1449 N LEU A 89 -1.527 -12.118 -11.955 1.00 54.05 N ATOM 1450 CA LEU A 89 -2.800 -11.538 -12.441 1.00 13.54 C ATOM 1451 C LEU A 89 -2.626 -10.980 -13.864 1.00 30.53 C ATOM 1452 O LEU A 89 -3.503 -11.148 -14.708 1.00 71.45 O ATOM 1453 CB LEU A 89 -3.325 -10.425 -11.477 1.00 4.32 C ATOM 1454 CG LEU A 89 -3.779 -10.895 -10.053 1.00 10.23 C ATOM 1455 CD1 LEU A 89 -4.180 -9.692 -9.164 1.00 33.31 C ATOM 1456 CD2 LEU A 89 -4.920 -11.936 -10.145 1.00 3.23 C ATOM 0 H LEU A 89 -1.147 -11.641 -11.138 1.00 54.05 H new ATOM 0 HA LEU A 89 -3.543 -12.335 -12.464 1.00 13.54 H new ATOM 0 HB2 LEU A 89 -2.540 -9.679 -11.356 1.00 4.32 H new ATOM 0 HB3 LEU A 89 -4.167 -9.926 -11.957 1.00 4.32 H new ATOM 0 HG LEU A 89 -2.927 -11.382 -9.578 1.00 10.23 H new ATOM 0 HD11 LEU A 89 -4.490 -10.052 -8.183 1.00 33.31 H new ATOM 0 HD12 LEU A 89 -3.327 -9.022 -9.052 1.00 33.31 H new ATOM 0 HD13 LEU A 89 -5.005 -9.154 -9.630 1.00 33.31 H new ATOM 0 HD21 LEU A 89 -5.214 -12.243 -9.141 1.00 3.23 H new ATOM 0 HD22 LEU A 89 -5.776 -11.493 -10.654 1.00 3.23 H new ATOM 0 HD23 LEU A 89 -4.575 -12.806 -10.704 1.00 3.23 H new ATOM 1468 N SER A 90 -1.462 -10.362 -14.119 1.00 62.21 N ATOM 1469 CA SER A 90 -1.087 -9.858 -15.453 1.00 63.50 C ATOM 1470 C SER A 90 -0.884 -11.030 -16.428 1.00 14.22 C ATOM 1471 O SER A 90 -1.214 -10.928 -17.613 1.00 11.05 O ATOM 1472 CB SER A 90 0.209 -9.021 -15.361 1.00 61.32 C ATOM 1473 OG SER A 90 0.570 -8.463 -16.614 1.00 54.13 O ATOM 0 H SER A 90 -0.752 -10.197 -13.406 1.00 62.21 H new ATOM 0 HA SER A 90 -1.893 -9.225 -15.825 1.00 63.50 H new ATOM 0 HB2 SER A 90 0.073 -8.221 -14.633 1.00 61.32 H new ATOM 0 HB3 SER A 90 1.021 -9.649 -14.996 1.00 61.32 H new ATOM 0 HG SER A 90 1.393 -7.940 -16.514 1.00 54.13 H new ATOM 1479 N SER A 91 -0.340 -12.146 -15.903 1.00 73.32 N ATOM 1480 CA SER A 91 -0.126 -13.380 -16.679 1.00 4.13 C ATOM 1481 C SER A 91 -1.479 -14.038 -17.035 1.00 23.01 C ATOM 1482 O SER A 91 -1.614 -14.649 -18.100 1.00 43.13 O ATOM 1483 CB SER A 91 0.776 -14.361 -15.886 1.00 41.53 C ATOM 1484 OG SER A 91 1.125 -15.498 -16.659 1.00 32.45 O ATOM 0 H SER A 91 -0.038 -12.215 -14.931 1.00 73.32 H new ATOM 0 HA SER A 91 0.380 -13.126 -17.610 1.00 4.13 H new ATOM 0 HB2 SER A 91 1.682 -13.845 -15.568 1.00 41.53 H new ATOM 0 HB3 SER A 91 0.258 -14.681 -14.982 1.00 41.53 H new ATOM 0 HG SER A 91 1.695 -16.093 -16.128 1.00 32.45 H new ATOM 1490 N LEU A 92 -2.482 -13.877 -16.141 1.00 22.34 N ATOM 1491 CA LEU A 92 -3.847 -14.395 -16.359 1.00 32.12 C ATOM 1492 C LEU A 92 -4.545 -13.585 -17.466 1.00 2.15 C ATOM 1493 O LEU A 92 -5.071 -14.155 -18.422 1.00 55.04 O ATOM 1494 CB LEU A 92 -4.690 -14.350 -15.047 1.00 33.13 C ATOM 1495 CG LEU A 92 -4.119 -15.128 -13.815 1.00 60.42 C ATOM 1496 CD1 LEU A 92 -5.112 -15.135 -12.630 1.00 63.15 C ATOM 1497 CD2 LEU A 92 -3.666 -16.555 -14.195 1.00 62.42 C ATOM 0 H LEU A 92 -2.366 -13.387 -15.254 1.00 22.34 H new ATOM 0 HA LEU A 92 -3.767 -15.437 -16.669 1.00 32.12 H new ATOM 0 HB2 LEU A 92 -4.817 -13.306 -14.760 1.00 33.13 H new ATOM 0 HB3 LEU A 92 -5.682 -14.743 -15.267 1.00 33.13 H new ATOM 0 HG LEU A 92 -3.230 -14.591 -13.483 1.00 60.42 H new ATOM 0 HD11 LEU A 92 -4.678 -15.685 -11.795 1.00 63.15 H new ATOM 0 HD12 LEU A 92 -5.318 -14.110 -12.322 1.00 63.15 H new ATOM 0 HD13 LEU A 92 -6.041 -15.615 -12.937 1.00 63.15 H new ATOM 0 HD21 LEU A 92 -3.276 -17.060 -13.311 1.00 62.42 H new ATOM 0 HD22 LEU A 92 -4.515 -17.114 -14.588 1.00 62.42 H new ATOM 0 HD23 LEU A 92 -2.886 -16.499 -14.954 1.00 62.42 H new ATOM 1509 N ILE A 93 -4.494 -12.242 -17.320 1.00 41.20 N ATOM 1510 CA ILE A 93 -5.072 -11.272 -18.281 1.00 20.43 C ATOM 1511 C ILE A 93 -4.382 -11.396 -19.656 1.00 0.22 C ATOM 1512 O ILE A 93 -5.026 -11.274 -20.701 1.00 3.44 O ATOM 1513 CB ILE A 93 -4.938 -9.791 -17.732 1.00 23.22 C ATOM 1514 CG1 ILE A 93 -5.678 -9.640 -16.359 1.00 63.03 C ATOM 1515 CG2 ILE A 93 -5.458 -8.739 -18.750 1.00 44.42 C ATOM 1516 CD1 ILE A 93 -5.423 -8.321 -15.641 1.00 12.33 C ATOM 0 H ILE A 93 -4.045 -11.794 -16.521 1.00 41.20 H new ATOM 0 HA ILE A 93 -6.131 -11.502 -18.400 1.00 20.43 H new ATOM 0 HB ILE A 93 -3.875 -9.599 -17.582 1.00 23.22 H new ATOM 0 HG12 ILE A 93 -6.750 -9.746 -16.526 1.00 63.03 H new ATOM 0 HG13 ILE A 93 -5.374 -10.458 -15.706 1.00 63.03 H new ATOM 0 HG21 ILE A 93 -5.346 -7.740 -18.330 1.00 44.42 H new ATOM 0 HG22 ILE A 93 -4.883 -8.811 -19.673 1.00 44.42 H new ATOM 0 HG23 ILE A 93 -6.510 -8.927 -18.962 1.00 44.42 H new ATOM 0 HD11 ILE A 93 -5.975 -8.306 -14.701 1.00 12.33 H new ATOM 0 HD12 ILE A 93 -4.357 -8.218 -15.437 1.00 12.33 H new ATOM 0 HD13 ILE A 93 -5.754 -7.495 -16.270 1.00 12.33 H new ATOM 1528 N GLY A 94 -3.071 -11.696 -19.630 1.00 62.31 N ATOM 1529 CA GLY A 94 -2.272 -11.853 -20.849 1.00 44.40 C ATOM 1530 C GLY A 94 -2.682 -13.060 -21.699 1.00 70.33 C ATOM 1531 O GLY A 94 -2.337 -13.133 -22.881 1.00 23.14 O ATOM 0 H GLY A 94 -2.543 -11.835 -18.768 1.00 62.31 H new ATOM 0 HA2 GLY A 94 -2.361 -10.948 -21.451 1.00 44.40 H new ATOM 0 HA3 GLY A 94 -1.222 -11.952 -20.575 1.00 44.40 H new ATOM 1535 N GLN A 95 -3.413 -14.011 -21.088 1.00 1.21 N ATOM 1536 CA GLN A 95 -3.935 -15.206 -21.778 1.00 30.11 C ATOM 1537 C GLN A 95 -5.431 -15.024 -22.118 1.00 73.03 C ATOM 1538 O GLN A 95 -5.837 -15.163 -23.281 1.00 62.55 O ATOM 1539 CB GLN A 95 -3.729 -16.468 -20.890 1.00 21.14 C ATOM 1540 CG GLN A 95 -2.265 -16.754 -20.494 1.00 31.25 C ATOM 1541 CD GLN A 95 -1.321 -16.940 -21.685 1.00 53.31 C ATOM 1542 OE1 GLN A 95 -0.699 -15.988 -22.155 1.00 61.43 O ATOM 1543 NE2 GLN A 95 -1.219 -18.160 -22.189 1.00 21.04 N ATOM 0 H GLN A 95 -3.659 -13.972 -20.099 1.00 1.21 H new ATOM 0 HA GLN A 95 -3.386 -15.339 -22.710 1.00 30.11 H new ATOM 0 HB2 GLN A 95 -4.320 -16.355 -19.981 1.00 21.14 H new ATOM 0 HB3 GLN A 95 -4.122 -17.335 -21.420 1.00 21.14 H new ATOM 0 HG2 GLN A 95 -1.899 -15.932 -19.879 1.00 31.25 H new ATOM 0 HG3 GLN A 95 -2.235 -17.652 -19.877 1.00 31.25 H new ATOM 0 HE21 GLN A 95 -1.748 -18.928 -21.776 1.00 21.04 H new ATOM 0 HE22 GLN A 95 -0.611 -18.332 -22.990 1.00 21.04 H new ATOM 1552 N VAL A 96 -6.240 -14.690 -21.089 1.00 71.11 N ATOM 1553 CA VAL A 96 -7.720 -14.669 -21.192 1.00 75.32 C ATOM 1554 C VAL A 96 -8.225 -13.472 -22.017 1.00 22.13 C ATOM 1555 O VAL A 96 -9.253 -13.567 -22.691 1.00 11.13 O ATOM 1556 CB VAL A 96 -8.416 -14.692 -19.773 1.00 21.41 C ATOM 1557 CG1 VAL A 96 -7.974 -15.938 -18.973 1.00 54.30 C ATOM 1558 CG2 VAL A 96 -8.170 -13.387 -18.970 1.00 2.10 C ATOM 0 H VAL A 96 -5.890 -14.428 -20.167 1.00 71.11 H new ATOM 0 HA VAL A 96 -7.999 -15.582 -21.718 1.00 75.32 H new ATOM 0 HB VAL A 96 -9.491 -14.752 -19.940 1.00 21.41 H new ATOM 0 HG11 VAL A 96 -8.463 -15.937 -17.999 1.00 54.30 H new ATOM 0 HG12 VAL A 96 -8.254 -16.839 -19.519 1.00 54.30 H new ATOM 0 HG13 VAL A 96 -6.893 -15.918 -18.836 1.00 54.30 H new ATOM 0 HG21 VAL A 96 -8.669 -13.455 -18.004 1.00 2.10 H new ATOM 0 HG22 VAL A 96 -7.100 -13.251 -18.817 1.00 2.10 H new ATOM 0 HG23 VAL A 96 -8.568 -12.538 -19.525 1.00 2.10 H new ATOM 1568 N LEU A 97 -7.497 -12.346 -21.959 1.00 14.53 N ATOM 1569 CA LEU A 97 -7.843 -11.141 -22.731 1.00 14.42 C ATOM 1570 C LEU A 97 -6.978 -11.138 -24.004 1.00 72.22 C ATOM 1571 O LEU A 97 -5.753 -10.966 -23.937 1.00 12.21 O ATOM 1572 CB LEU A 97 -7.615 -9.844 -21.870 1.00 44.20 C ATOM 1573 CG LEU A 97 -8.483 -8.568 -22.207 1.00 62.14 C ATOM 1574 CD1 LEU A 97 -8.115 -7.380 -21.282 1.00 12.24 C ATOM 1575 CD2 LEU A 97 -8.399 -8.146 -23.692 1.00 4.43 C ATOM 0 H LEU A 97 -6.661 -12.244 -21.383 1.00 14.53 H new ATOM 0 HA LEU A 97 -8.898 -11.150 -23.005 1.00 14.42 H new ATOM 0 HB2 LEU A 97 -7.791 -10.101 -20.826 1.00 44.20 H new ATOM 0 HB3 LEU A 97 -6.565 -9.566 -21.957 1.00 44.20 H new ATOM 0 HG LEU A 97 -9.519 -8.853 -22.022 1.00 62.14 H new ATOM 0 HD11 LEU A 97 -8.729 -6.516 -21.538 1.00 12.24 H new ATOM 0 HD12 LEU A 97 -8.295 -7.658 -20.244 1.00 12.24 H new ATOM 0 HD13 LEU A 97 -7.062 -7.129 -21.413 1.00 12.24 H new ATOM 0 HD21 LEU A 97 -9.018 -7.264 -23.855 1.00 4.43 H new ATOM 0 HD22 LEU A 97 -7.365 -7.916 -23.947 1.00 4.43 H new ATOM 0 HD23 LEU A 97 -8.755 -8.961 -24.322 1.00 4.43 H new ATOM 1587 N PHE A 98 -7.635 -11.343 -25.154 1.00 74.10 N ATOM 1588 CA PHE A 98 -7.020 -11.201 -26.473 1.00 22.32 C ATOM 1589 C PHE A 98 -7.181 -9.737 -26.900 1.00 71.53 C ATOM 1590 O PHE A 98 -8.211 -9.347 -27.446 1.00 23.33 O ATOM 1591 CB PHE A 98 -7.675 -12.179 -27.490 1.00 43.01 C ATOM 1592 CG PHE A 98 -7.555 -13.650 -27.081 1.00 63.21 C ATOM 1593 CD1 PHE A 98 -6.329 -14.306 -27.157 1.00 62.34 C ATOM 1594 CD2 PHE A 98 -8.659 -14.371 -26.617 1.00 21.53 C ATOM 1595 CE1 PHE A 98 -6.206 -15.633 -26.783 1.00 54.51 C ATOM 1596 CE2 PHE A 98 -8.535 -15.699 -26.244 1.00 64.22 C ATOM 1597 CZ PHE A 98 -7.309 -16.327 -26.327 1.00 13.23 C ATOM 0 H PHE A 98 -8.618 -11.615 -25.191 1.00 74.10 H new ATOM 0 HA PHE A 98 -5.961 -11.457 -26.439 1.00 22.32 H new ATOM 0 HB2 PHE A 98 -8.729 -11.925 -27.600 1.00 43.01 H new ATOM 0 HB3 PHE A 98 -7.210 -12.042 -28.466 1.00 43.01 H new ATOM 0 HD1 PHE A 98 -5.461 -13.771 -27.513 1.00 62.34 H new ATOM 0 HD2 PHE A 98 -9.622 -13.886 -26.548 1.00 21.53 H new ATOM 0 HE1 PHE A 98 -5.247 -16.126 -26.848 1.00 54.51 H new ATOM 0 HE2 PHE A 98 -9.398 -16.243 -25.888 1.00 64.22 H new ATOM 0 HZ PHE A 98 -7.212 -17.362 -26.035 1.00 13.23 H new ATOM 1607 N GLN A 99 -6.170 -8.920 -26.560 1.00 22.11 N ATOM 1608 CA GLN A 99 -6.212 -7.450 -26.732 1.00 31.22 C ATOM 1609 C GLN A 99 -5.990 -7.019 -28.199 1.00 0.14 C ATOM 1610 O GLN A 99 -6.189 -5.847 -28.542 1.00 73.22 O ATOM 1611 CB GLN A 99 -5.193 -6.781 -25.749 1.00 2.23 C ATOM 1612 CG GLN A 99 -3.735 -7.328 -25.785 1.00 61.53 C ATOM 1613 CD GLN A 99 -2.898 -6.869 -26.994 1.00 64.42 C ATOM 1614 OE1 GLN A 99 -3.072 -5.760 -27.505 1.00 41.40 O ATOM 1615 NE2 GLN A 99 -1.996 -7.716 -27.471 1.00 72.43 N ATOM 0 H GLN A 99 -5.296 -9.257 -26.157 1.00 22.11 H new ATOM 0 HA GLN A 99 -7.214 -7.101 -26.482 1.00 31.22 H new ATOM 0 HB2 GLN A 99 -5.163 -5.713 -25.963 1.00 2.23 H new ATOM 0 HB3 GLN A 99 -5.574 -6.892 -24.734 1.00 2.23 H new ATOM 0 HG2 GLN A 99 -3.225 -7.022 -24.872 1.00 61.53 H new ATOM 0 HG3 GLN A 99 -3.771 -8.417 -25.780 1.00 61.53 H new ATOM 0 HE21 GLN A 99 -1.870 -8.628 -27.032 1.00 72.43 H new ATOM 0 HE22 GLN A 99 -1.428 -7.456 -28.277 1.00 72.43 H new ATOM 1624 N GLY A 100 -5.582 -7.977 -29.045 1.00 73.21 N ATOM 1625 CA GLY A 100 -5.339 -7.733 -30.462 1.00 44.41 C ATOM 1626 C GLY A 100 -5.266 -9.041 -31.250 1.00 10.21 C ATOM 1627 O GLY A 100 -6.242 -9.406 -31.920 1.00 11.42 O ATOM 0 H GLY A 100 -5.413 -8.941 -28.759 1.00 73.21 H new ATOM 0 HA2 GLY A 100 -6.134 -7.107 -30.866 1.00 44.41 H new ATOM 0 HA3 GLY A 100 -4.407 -7.181 -30.583 1.00 44.41 H new ATOM 1631 N PRO A 101 -4.123 -9.799 -31.164 1.00 24.42 N ATOM 1632 CA PRO A 101 -3.923 -11.047 -31.942 1.00 62.14 C ATOM 1633 C PRO A 101 -4.762 -12.232 -31.402 1.00 43.34 C ATOM 1634 O PRO A 101 -5.355 -12.147 -30.316 1.00 73.41 O ATOM 1635 CB PRO A 101 -2.401 -11.299 -31.802 1.00 52.25 C ATOM 1636 CG PRO A 101 -2.041 -10.715 -30.473 1.00 14.41 C ATOM 1637 CD PRO A 101 -2.941 -9.505 -30.296 1.00 53.51 C ATOM 0 HA PRO A 101 -4.252 -10.954 -32.977 1.00 62.14 H new ATOM 0 HB2 PRO A 101 -2.170 -12.364 -31.842 1.00 52.25 H new ATOM 0 HB3 PRO A 101 -1.845 -10.821 -32.608 1.00 52.25 H new ATOM 0 HG2 PRO A 101 -2.197 -11.439 -29.673 1.00 14.41 H new ATOM 0 HG3 PRO A 101 -0.990 -10.428 -30.444 1.00 14.41 H new ATOM 0 HD2 PRO A 101 -3.234 -9.375 -29.254 1.00 53.51 H new ATOM 0 HD3 PRO A 101 -2.440 -8.587 -30.603 1.00 53.51 H new ATOM 1645 N SER A 102 -4.803 -13.320 -32.207 1.00 43.14 N ATOM 1646 CA SER A 102 -5.565 -14.564 -31.925 1.00 21.33 C ATOM 1647 C SER A 102 -7.093 -14.343 -31.960 1.00 53.21 C ATOM 1648 O SER A 102 -7.865 -15.178 -31.474 1.00 30.12 O ATOM 1649 CB SER A 102 -5.101 -15.219 -30.597 1.00 22.54 C ATOM 1650 OG SER A 102 -3.708 -15.496 -30.640 1.00 33.12 O ATOM 0 H SER A 102 -4.296 -13.360 -33.091 1.00 43.14 H new ATOM 0 HA SER A 102 -5.343 -15.263 -32.731 1.00 21.33 H new ATOM 0 HB2 SER A 102 -5.320 -14.555 -29.761 1.00 22.54 H new ATOM 0 HB3 SER A 102 -5.656 -16.141 -30.426 1.00 22.54 H new ATOM 0 HG SER A 102 -3.430 -15.907 -29.795 1.00 33.12 H new ATOM 1656 N ALA A 103 -7.517 -13.239 -32.591 1.00 25.42 N ATOM 1657 CA ALA A 103 -8.936 -12.906 -32.798 1.00 44.21 C ATOM 1658 C ALA A 103 -9.183 -12.676 -34.295 1.00 43.24 C ATOM 1659 O ALA A 103 -8.458 -11.898 -34.930 1.00 63.42 O ATOM 1660 CB ALA A 103 -9.325 -11.666 -31.973 1.00 40.31 C ATOM 0 H ALA A 103 -6.878 -12.544 -32.977 1.00 25.42 H new ATOM 0 HA ALA A 103 -9.560 -13.733 -32.459 1.00 44.21 H new ATOM 0 HB1 ALA A 103 -10.377 -11.434 -32.138 1.00 40.31 H new ATOM 0 HB2 ALA A 103 -9.160 -11.867 -30.914 1.00 40.31 H new ATOM 0 HB3 ALA A 103 -8.714 -10.818 -32.281 1.00 40.31 H new ATOM 1666 N GLY A 104 -10.195 -13.370 -34.851 1.00 71.34 N ATOM 1667 CA GLY A 104 -10.593 -13.203 -36.255 1.00 60.54 C ATOM 1668 C GLY A 104 -11.334 -11.888 -36.520 1.00 53.12 C ATOM 1669 O GLY A 104 -11.627 -11.559 -37.673 1.00 65.32 O ATOM 0 H GLY A 104 -10.753 -14.055 -34.342 1.00 71.34 H new ATOM 0 HA2 GLY A 104 -9.705 -13.245 -36.885 1.00 60.54 H new ATOM 0 HA3 GLY A 104 -11.231 -14.037 -36.547 1.00 60.54 H new ATOM 1673 N LEU A 105 -11.655 -11.152 -35.438 1.00 63.24 N ATOM 1674 CA LEU A 105 -12.249 -9.803 -35.492 1.00 1.52 C ATOM 1675 C LEU A 105 -11.282 -8.769 -34.881 1.00 20.41 C ATOM 1676 O LEU A 105 -10.130 -9.097 -34.581 1.00 52.44 O ATOM 1677 CB LEU A 105 -13.655 -9.810 -34.790 1.00 3.52 C ATOM 1678 CG LEU A 105 -13.786 -10.550 -33.402 1.00 51.31 C ATOM 1679 CD1 LEU A 105 -13.057 -9.834 -32.242 1.00 64.21 C ATOM 1680 CD2 LEU A 105 -15.269 -10.799 -33.043 1.00 52.40 C ATOM 0 H LEU A 105 -11.506 -11.485 -34.485 1.00 63.24 H new ATOM 0 HA LEU A 105 -12.408 -9.510 -36.530 1.00 1.52 H new ATOM 0 HB2 LEU A 105 -13.962 -8.774 -34.646 1.00 3.52 H new ATOM 0 HB3 LEU A 105 -14.370 -10.262 -35.478 1.00 3.52 H new ATOM 0 HG LEU A 105 -13.283 -11.508 -33.530 1.00 51.31 H new ATOM 0 HD11 LEU A 105 -13.192 -10.402 -31.322 1.00 64.21 H new ATOM 0 HD12 LEU A 105 -11.994 -9.761 -32.470 1.00 64.21 H new ATOM 0 HD13 LEU A 105 -13.470 -8.833 -32.115 1.00 64.21 H new ATOM 0 HD21 LEU A 105 -15.330 -11.310 -32.082 1.00 52.40 H new ATOM 0 HD22 LEU A 105 -15.793 -9.845 -32.981 1.00 52.40 H new ATOM 0 HD23 LEU A 105 -15.731 -11.417 -33.813 1.00 52.40 H new ATOM 1692 N VAL A 106 -11.749 -7.515 -34.740 1.00 61.35 N ATOM 1693 CA VAL A 106 -11.033 -6.449 -34.013 1.00 44.32 C ATOM 1694 C VAL A 106 -11.553 -6.426 -32.550 1.00 5.31 C ATOM 1695 O VAL A 106 -12.648 -5.917 -32.301 1.00 40.42 O ATOM 1696 CB VAL A 106 -11.255 -5.046 -34.707 1.00 41.22 C ATOM 1697 CG1 VAL A 106 -10.533 -3.895 -33.954 1.00 23.22 C ATOM 1698 CG2 VAL A 106 -10.844 -5.093 -36.205 1.00 12.13 C ATOM 0 H VAL A 106 -12.641 -7.210 -35.130 1.00 61.35 H new ATOM 0 HA VAL A 106 -9.962 -6.650 -34.025 1.00 44.32 H new ATOM 0 HB VAL A 106 -12.322 -4.829 -34.658 1.00 41.22 H new ATOM 0 HG11 VAL A 106 -10.716 -2.952 -34.469 1.00 23.22 H new ATOM 0 HG12 VAL A 106 -10.915 -3.831 -32.935 1.00 23.22 H new ATOM 0 HG13 VAL A 106 -9.461 -4.093 -33.929 1.00 23.22 H new ATOM 0 HG21 VAL A 106 -11.007 -4.115 -36.658 1.00 12.13 H new ATOM 0 HG22 VAL A 106 -9.790 -5.359 -36.285 1.00 12.13 H new ATOM 0 HG23 VAL A 106 -11.446 -5.838 -36.724 1.00 12.13 H new ATOM 1708 N PRO A 107 -10.803 -7.027 -31.564 1.00 53.41 N ATOM 1709 CA PRO A 107 -11.234 -7.082 -30.142 1.00 11.31 C ATOM 1710 C PRO A 107 -10.898 -5.786 -29.373 1.00 75.03 C ATOM 1711 O PRO A 107 -11.249 -5.651 -28.193 1.00 63.14 O ATOM 1712 CB PRO A 107 -10.434 -8.290 -29.612 1.00 34.34 C ATOM 1713 CG PRO A 107 -9.138 -8.223 -30.362 1.00 71.12 C ATOM 1714 CD PRO A 107 -9.481 -7.696 -31.744 1.00 24.34 C ATOM 0 HA PRO A 107 -12.313 -7.180 -30.021 1.00 11.31 H new ATOM 0 HB2 PRO A 107 -10.276 -8.223 -28.536 1.00 34.34 H new ATOM 0 HB3 PRO A 107 -10.956 -9.228 -29.800 1.00 34.34 H new ATOM 0 HG2 PRO A 107 -8.429 -7.565 -29.858 1.00 71.12 H new ATOM 0 HG3 PRO A 107 -8.672 -9.206 -30.424 1.00 71.12 H new ATOM 0 HD2 PRO A 107 -8.726 -6.996 -32.102 1.00 24.34 H new ATOM 0 HD3 PRO A 107 -9.539 -8.503 -32.475 1.00 24.34 H new ATOM 1722 N ARG A 108 -10.212 -4.841 -30.059 1.00 13.35 N ATOM 1723 CA ARG A 108 -9.864 -3.531 -29.498 1.00 31.52 C ATOM 1724 C ARG A 108 -11.110 -2.618 -29.567 1.00 34.01 C ATOM 1725 O ARG A 108 -11.250 -1.782 -30.465 1.00 12.51 O ATOM 1726 CB ARG A 108 -8.641 -2.915 -30.251 1.00 72.44 C ATOM 1727 CG ARG A 108 -8.060 -1.641 -29.592 1.00 62.03 C ATOM 1728 CD ARG A 108 -6.896 -1.020 -30.385 1.00 21.42 C ATOM 1729 NE ARG A 108 -7.319 -0.513 -31.702 1.00 23.31 N ATOM 1730 CZ ARG A 108 -6.596 0.293 -32.499 1.00 41.40 C ATOM 1731 NH1 ARG A 108 -5.379 0.703 -32.135 1.00 71.04 N ATOM 1732 NH2 ARG A 108 -7.109 0.691 -33.657 1.00 51.11 N ATOM 0 H ARG A 108 -9.888 -4.974 -31.017 1.00 13.35 H new ATOM 0 HA ARG A 108 -9.565 -3.636 -28.455 1.00 31.52 H new ATOM 0 HB2 ARG A 108 -7.854 -3.666 -30.317 1.00 72.44 H new ATOM 0 HB3 ARG A 108 -8.940 -2.677 -31.272 1.00 72.44 H new ATOM 0 HG2 ARG A 108 -8.854 -0.901 -29.486 1.00 62.03 H new ATOM 0 HG3 ARG A 108 -7.716 -1.885 -28.587 1.00 62.03 H new ATOM 0 HD2 ARG A 108 -6.461 -0.204 -29.807 1.00 21.42 H new ATOM 0 HD3 ARG A 108 -6.114 -1.767 -30.521 1.00 21.42 H new ATOM 0 HE ARG A 108 -8.239 -0.798 -32.038 1.00 23.31 H new ATOM 0 HH11 ARG A 108 -4.986 0.405 -31.242 1.00 71.04 H new ATOM 0 HH12 ARG A 108 -4.842 1.314 -32.750 1.00 71.04 H new ATOM 0 HH21 ARG A 108 -8.042 0.385 -33.933 1.00 51.11 H new ATOM 0 HH22 ARG A 108 -6.570 1.303 -34.270 1.00 51.11 H new ATOM 1746 N GLY A 109 -12.040 -2.861 -28.634 1.00 65.15 N ATOM 1747 CA GLY A 109 -13.295 -2.117 -28.520 1.00 3.32 C ATOM 1748 C GLY A 109 -13.650 -1.938 -27.058 1.00 40.43 C ATOM 1749 O GLY A 109 -14.634 -2.505 -26.570 1.00 72.52 O ATOM 0 H GLY A 109 -11.937 -3.591 -27.929 1.00 65.15 H new ATOM 0 HA2 GLY A 109 -13.198 -1.144 -29.003 1.00 3.32 H new ATOM 0 HA3 GLY A 109 -14.094 -2.650 -29.036 1.00 3.32 H new ATOM 1753 N SER A 110 -12.819 -1.140 -26.367 1.00 52.25 N ATOM 1754 CA SER A 110 -12.835 -0.986 -24.902 1.00 3.51 C ATOM 1755 C SER A 110 -14.181 -0.426 -24.387 1.00 51.34 C ATOM 1756 O SER A 110 -14.549 0.711 -24.705 1.00 74.25 O ATOM 1757 CB SER A 110 -11.676 -0.057 -24.496 1.00 54.31 C ATOM 1758 OG SER A 110 -10.458 -0.490 -25.088 1.00 35.45 O ATOM 0 H SER A 110 -12.103 -0.572 -26.820 1.00 52.25 H new ATOM 0 HA SER A 110 -12.713 -1.969 -24.448 1.00 3.51 H new ATOM 0 HB2 SER A 110 -11.895 0.964 -24.807 1.00 54.31 H new ATOM 0 HB3 SER A 110 -11.575 -0.045 -23.411 1.00 54.31 H new ATOM 0 HG SER A 110 -9.732 0.112 -24.821 1.00 35.45 H new ATOM 1764 N GLY A 111 -14.911 -1.251 -23.624 1.00 3.01 N ATOM 1765 CA GLY A 111 -16.187 -0.851 -23.036 1.00 22.10 C ATOM 1766 C GLY A 111 -16.858 -2.008 -22.314 1.00 51.55 C ATOM 1767 O GLY A 111 -17.256 -1.881 -21.148 1.00 13.44 O ATOM 0 H GLY A 111 -14.632 -2.207 -23.401 1.00 3.01 H new ATOM 0 HA2 GLY A 111 -16.025 -0.030 -22.337 1.00 22.10 H new ATOM 0 HA3 GLY A 111 -16.848 -0.478 -23.818 1.00 22.10 H new ATOM 1771 N GLY A 112 -16.973 -3.143 -23.023 1.00 12.33 N ATOM 1772 CA GLY A 112 -17.572 -4.360 -22.479 1.00 51.15 C ATOM 1773 C GLY A 112 -17.712 -5.441 -23.546 1.00 44.55 C ATOM 1774 O GLY A 112 -18.366 -5.216 -24.566 1.00 33.20 O ATOM 0 H GLY A 112 -16.652 -3.237 -23.987 1.00 12.33 H new ATOM 0 HA2 GLY A 112 -16.958 -4.734 -21.660 1.00 51.15 H new ATOM 0 HA3 GLY A 112 -18.553 -4.129 -22.063 1.00 51.15 H new ATOM 1778 N ILE A 113 -17.090 -6.610 -23.318 1.00 22.50 N ATOM 1779 CA ILE A 113 -17.141 -7.746 -24.254 1.00 71.15 C ATOM 1780 C ILE A 113 -18.485 -8.492 -24.054 1.00 20.13 C ATOM 1781 O ILE A 113 -19.037 -8.483 -22.952 1.00 64.44 O ATOM 1782 CB ILE A 113 -15.912 -8.744 -24.059 1.00 54.41 C ATOM 1783 CG1 ILE A 113 -14.516 -8.006 -24.065 1.00 30.45 C ATOM 1784 CG2 ILE A 113 -15.926 -9.852 -25.141 1.00 4.43 C ATOM 1785 CD1 ILE A 113 -14.092 -7.379 -22.738 1.00 53.51 C ATOM 0 H ILE A 113 -16.538 -6.794 -22.480 1.00 22.50 H new ATOM 0 HA ILE A 113 -17.070 -7.361 -25.271 1.00 71.15 H new ATOM 0 HB ILE A 113 -16.037 -9.195 -23.074 1.00 54.41 H new ATOM 0 HG12 ILE A 113 -13.750 -8.719 -24.370 1.00 30.45 H new ATOM 0 HG13 ILE A 113 -14.543 -7.223 -24.823 1.00 30.45 H new ATOM 0 HG21 ILE A 113 -15.079 -10.521 -24.988 1.00 4.43 H new ATOM 0 HG22 ILE A 113 -16.854 -10.419 -25.069 1.00 4.43 H new ATOM 0 HG23 ILE A 113 -15.855 -9.397 -26.129 1.00 4.43 H new ATOM 0 HD11 ILE A 113 -13.120 -6.900 -22.856 1.00 53.51 H new ATOM 0 HD12 ILE A 113 -14.829 -6.635 -22.435 1.00 53.51 H new ATOM 0 HD13 ILE A 113 -14.024 -8.154 -21.975 1.00 53.51 H new ATOM 1797 N GLU A 114 -19.036 -9.089 -25.122 1.00 30.02 N ATOM 1798 CA GLU A 114 -20.258 -9.919 -25.026 1.00 42.43 C ATOM 1799 C GLU A 114 -19.920 -11.293 -24.413 1.00 34.23 C ATOM 1800 O GLU A 114 -18.923 -11.922 -24.787 1.00 74.14 O ATOM 1801 CB GLU A 114 -20.978 -10.080 -26.408 1.00 45.00 C ATOM 1802 CG GLU A 114 -20.162 -10.752 -27.543 1.00 20.05 C ATOM 1803 CD GLU A 114 -19.068 -9.846 -28.134 1.00 25.34 C ATOM 1804 OE1 GLU A 114 -19.418 -8.871 -28.827 1.00 74.51 O ATOM 1805 OE2 GLU A 114 -17.865 -10.095 -27.904 1.00 4.23 O ATOM 0 H GLU A 114 -18.657 -9.015 -26.066 1.00 30.02 H new ATOM 0 HA GLU A 114 -20.957 -9.401 -24.369 1.00 42.43 H new ATOM 0 HB2 GLU A 114 -21.887 -10.661 -26.253 1.00 45.00 H new ATOM 0 HB3 GLU A 114 -21.285 -9.091 -26.749 1.00 45.00 H new ATOM 0 HG2 GLU A 114 -19.700 -11.661 -27.158 1.00 20.05 H new ATOM 0 HG3 GLU A 114 -20.843 -11.053 -28.340 1.00 20.05 H new ATOM 1812 N GLY A 115 -20.735 -11.727 -23.438 1.00 21.13 N ATOM 1813 CA GLY A 115 -20.558 -13.023 -22.778 1.00 44.35 C ATOM 1814 C GLY A 115 -19.862 -12.913 -21.422 1.00 64.22 C ATOM 1815 O GLY A 115 -19.458 -11.816 -21.001 1.00 12.10 O ATOM 0 H GLY A 115 -21.529 -11.190 -23.089 1.00 21.13 H new ATOM 0 HA2 GLY A 115 -21.533 -13.492 -22.643 1.00 44.35 H new ATOM 0 HA3 GLY A 115 -19.976 -13.678 -23.426 1.00 44.35 H new ATOM 1819 N SER A 428 -19.703 -14.074 -20.756 1.00 23.52 N ATOM 1820 CA SER A 428 -19.128 -14.185 -19.396 1.00 45.40 C ATOM 1821 C SER A 428 -17.606 -13.940 -19.390 1.00 14.42 C ATOM 1822 O SER A 428 -17.008 -13.753 -18.316 1.00 1.13 O ATOM 1823 CB SER A 428 -19.456 -15.575 -18.803 1.00 4.11 C ATOM 1824 OG SER A 428 -19.021 -15.694 -17.456 1.00 54.42 O ATOM 0 H SER A 428 -19.973 -14.975 -21.151 1.00 23.52 H new ATOM 0 HA SER A 428 -19.579 -13.410 -18.777 1.00 45.40 H new ATOM 0 HB2 SER A 428 -20.531 -15.746 -18.853 1.00 4.11 H new ATOM 0 HB3 SER A 428 -18.981 -16.348 -19.407 1.00 4.11 H new ATOM 0 HG SER A 428 -19.467 -15.015 -16.907 1.00 54.42 H new ATOM 1830 N ILE A 429 -16.993 -13.970 -20.590 1.00 53.12 N ATOM 1831 CA ILE A 429 -15.578 -13.603 -20.792 1.00 63.13 C ATOM 1832 C ILE A 429 -15.300 -12.198 -20.224 1.00 10.03 C ATOM 1833 O ILE A 429 -14.289 -11.994 -19.554 1.00 22.03 O ATOM 1834 CB ILE A 429 -15.172 -13.726 -22.323 1.00 70.51 C ATOM 1835 CG1 ILE A 429 -13.677 -13.300 -22.631 1.00 64.34 C ATOM 1836 CG2 ILE A 429 -16.165 -12.978 -23.236 1.00 62.14 C ATOM 1837 CD1 ILE A 429 -13.409 -11.814 -22.920 1.00 2.20 C ATOM 0 H ILE A 429 -17.467 -14.250 -21.449 1.00 53.12 H new ATOM 0 HA ILE A 429 -14.951 -14.305 -20.243 1.00 63.13 H new ATOM 0 HB ILE A 429 -15.228 -14.791 -22.550 1.00 70.51 H new ATOM 0 HG12 ILE A 429 -13.061 -13.594 -21.781 1.00 64.34 H new ATOM 0 HG13 ILE A 429 -13.332 -13.877 -23.489 1.00 64.34 H new ATOM 0 HG21 ILE A 429 -15.855 -13.085 -24.275 1.00 62.14 H new ATOM 0 HG22 ILE A 429 -17.163 -13.399 -23.110 1.00 62.14 H new ATOM 0 HG23 ILE A 429 -16.180 -11.921 -22.968 1.00 62.14 H new ATOM 0 HD11 ILE A 429 -12.346 -11.667 -23.113 1.00 2.20 H new ATOM 0 HD12 ILE A 429 -13.983 -11.504 -23.793 1.00 2.20 H new ATOM 0 HD13 ILE A 429 -13.707 -11.216 -22.059 1.00 2.20 H new ATOM 1849 N ASP A 430 -16.235 -11.258 -20.461 1.00 44.13 N ATOM 1850 CA ASP A 430 -16.140 -9.878 -19.953 1.00 1.13 C ATOM 1851 C ASP A 430 -16.075 -9.851 -18.423 1.00 52.31 C ATOM 1852 O ASP A 430 -15.278 -9.113 -17.854 1.00 23.31 O ATOM 1853 CB ASP A 430 -17.349 -9.045 -20.428 1.00 72.55 C ATOM 1854 CG ASP A 430 -17.344 -7.600 -19.885 1.00 3.35 C ATOM 1855 OD1 ASP A 430 -16.522 -6.786 -20.357 1.00 62.54 O ATOM 1856 OD2 ASP A 430 -18.150 -7.274 -18.982 1.00 43.05 O ATOM 0 H ASP A 430 -17.076 -11.435 -21.010 1.00 44.13 H new ATOM 0 HA ASP A 430 -15.221 -9.445 -20.348 1.00 1.13 H new ATOM 0 HB2 ASP A 430 -17.357 -9.017 -21.518 1.00 72.55 H new ATOM 0 HB3 ASP A 430 -18.268 -9.540 -20.116 1.00 72.55 H new ATOM 1861 N GLU A 431 -16.922 -10.682 -17.790 1.00 51.10 N ATOM 1862 CA GLU A 431 -17.059 -10.740 -16.329 1.00 25.23 C ATOM 1863 C GLU A 431 -15.741 -11.177 -15.677 1.00 43.11 C ATOM 1864 O GLU A 431 -15.188 -10.443 -14.858 1.00 60.32 O ATOM 1865 CB GLU A 431 -18.202 -11.706 -15.928 1.00 13.24 C ATOM 1866 CG GLU A 431 -19.565 -11.375 -16.561 1.00 74.35 C ATOM 1867 CD GLU A 431 -20.698 -12.270 -16.037 1.00 72.23 C ATOM 1868 OE1 GLU A 431 -20.761 -13.455 -16.423 1.00 22.54 O ATOM 1869 OE2 GLU A 431 -21.529 -11.800 -15.230 1.00 55.32 O ATOM 0 H GLU A 431 -17.532 -11.334 -18.283 1.00 51.10 H new ATOM 0 HA GLU A 431 -17.306 -9.740 -15.971 1.00 25.23 H new ATOM 0 HB2 GLU A 431 -17.920 -12.720 -16.211 1.00 13.24 H new ATOM 0 HB3 GLU A 431 -18.307 -11.695 -14.843 1.00 13.24 H new ATOM 0 HG2 GLU A 431 -19.810 -10.332 -16.360 1.00 74.35 H new ATOM 0 HG3 GLU A 431 -19.494 -11.483 -17.643 1.00 74.35 H new ATOM 1876 N THR A 432 -15.231 -12.358 -16.094 1.00 43.03 N ATOM 1877 CA THR A 432 -14.011 -12.951 -15.518 1.00 25.12 C ATOM 1878 C THR A 432 -12.785 -12.038 -15.744 1.00 34.32 C ATOM 1879 O THR A 432 -12.019 -11.787 -14.801 1.00 70.33 O ATOM 1880 CB THR A 432 -13.736 -14.406 -16.050 1.00 1.40 C ATOM 1881 OG1 THR A 432 -12.554 -14.937 -15.434 1.00 40.11 O ATOM 1882 CG2 THR A 432 -13.570 -14.473 -17.577 1.00 5.43 C ATOM 0 H THR A 432 -15.652 -12.920 -16.834 1.00 43.03 H new ATOM 0 HA THR A 432 -14.183 -13.035 -14.445 1.00 25.12 H new ATOM 0 HB THR A 432 -14.613 -14.998 -15.788 1.00 1.40 H new ATOM 0 HG1 THR A 432 -12.390 -15.843 -15.769 1.00 40.11 H new ATOM 0 HG21 THR A 432 -13.383 -15.504 -17.878 1.00 5.43 H new ATOM 0 HG22 THR A 432 -14.480 -14.114 -18.058 1.00 5.43 H new ATOM 0 HG23 THR A 432 -12.729 -13.849 -17.879 1.00 5.43 H new ATOM 1890 N VAL A 433 -12.649 -11.489 -16.976 1.00 31.52 N ATOM 1891 CA VAL A 433 -11.580 -10.533 -17.311 1.00 74.41 C ATOM 1892 C VAL A 433 -11.676 -9.299 -16.396 1.00 34.43 C ATOM 1893 O VAL A 433 -10.674 -8.876 -15.842 1.00 54.31 O ATOM 1894 CB VAL A 433 -11.622 -10.106 -18.836 1.00 63.03 C ATOM 1895 CG1 VAL A 433 -10.717 -8.883 -19.134 1.00 53.40 C ATOM 1896 CG2 VAL A 433 -11.243 -11.298 -19.754 1.00 32.42 C ATOM 0 H VAL A 433 -13.274 -11.698 -17.755 1.00 31.52 H new ATOM 0 HA VAL A 433 -10.623 -11.029 -17.146 1.00 74.41 H new ATOM 0 HB VAL A 433 -12.648 -9.807 -19.051 1.00 63.03 H new ATOM 0 HG11 VAL A 433 -10.782 -8.632 -20.193 1.00 53.40 H new ATOM 0 HG12 VAL A 433 -11.047 -8.032 -18.538 1.00 53.40 H new ATOM 0 HG13 VAL A 433 -9.685 -9.124 -18.881 1.00 53.40 H new ATOM 0 HG21 VAL A 433 -11.279 -10.980 -20.796 1.00 32.42 H new ATOM 0 HG22 VAL A 433 -10.236 -11.637 -19.513 1.00 32.42 H new ATOM 0 HG23 VAL A 433 -11.948 -12.115 -19.599 1.00 32.42 H new ATOM 1906 N ALA A 434 -12.910 -8.802 -16.188 1.00 45.05 N ATOM 1907 CA ALA A 434 -13.174 -7.617 -15.350 1.00 63.50 C ATOM 1908 C ALA A 434 -12.803 -7.863 -13.873 1.00 51.11 C ATOM 1909 O ALA A 434 -12.411 -6.927 -13.180 1.00 35.23 O ATOM 1910 CB ALA A 434 -14.648 -7.192 -15.470 1.00 15.41 C ATOM 0 H ALA A 434 -13.751 -9.210 -16.596 1.00 45.05 H new ATOM 0 HA ALA A 434 -12.540 -6.809 -15.716 1.00 63.50 H new ATOM 0 HB1 ALA A 434 -14.826 -6.316 -14.846 1.00 15.41 H new ATOM 0 HB2 ALA A 434 -14.873 -6.949 -16.508 1.00 15.41 H new ATOM 0 HB3 ALA A 434 -15.290 -8.009 -15.141 1.00 15.41 H new ATOM 1916 N ARG A 435 -12.922 -9.128 -13.403 1.00 52.22 N ATOM 1917 CA ARG A 435 -12.590 -9.495 -12.005 1.00 71.33 C ATOM 1918 C ARG A 435 -11.075 -9.414 -11.786 1.00 40.21 C ATOM 1919 O ARG A 435 -10.612 -8.741 -10.867 1.00 5.40 O ATOM 1920 CB ARG A 435 -13.107 -10.923 -11.635 1.00 65.23 C ATOM 1921 CG ARG A 435 -14.608 -11.158 -11.902 1.00 25.32 C ATOM 1922 CD ARG A 435 -15.525 -10.091 -11.266 1.00 2.52 C ATOM 1923 NE ARG A 435 -16.874 -10.086 -11.863 1.00 61.51 N ATOM 1924 CZ ARG A 435 -17.653 -8.995 -12.014 1.00 75.03 C ATOM 1925 NH1 ARG A 435 -17.249 -7.788 -11.612 1.00 31.35 N ATOM 1926 NH2 ARG A 435 -18.832 -9.120 -12.586 1.00 63.33 N ATOM 0 H ARG A 435 -13.245 -9.911 -13.971 1.00 52.22 H new ATOM 0 HA ARG A 435 -13.094 -8.783 -11.351 1.00 71.33 H new ATOM 0 HB2 ARG A 435 -12.533 -11.659 -12.198 1.00 65.23 H new ATOM 0 HB3 ARG A 435 -12.908 -11.104 -10.579 1.00 65.23 H new ATOM 0 HG2 ARG A 435 -14.778 -11.176 -12.978 1.00 25.32 H new ATOM 0 HG3 ARG A 435 -14.887 -12.140 -11.519 1.00 25.32 H new ATOM 0 HD2 ARG A 435 -15.605 -10.275 -10.195 1.00 2.52 H new ATOM 0 HD3 ARG A 435 -15.072 -9.107 -11.387 1.00 2.52 H new ATOM 0 HE ARG A 435 -17.247 -10.978 -12.187 1.00 61.51 H new ATOM 0 HH11 ARG A 435 -16.332 -7.675 -11.179 1.00 31.35 H new ATOM 0 HH12 ARG A 435 -17.857 -6.979 -11.738 1.00 31.35 H new ATOM 0 HH21 ARG A 435 -19.148 -10.034 -12.909 1.00 63.33 H new ATOM 0 HH22 ARG A 435 -19.430 -8.302 -12.706 1.00 63.33 H new ATOM 1940 N TYR A 436 -10.312 -10.083 -12.669 1.00 63.41 N ATOM 1941 CA TYR A 436 -8.836 -10.141 -12.568 1.00 70.13 C ATOM 1942 C TYR A 436 -8.187 -8.804 -12.973 1.00 12.32 C ATOM 1943 O TYR A 436 -7.083 -8.499 -12.527 1.00 12.43 O ATOM 1944 CB TYR A 436 -8.277 -11.310 -13.419 1.00 2.21 C ATOM 1945 CG TYR A 436 -8.746 -12.681 -12.914 1.00 72.43 C ATOM 1946 CD1 TYR A 436 -8.186 -13.255 -11.768 1.00 21.13 C ATOM 1947 CD2 TYR A 436 -9.759 -13.387 -13.561 1.00 61.43 C ATOM 1948 CE1 TYR A 436 -8.627 -14.476 -11.294 1.00 40.13 C ATOM 1949 CE2 TYR A 436 -10.198 -14.608 -13.093 1.00 60.35 C ATOM 1950 CZ TYR A 436 -9.631 -15.149 -11.962 1.00 1.34 C ATOM 1951 OH TYR A 436 -10.077 -16.365 -11.482 1.00 52.03 O ATOM 0 H TYR A 436 -10.692 -10.594 -13.465 1.00 63.41 H new ATOM 0 HA TYR A 436 -8.581 -10.323 -11.524 1.00 70.13 H new ATOM 0 HB2 TYR A 436 -8.589 -11.182 -14.456 1.00 2.21 H new ATOM 0 HB3 TYR A 436 -7.188 -11.275 -13.407 1.00 2.21 H new ATOM 0 HD1 TYR A 436 -7.396 -12.736 -11.245 1.00 21.13 H new ATOM 0 HD2 TYR A 436 -10.210 -12.969 -14.449 1.00 61.43 H new ATOM 0 HE1 TYR A 436 -8.188 -14.902 -10.404 1.00 40.13 H new ATOM 0 HE2 TYR A 436 -10.983 -15.137 -13.612 1.00 60.35 H new ATOM 0 HH TYR A 436 -10.786 -16.707 -12.065 1.00 52.03 H new ATOM 1961 N LYS A 437 -8.895 -8.025 -13.813 1.00 60.53 N ATOM 1962 CA LYS A 437 -8.466 -6.676 -14.245 1.00 50.22 C ATOM 1963 C LYS A 437 -8.671 -5.669 -13.111 1.00 42.51 C ATOM 1964 O LYS A 437 -7.834 -4.785 -12.903 1.00 51.05 O ATOM 1965 CB LYS A 437 -9.244 -6.232 -15.519 1.00 53.35 C ATOM 1966 CG LYS A 437 -8.964 -4.794 -15.997 1.00 41.05 C ATOM 1967 CD LYS A 437 -9.690 -4.440 -17.316 1.00 53.04 C ATOM 1968 CE LYS A 437 -9.511 -2.960 -17.692 1.00 51.05 C ATOM 1969 NZ LYS A 437 -8.076 -2.573 -17.792 1.00 41.04 N ATOM 0 H LYS A 437 -9.787 -8.314 -14.215 1.00 60.53 H new ATOM 0 HA LYS A 437 -7.405 -6.712 -14.492 1.00 50.22 H new ATOM 0 HB2 LYS A 437 -9.003 -6.920 -16.330 1.00 53.35 H new ATOM 0 HB3 LYS A 437 -10.312 -6.331 -15.325 1.00 53.35 H new ATOM 0 HG2 LYS A 437 -9.272 -4.093 -15.221 1.00 41.05 H new ATOM 0 HG3 LYS A 437 -7.890 -4.666 -16.135 1.00 41.05 H new ATOM 0 HD2 LYS A 437 -9.307 -5.067 -18.121 1.00 53.04 H new ATOM 0 HD3 LYS A 437 -10.752 -4.663 -17.216 1.00 53.04 H new ATOM 0 HE2 LYS A 437 -10.005 -2.767 -18.644 1.00 51.05 H new ATOM 0 HE3 LYS A 437 -10.003 -2.336 -16.946 1.00 51.05 H new ATOM 0 HZ1 LYS A 437 -8.003 -1.604 -18.161 1.00 41.04 H new ATOM 0 HZ2 LYS A 437 -7.638 -2.618 -16.850 1.00 41.04 H new ATOM 0 HZ3 LYS A 437 -7.584 -3.226 -18.435 1.00 41.04 H new ATOM 1983 N ALA A 438 -9.795 -5.816 -12.382 1.00 44.43 N ATOM 1984 CA ALA A 438 -10.081 -4.994 -11.199 1.00 52.43 C ATOM 1985 C ALA A 438 -9.040 -5.279 -10.108 1.00 3.12 C ATOM 1986 O ALA A 438 -8.372 -4.365 -9.648 1.00 4.20 O ATOM 1987 CB ALA A 438 -11.506 -5.232 -10.682 1.00 70.34 C ATOM 0 H ALA A 438 -10.520 -6.501 -12.597 1.00 44.43 H new ATOM 0 HA ALA A 438 -10.016 -3.943 -11.482 1.00 52.43 H new ATOM 0 HB1 ALA A 438 -11.684 -4.608 -9.806 1.00 70.34 H new ATOM 0 HB2 ALA A 438 -12.223 -4.976 -11.462 1.00 70.34 H new ATOM 0 HB3 ALA A 438 -11.624 -6.281 -10.410 1.00 70.34 H new ATOM 1993 N GLN A 439 -8.873 -6.574 -9.765 1.00 53.43 N ATOM 1994 CA GLN A 439 -7.884 -7.040 -8.765 1.00 70.15 C ATOM 1995 C GLN A 439 -6.467 -6.551 -9.094 1.00 61.44 C ATOM 1996 O GLN A 439 -5.727 -6.106 -8.201 1.00 11.42 O ATOM 1997 CB GLN A 439 -7.907 -8.591 -8.672 1.00 43.40 C ATOM 1998 CG GLN A 439 -9.171 -9.163 -8.015 1.00 12.01 C ATOM 1999 CD GLN A 439 -9.356 -8.655 -6.590 1.00 62.31 C ATOM 2000 OE1 GLN A 439 -8.864 -9.250 -5.646 1.00 13.23 O ATOM 2001 NE2 GLN A 439 -10.072 -7.554 -6.425 1.00 74.45 N ATOM 0 H GLN A 439 -9.422 -7.330 -10.175 1.00 53.43 H new ATOM 0 HA GLN A 439 -8.164 -6.616 -7.801 1.00 70.15 H new ATOM 0 HB2 GLN A 439 -7.813 -9.005 -9.676 1.00 43.40 H new ATOM 0 HB3 GLN A 439 -7.036 -8.923 -8.108 1.00 43.40 H new ATOM 0 HG2 GLN A 439 -10.043 -8.894 -8.611 1.00 12.01 H new ATOM 0 HG3 GLN A 439 -9.114 -10.251 -8.007 1.00 12.01 H new ATOM 0 HE21 GLN A 439 -10.471 -7.079 -7.235 1.00 74.45 H new ATOM 0 HE22 GLN A 439 -10.225 -7.181 -5.488 1.00 74.45 H new ATOM 2010 N PHE A 440 -6.127 -6.616 -10.393 1.00 44.22 N ATOM 2011 CA PHE A 440 -4.847 -6.133 -10.908 1.00 41.43 C ATOM 2012 C PHE A 440 -4.698 -4.629 -10.618 1.00 42.41 C ATOM 2013 O PHE A 440 -3.866 -4.247 -9.816 1.00 23.14 O ATOM 2014 CB PHE A 440 -4.730 -6.417 -12.428 1.00 74.01 C ATOM 2015 CG PHE A 440 -3.407 -5.975 -13.050 1.00 10.02 C ATOM 2016 CD1 PHE A 440 -2.232 -6.670 -12.775 1.00 21.14 C ATOM 2017 CD2 PHE A 440 -3.336 -4.874 -13.908 1.00 2.11 C ATOM 2018 CE1 PHE A 440 -1.033 -6.271 -13.323 1.00 44.21 C ATOM 2019 CE2 PHE A 440 -2.131 -4.479 -14.457 1.00 1.23 C ATOM 2020 CZ PHE A 440 -0.981 -5.182 -14.170 1.00 4.13 C ATOM 0 H PHE A 440 -6.737 -7.006 -11.111 1.00 44.22 H new ATOM 0 HA PHE A 440 -4.040 -6.665 -10.404 1.00 41.43 H new ATOM 0 HB2 PHE A 440 -4.858 -7.486 -12.597 1.00 74.01 H new ATOM 0 HB3 PHE A 440 -5.547 -5.913 -12.944 1.00 74.01 H new ATOM 0 HD1 PHE A 440 -2.261 -7.532 -12.125 1.00 21.14 H new ATOM 0 HD2 PHE A 440 -4.235 -4.325 -14.145 1.00 2.11 H new ATOM 0 HE1 PHE A 440 -0.129 -6.813 -13.089 1.00 44.21 H new ATOM 0 HE2 PHE A 440 -2.090 -3.620 -15.110 1.00 1.23 H new ATOM 0 HZ PHE A 440 -0.040 -4.881 -14.607 1.00 4.13 H new ATOM 2030 N THR A 441 -5.597 -3.814 -11.201 1.00 14.30 N ATOM 2031 CA THR A 441 -5.521 -2.336 -11.159 1.00 63.12 C ATOM 2032 C THR A 441 -5.611 -1.768 -9.718 1.00 2.14 C ATOM 2033 O THR A 441 -4.964 -0.768 -9.402 1.00 33.12 O ATOM 2034 CB THR A 441 -6.642 -1.717 -12.062 1.00 72.32 C ATOM 2035 OG1 THR A 441 -6.490 -2.213 -13.402 1.00 24.33 O ATOM 2036 CG2 THR A 441 -6.615 -0.173 -12.091 1.00 21.15 C ATOM 0 H THR A 441 -6.404 -4.162 -11.719 1.00 14.30 H new ATOM 0 HA THR A 441 -4.541 -2.054 -11.544 1.00 63.12 H new ATOM 0 HB THR A 441 -7.600 -2.013 -11.634 1.00 72.32 H new ATOM 0 HG1 THR A 441 -6.901 -3.100 -13.471 1.00 24.33 H new ATOM 0 HG21 THR A 441 -7.416 0.193 -12.734 1.00 21.15 H new ATOM 0 HG22 THR A 441 -6.755 0.212 -11.081 1.00 21.15 H new ATOM 0 HG23 THR A 441 -5.655 0.167 -12.479 1.00 21.15 H new ATOM 2044 N GLN A 442 -6.389 -2.443 -8.857 1.00 35.42 N ATOM 2045 CA GLN A 442 -6.600 -2.043 -7.448 1.00 1.02 C ATOM 2046 C GLN A 442 -5.323 -2.250 -6.614 1.00 44.24 C ATOM 2047 O GLN A 442 -4.852 -1.328 -5.935 1.00 55.40 O ATOM 2048 CB GLN A 442 -7.790 -2.835 -6.840 1.00 12.32 C ATOM 2049 CG GLN A 442 -9.174 -2.429 -7.396 1.00 40.41 C ATOM 2050 CD GLN A 442 -10.328 -3.348 -6.968 1.00 41.44 C ATOM 2051 OE1 GLN A 442 -10.075 -4.651 -6.858 1.00 20.34 O flip ATOM 2052 NE2 GLN A 442 -11.458 -2.895 -6.785 1.00 64.32 N flip ATOM 0 H GLN A 442 -6.895 -3.289 -9.117 1.00 35.42 H new ATOM 0 HA GLN A 442 -6.840 -0.980 -7.426 1.00 1.02 H new ATOM 0 HB2 GLN A 442 -7.635 -3.898 -7.024 1.00 12.32 H new ATOM 0 HB3 GLN A 442 -7.790 -2.695 -5.759 1.00 12.32 H new ATOM 0 HG2 GLN A 442 -9.397 -1.412 -7.073 1.00 40.41 H new ATOM 0 HG3 GLN A 442 -9.124 -2.413 -8.485 1.00 40.41 H new ATOM 0 HE21 GLN A 442 -11.627 -1.893 -6.875 1.00 64.32 H new ATOM 0 HE22 GLN A 442 -12.226 -3.522 -6.543 1.00 64.32 H new ATOM 2061 N LEU A 443 -4.751 -3.458 -6.685 1.00 40.12 N ATOM 2062 CA LEU A 443 -3.499 -3.779 -5.972 1.00 14.24 C ATOM 2063 C LEU A 443 -2.283 -3.114 -6.679 1.00 1.02 C ATOM 2064 O LEU A 443 -1.219 -2.964 -6.074 1.00 70.11 O ATOM 2065 CB LEU A 443 -3.306 -5.322 -5.835 1.00 43.21 C ATOM 2066 CG LEU A 443 -4.165 -6.076 -4.751 1.00 50.13 C ATOM 2067 CD1 LEU A 443 -5.691 -5.884 -4.933 1.00 31.10 C ATOM 2068 CD2 LEU A 443 -3.793 -7.579 -4.726 1.00 21.11 C ATOM 0 H LEU A 443 -5.132 -4.233 -7.228 1.00 40.12 H new ATOM 0 HA LEU A 443 -3.567 -3.371 -4.963 1.00 14.24 H new ATOM 0 HB2 LEU A 443 -3.518 -5.773 -6.804 1.00 43.21 H new ATOM 0 HB3 LEU A 443 -2.254 -5.510 -5.619 1.00 43.21 H new ATOM 0 HG LEU A 443 -3.921 -5.627 -3.788 1.00 50.13 H new ATOM 0 HD11 LEU A 443 -6.222 -6.430 -4.153 1.00 31.10 H new ATOM 0 HD12 LEU A 443 -5.935 -4.824 -4.864 1.00 31.10 H new ATOM 0 HD13 LEU A 443 -5.991 -6.263 -5.910 1.00 31.10 H new ATOM 0 HD21 LEU A 443 -4.393 -8.090 -3.973 1.00 21.11 H new ATOM 0 HD22 LEU A 443 -3.988 -8.018 -5.704 1.00 21.11 H new ATOM 0 HD23 LEU A 443 -2.736 -7.688 -4.483 1.00 21.11 H new ATOM 2080 N ASP A 444 -2.467 -2.725 -7.964 1.00 21.10 N ATOM 2081 CA ASP A 444 -1.430 -2.056 -8.791 1.00 52.13 C ATOM 2082 C ASP A 444 -1.279 -0.588 -8.389 1.00 33.52 C ATOM 2083 O ASP A 444 -0.157 -0.099 -8.245 1.00 15.25 O ATOM 2084 CB ASP A 444 -1.783 -2.148 -10.300 1.00 53.54 C ATOM 2085 CG ASP A 444 -0.767 -1.455 -11.224 1.00 1.04 C ATOM 2086 OD1 ASP A 444 -0.960 -0.273 -11.575 1.00 14.41 O ATOM 2087 OD2 ASP A 444 0.240 -2.083 -11.596 1.00 53.01 O ATOM 0 H ASP A 444 -3.346 -2.867 -8.461 1.00 21.10 H new ATOM 0 HA ASP A 444 -0.485 -2.571 -8.617 1.00 52.13 H new ATOM 0 HB2 ASP A 444 -1.857 -3.198 -10.582 1.00 53.54 H new ATOM 0 HB3 ASP A 444 -2.766 -1.705 -10.460 1.00 53.54 H new ATOM 2092 N THR A 445 -2.421 0.119 -8.245 1.00 3.34 N ATOM 2093 CA THR A 445 -2.424 1.517 -7.785 1.00 42.50 C ATOM 2094 C THR A 445 -1.977 1.579 -6.322 1.00 52.30 C ATOM 2095 O THR A 445 -1.308 2.543 -5.918 1.00 4.13 O ATOM 2096 CB THR A 445 -3.802 2.245 -7.979 1.00 12.43 C ATOM 2097 OG1 THR A 445 -3.707 3.609 -7.534 1.00 32.13 O ATOM 2098 CG2 THR A 445 -4.964 1.564 -7.242 1.00 65.50 C ATOM 0 H THR A 445 -3.348 -0.258 -8.441 1.00 3.34 H new ATOM 0 HA THR A 445 -1.717 2.057 -8.415 1.00 42.50 H new ATOM 0 HB THR A 445 -4.020 2.197 -9.046 1.00 12.43 H new ATOM 0 HG1 THR A 445 -4.570 4.055 -7.660 1.00 32.13 H new ATOM 0 HG21 THR A 445 -5.884 2.121 -7.420 1.00 65.50 H new ATOM 0 HG22 THR A 445 -5.080 0.544 -7.609 1.00 65.50 H new ATOM 0 HG23 THR A 445 -4.754 1.543 -6.173 1.00 65.50 H new ATOM 2106 N MET A 446 -2.329 0.525 -5.547 1.00 43.53 N ATOM 2107 CA MET A 446 -1.826 0.350 -4.185 1.00 72.12 C ATOM 2108 C MET A 446 -0.299 0.234 -4.215 1.00 2.00 C ATOM 2109 O MET A 446 0.373 0.887 -3.437 1.00 42.12 O ATOM 2110 CB MET A 446 -2.424 -0.907 -3.491 1.00 2.22 C ATOM 2111 CG MET A 446 -2.059 -1.004 -2.002 1.00 72.01 C ATOM 2112 SD MET A 446 -2.701 -2.472 -1.176 1.00 3.04 S ATOM 2113 CE MET A 446 -2.095 -2.192 0.493 1.00 53.31 C ATOM 0 H MET A 446 -2.962 -0.213 -5.854 1.00 43.53 H new ATOM 0 HA MET A 446 -2.133 1.223 -3.609 1.00 72.12 H new ATOM 0 HB2 MET A 446 -3.509 -0.889 -3.593 1.00 2.22 H new ATOM 0 HB3 MET A 446 -2.070 -1.801 -4.005 1.00 2.22 H new ATOM 0 HG2 MET A 446 -0.973 -0.992 -1.904 1.00 72.01 H new ATOM 0 HG3 MET A 446 -2.435 -0.119 -1.489 1.00 72.01 H new ATOM 0 HE1 MET A 446 -1.441 -3.014 0.785 1.00 53.31 H new ATOM 0 HE2 MET A 446 -1.538 -1.256 0.525 1.00 53.31 H new ATOM 0 HE3 MET A 446 -2.938 -2.136 1.182 1.00 53.31 H new ATOM 2123 N MET A 447 0.216 -0.582 -5.168 1.00 32.11 N ATOM 2124 CA MET A 447 1.659 -0.874 -5.302 1.00 62.43 C ATOM 2125 C MET A 447 2.471 0.366 -5.678 1.00 72.31 C ATOM 2126 O MET A 447 3.507 0.629 -5.070 1.00 41.30 O ATOM 2127 CB MET A 447 1.927 -2.008 -6.332 1.00 2.14 C ATOM 2128 CG MET A 447 3.431 -2.279 -6.631 1.00 35.11 C ATOM 2129 SD MET A 447 3.826 -4.034 -6.708 1.00 54.24 S ATOM 2130 CE MET A 447 3.440 -4.498 -5.026 1.00 42.12 C ATOM 0 H MET A 447 -0.361 -1.055 -5.864 1.00 32.11 H new ATOM 0 HA MET A 447 1.987 -1.210 -4.318 1.00 62.43 H new ATOM 0 HB2 MET A 447 1.473 -2.928 -5.964 1.00 2.14 H new ATOM 0 HB3 MET A 447 1.425 -1.757 -7.266 1.00 2.14 H new ATOM 0 HG2 MET A 447 3.698 -1.810 -7.578 1.00 35.11 H new ATOM 0 HG3 MET A 447 4.040 -1.808 -5.859 1.00 35.11 H new ATOM 0 HE1 MET A 447 4.011 -5.385 -4.753 1.00 42.12 H new ATOM 0 HE2 MET A 447 3.698 -3.679 -4.354 1.00 42.12 H new ATOM 0 HE3 MET A 447 2.375 -4.713 -4.943 1.00 42.12 H new ATOM 2140 N SER A 448 1.996 1.111 -6.684 1.00 51.21 N ATOM 2141 CA SER A 448 2.685 2.306 -7.194 1.00 24.13 C ATOM 2142 C SER A 448 2.772 3.395 -6.108 1.00 31.31 C ATOM 2143 O SER A 448 3.832 4.030 -5.920 1.00 21.32 O ATOM 2144 CB SER A 448 1.956 2.816 -8.453 1.00 14.22 C ATOM 2145 OG SER A 448 0.564 2.969 -8.220 1.00 44.33 O ATOM 0 H SER A 448 1.123 0.903 -7.168 1.00 51.21 H new ATOM 0 HA SER A 448 3.708 2.046 -7.466 1.00 24.13 H new ATOM 0 HB2 SER A 448 2.382 3.771 -8.760 1.00 14.22 H new ATOM 0 HB3 SER A 448 2.114 2.118 -9.275 1.00 14.22 H new ATOM 0 HG SER A 448 0.130 3.295 -9.036 1.00 44.33 H new ATOM 2151 N LYS A 449 1.659 3.569 -5.371 1.00 52.34 N ATOM 2152 CA LYS A 449 1.596 4.509 -4.247 1.00 73.35 C ATOM 2153 C LYS A 449 2.449 4.019 -3.068 1.00 52.12 C ATOM 2154 O LYS A 449 3.198 4.807 -2.501 1.00 51.44 O ATOM 2155 CB LYS A 449 0.133 4.758 -3.796 1.00 35.01 C ATOM 2156 CG LYS A 449 -0.726 5.526 -4.830 1.00 32.13 C ATOM 2157 CD LYS A 449 -2.136 5.876 -4.299 1.00 64.21 C ATOM 2158 CE LYS A 449 -2.100 6.810 -3.075 1.00 23.52 C ATOM 2159 NZ LYS A 449 -3.457 7.070 -2.528 1.00 51.02 N ATOM 0 H LYS A 449 0.788 3.065 -5.539 1.00 52.34 H new ATOM 0 HA LYS A 449 2.005 5.458 -4.594 1.00 73.35 H new ATOM 0 HB2 LYS A 449 -0.340 3.798 -3.588 1.00 35.01 H new ATOM 0 HB3 LYS A 449 0.143 5.318 -2.861 1.00 35.01 H new ATOM 0 HG2 LYS A 449 -0.211 6.444 -5.112 1.00 32.13 H new ATOM 0 HG3 LYS A 449 -0.822 4.924 -5.734 1.00 32.13 H new ATOM 0 HD2 LYS A 449 -2.711 6.350 -5.095 1.00 64.21 H new ATOM 0 HD3 LYS A 449 -2.657 4.956 -4.033 1.00 64.21 H new ATOM 0 HE2 LYS A 449 -1.476 6.366 -2.299 1.00 23.52 H new ATOM 0 HE3 LYS A 449 -1.636 7.756 -3.355 1.00 23.52 H new ATOM 0 HZ1 LYS A 449 -3.396 7.781 -1.772 1.00 51.02 H new ATOM 0 HZ2 LYS A 449 -4.075 7.423 -3.286 1.00 51.02 H new ATOM 0 HZ3 LYS A 449 -3.851 6.188 -2.143 1.00 51.02 H new ATOM 2173 N LEU A 450 2.369 2.702 -2.736 1.00 2.32 N ATOM 2174 CA LEU A 450 3.081 2.140 -1.557 1.00 61.05 C ATOM 2175 C LEU A 450 4.592 2.086 -1.815 1.00 54.11 C ATOM 2176 O LEU A 450 5.380 2.058 -0.878 1.00 34.31 O ATOM 2177 CB LEU A 450 2.499 0.753 -1.068 1.00 73.41 C ATOM 2178 CG LEU A 450 2.786 -0.579 -1.875 1.00 31.41 C ATOM 2179 CD1 LEU A 450 4.216 -1.155 -1.675 1.00 40.32 C ATOM 2180 CD2 LEU A 450 1.731 -1.663 -1.541 1.00 3.34 C ATOM 0 H LEU A 450 1.825 2.017 -3.262 1.00 2.32 H new ATOM 0 HA LEU A 450 2.904 2.822 -0.725 1.00 61.05 H new ATOM 0 HB2 LEU A 450 2.860 0.595 -0.052 1.00 73.41 H new ATOM 0 HB3 LEU A 450 1.416 0.864 -1.008 1.00 73.41 H new ATOM 0 HG LEU A 450 2.715 -0.297 -2.926 1.00 31.41 H new ATOM 0 HD11 LEU A 450 4.327 -2.066 -2.263 1.00 40.32 H new ATOM 0 HD12 LEU A 450 4.953 -0.421 -2.001 1.00 40.32 H new ATOM 0 HD13 LEU A 450 4.372 -1.382 -0.621 1.00 40.32 H new ATOM 0 HD21 LEU A 450 1.948 -2.569 -2.107 1.00 3.34 H new ATOM 0 HD22 LEU A 450 1.763 -1.885 -0.474 1.00 3.34 H new ATOM 0 HD23 LEU A 450 0.739 -1.299 -1.806 1.00 3.34 H new ATOM 2192 N ASN A 451 4.972 2.066 -3.106 1.00 12.41 N ATOM 2193 CA ASN A 451 6.380 2.107 -3.543 1.00 44.22 C ATOM 2194 C ASN A 451 6.948 3.508 -3.272 1.00 74.43 C ATOM 2195 O ASN A 451 8.023 3.653 -2.665 1.00 50.20 O ATOM 2196 CB ASN A 451 6.477 1.746 -5.053 1.00 72.25 C ATOM 2197 CG ASN A 451 7.908 1.771 -5.608 1.00 2.44 C ATOM 2198 OD1 ASN A 451 8.632 0.780 -5.530 1.00 62.55 O ATOM 2199 ND2 ASN A 451 8.318 2.892 -6.184 1.00 72.43 N ATOM 0 H ASN A 451 4.308 2.021 -3.879 1.00 12.41 H new ATOM 0 HA ASN A 451 6.965 1.376 -2.985 1.00 44.22 H new ATOM 0 HB2 ASN A 451 6.055 0.753 -5.207 1.00 72.25 H new ATOM 0 HB3 ASN A 451 5.864 2.444 -5.623 1.00 72.25 H new ATOM 0 HD21 ASN A 451 9.257 2.949 -6.578 1.00 72.43 H new ATOM 0 HD22 ASN A 451 7.694 3.698 -6.234 1.00 72.43 H new ATOM 2206 N ASN A 452 6.186 4.531 -3.729 1.00 73.33 N ATOM 2207 CA ASN A 452 6.507 5.956 -3.513 1.00 23.32 C ATOM 2208 C ASN A 452 6.608 6.274 -2.013 1.00 72.23 C ATOM 2209 O ASN A 452 7.581 6.908 -1.560 1.00 13.11 O ATOM 2210 CB ASN A 452 5.429 6.861 -4.176 1.00 52.42 C ATOM 2211 CG ASN A 452 5.688 8.370 -4.009 1.00 32.10 C ATOM 2212 OD1 ASN A 452 6.835 8.825 -3.979 1.00 22.05 O ATOM 2213 ND2 ASN A 452 4.625 9.156 -3.881 1.00 65.13 N ATOM 0 H ASN A 452 5.327 4.386 -4.260 1.00 73.33 H new ATOM 0 HA ASN A 452 7.473 6.158 -3.975 1.00 23.32 H new ATOM 0 HB2 ASN A 452 5.377 6.627 -5.239 1.00 52.42 H new ATOM 0 HB3 ASN A 452 4.455 6.621 -3.749 1.00 52.42 H new ATOM 0 HD21 ASN A 452 4.746 10.161 -3.754 1.00 65.13 H new ATOM 0 HD22 ASN A 452 3.688 8.755 -3.909 1.00 65.13 H new ATOM 2220 N THR A 453 5.605 5.806 -1.254 1.00 23.11 N ATOM 2221 CA THR A 453 5.499 6.081 0.171 1.00 55.22 C ATOM 2222 C THR A 453 6.672 5.431 0.921 1.00 71.25 C ATOM 2223 O THR A 453 7.476 6.159 1.476 1.00 13.00 O ATOM 2224 CB THR A 453 4.126 5.626 0.764 1.00 63.35 C ATOM 2225 OG1 THR A 453 3.937 4.252 0.494 1.00 5.14 O ATOM 2226 CG2 THR A 453 2.930 6.418 0.190 1.00 61.23 C ATOM 0 H THR A 453 4.849 5.227 -1.619 1.00 23.11 H new ATOM 0 HA THR A 453 5.549 7.162 0.305 1.00 55.22 H new ATOM 0 HB THR A 453 4.160 5.818 1.836 1.00 63.35 H new ATOM 0 HG1 THR A 453 3.423 3.843 1.221 1.00 5.14 H new ATOM 0 HG21 THR A 453 2.005 6.057 0.640 1.00 61.23 H new ATOM 0 HG22 THR A 453 3.053 7.477 0.415 1.00 61.23 H new ATOM 0 HG23 THR A 453 2.887 6.279 -0.890 1.00 61.23 H new ATOM 2234 N SER A 454 6.811 4.081 0.847 1.00 43.14 N ATOM 2235 CA SER A 454 7.886 3.319 1.552 1.00 2.14 C ATOM 2236 C SER A 454 9.288 3.899 1.292 1.00 15.51 C ATOM 2237 O SER A 454 10.135 3.898 2.191 1.00 71.40 O ATOM 2238 CB SER A 454 7.868 1.834 1.136 1.00 30.45 C ATOM 2239 OG SER A 454 8.074 1.700 -0.258 1.00 3.03 O ATOM 0 H SER A 454 6.186 3.489 0.300 1.00 43.14 H new ATOM 0 HA SER A 454 7.676 3.408 2.618 1.00 2.14 H new ATOM 0 HB2 SER A 454 8.643 1.291 1.677 1.00 30.45 H new ATOM 0 HB3 SER A 454 6.913 1.386 1.412 1.00 30.45 H new ATOM 0 HG SER A 454 7.218 1.792 -0.726 1.00 3.03 H new ATOM 2245 N SER A 455 9.503 4.390 0.052 1.00 62.12 N ATOM 2246 CA SER A 455 10.732 5.099 -0.330 1.00 41.13 C ATOM 2247 C SER A 455 10.969 6.334 0.581 1.00 42.35 C ATOM 2248 O SER A 455 11.940 6.364 1.357 1.00 51.42 O ATOM 2249 CB SER A 455 10.660 5.514 -1.818 1.00 31.31 C ATOM 2250 OG SER A 455 11.771 6.315 -2.199 1.00 31.03 O ATOM 0 H SER A 455 8.827 4.303 -0.707 1.00 62.12 H new ATOM 0 HA SER A 455 11.578 4.425 -0.196 1.00 41.13 H new ATOM 0 HB2 SER A 455 10.625 4.621 -2.443 1.00 31.31 H new ATOM 0 HB3 SER A 455 9.737 6.065 -1.997 1.00 31.31 H new ATOM 0 HG SER A 455 11.691 6.556 -3.146 1.00 31.03 H new ATOM 2256 N TYR A 456 10.051 7.331 0.532 1.00 12.43 N ATOM 2257 CA TYR A 456 10.229 8.581 1.310 1.00 42.35 C ATOM 2258 C TYR A 456 9.996 8.380 2.827 1.00 71.20 C ATOM 2259 O TYR A 456 10.453 9.193 3.624 1.00 25.23 O ATOM 2260 CB TYR A 456 9.409 9.781 0.737 1.00 30.34 C ATOM 2261 CG TYR A 456 7.862 9.684 0.688 1.00 20.13 C ATOM 2262 CD1 TYR A 456 7.093 9.509 1.842 1.00 13.52 C ATOM 2263 CD2 TYR A 456 7.168 9.867 -0.517 1.00 14.32 C ATOM 2264 CE1 TYR A 456 5.714 9.502 1.796 1.00 11.54 C ATOM 2265 CE2 TYR A 456 5.786 9.848 -0.563 1.00 20.11 C ATOM 2266 CZ TYR A 456 5.065 9.675 0.596 1.00 63.42 C ATOM 2267 OH TYR A 456 3.687 9.679 0.558 1.00 25.55 O ATOM 0 H TYR A 456 9.198 7.296 -0.026 1.00 12.43 H new ATOM 0 HA TYR A 456 11.279 8.851 1.193 1.00 42.35 H new ATOM 0 HB2 TYR A 456 9.664 10.663 1.324 1.00 30.34 H new ATOM 0 HB3 TYR A 456 9.759 9.962 -0.279 1.00 30.34 H new ATOM 0 HD1 TYR A 456 7.590 9.376 2.792 1.00 13.52 H new ATOM 0 HD2 TYR A 456 7.725 10.026 -1.429 1.00 14.32 H new ATOM 0 HE1 TYR A 456 5.144 9.361 2.703 1.00 11.54 H new ATOM 0 HE2 TYR A 456 5.274 9.969 -1.506 1.00 20.11 H new ATOM 0 HH TYR A 456 3.386 9.813 -0.365 1.00 25.55 H new ATOM 2277 N LEU A 457 9.280 7.299 3.201 1.00 12.02 N ATOM 2278 CA LEU A 457 8.982 6.951 4.608 1.00 11.22 C ATOM 2279 C LEU A 457 10.237 6.404 5.294 1.00 34.34 C ATOM 2280 O LEU A 457 10.469 6.685 6.468 1.00 14.45 O ATOM 2281 CB LEU A 457 7.841 5.882 4.722 1.00 5.04 C ATOM 2282 CG LEU A 457 6.384 6.342 4.404 1.00 33.33 C ATOM 2283 CD1 LEU A 457 5.378 5.171 4.559 1.00 21.11 C ATOM 2284 CD2 LEU A 457 5.987 7.536 5.279 1.00 41.55 C ATOM 0 H LEU A 457 8.889 6.637 2.530 1.00 12.02 H new ATOM 0 HA LEU A 457 8.648 7.866 5.098 1.00 11.22 H new ATOM 0 HB2 LEU A 457 8.086 5.057 4.053 1.00 5.04 H new ATOM 0 HB3 LEU A 457 7.854 5.484 5.737 1.00 5.04 H new ATOM 0 HG LEU A 457 6.353 6.664 3.363 1.00 33.33 H new ATOM 0 HD11 LEU A 457 4.372 5.523 4.331 1.00 21.11 H new ATOM 0 HD12 LEU A 457 5.646 4.368 3.872 1.00 21.11 H new ATOM 0 HD13 LEU A 457 5.408 4.798 5.583 1.00 21.11 H new ATOM 0 HD21 LEU A 457 4.968 7.839 5.040 1.00 41.55 H new ATOM 0 HD22 LEU A 457 6.044 7.252 6.330 1.00 41.55 H new ATOM 0 HD23 LEU A 457 6.667 8.367 5.090 1.00 41.55 H new ATOM 2296 N THR A 458 11.023 5.587 4.562 1.00 30.11 N ATOM 2297 CA THR A 458 12.248 4.981 5.113 1.00 11.35 C ATOM 2298 C THR A 458 13.368 6.025 5.185 1.00 74.42 C ATOM 2299 O THR A 458 14.182 6.005 6.110 1.00 24.41 O ATOM 2300 CB THR A 458 12.700 3.693 4.329 1.00 43.05 C ATOM 2301 OG1 THR A 458 13.616 2.936 5.133 1.00 54.30 O ATOM 2302 CG2 THR A 458 13.352 3.988 2.963 1.00 3.41 C ATOM 0 H THR A 458 10.830 5.334 3.593 1.00 30.11 H new ATOM 0 HA THR A 458 12.019 4.645 6.124 1.00 11.35 H new ATOM 0 HB THR A 458 11.791 3.127 4.126 1.00 43.05 H new ATOM 0 HG1 THR A 458 13.895 2.134 4.644 1.00 54.30 H new ATOM 0 HG21 THR A 458 13.636 3.050 2.485 1.00 3.41 H new ATOM 0 HG22 THR A 458 12.642 4.519 2.328 1.00 3.41 H new ATOM 0 HG23 THR A 458 14.239 4.604 3.109 1.00 3.41 H new ATOM 2310 N GLN A 459 13.367 6.960 4.213 1.00 72.34 N ATOM 2311 CA GLN A 459 14.272 8.121 4.221 1.00 23.42 C ATOM 2312 C GLN A 459 13.893 9.089 5.365 1.00 54.15 C ATOM 2313 O GLN A 459 14.768 9.652 6.020 1.00 0.11 O ATOM 2314 CB GLN A 459 14.227 8.837 2.847 1.00 50.23 C ATOM 2315 CG GLN A 459 14.695 7.967 1.656 1.00 20.50 C ATOM 2316 CD GLN A 459 14.604 8.655 0.279 1.00 0.05 C ATOM 2317 OE1 GLN A 459 13.607 9.512 0.075 1.00 44.51 O flip ATOM 2318 NE2 GLN A 459 15.418 8.394 -0.611 1.00 64.42 N flip ATOM 0 H GLN A 459 12.742 6.930 3.407 1.00 72.34 H new ATOM 0 HA GLN A 459 15.292 7.777 4.395 1.00 23.42 H new ATOM 0 HB2 GLN A 459 13.207 9.171 2.658 1.00 50.23 H new ATOM 0 HB3 GLN A 459 14.850 9.730 2.896 1.00 50.23 H new ATOM 0 HG2 GLN A 459 15.728 7.665 1.828 1.00 20.50 H new ATOM 0 HG3 GLN A 459 14.097 7.056 1.632 1.00 20.50 H new ATOM 0 HE21 GLN A 459 16.175 7.734 -0.432 1.00 64.42 H new ATOM 0 HE22 GLN A 459 15.334 8.839 -1.525 1.00 64.42 H new ATOM 2327 N GLN A 460 12.574 9.247 5.609 1.00 33.23 N ATOM 2328 CA GLN A 460 12.053 10.109 6.693 1.00 21.11 C ATOM 2329 C GLN A 460 12.327 9.481 8.071 1.00 71.15 C ATOM 2330 O GLN A 460 12.637 10.190 9.021 1.00 4.41 O ATOM 2331 CB GLN A 460 10.530 10.371 6.512 1.00 64.35 C ATOM 2332 CG GLN A 460 9.883 11.300 7.572 1.00 23.34 C ATOM 2333 CD GLN A 460 10.546 12.686 7.673 1.00 34.23 C ATOM 2334 OE1 GLN A 460 10.184 13.614 6.956 1.00 22.53 O ATOM 2335 NE2 GLN A 460 11.506 12.839 8.577 1.00 5.51 N ATOM 0 H GLN A 460 11.845 8.785 5.065 1.00 33.23 H new ATOM 0 HA GLN A 460 12.574 11.065 6.639 1.00 21.11 H new ATOM 0 HB2 GLN A 460 10.368 10.806 5.526 1.00 64.35 H new ATOM 0 HB3 GLN A 460 10.010 9.413 6.527 1.00 64.35 H new ATOM 0 HG2 GLN A 460 8.828 11.429 7.332 1.00 23.34 H new ATOM 0 HG3 GLN A 460 9.931 10.813 8.546 1.00 23.34 H new ATOM 0 HE21 GLN A 460 11.788 12.051 9.160 1.00 5.51 H new ATOM 0 HE22 GLN A 460 11.962 13.745 8.688 1.00 5.51 H new ATOM 2344 N PHE A 461 12.209 8.142 8.159 1.00 41.31 N ATOM 2345 CA PHE A 461 12.488 7.387 9.398 1.00 63.31 C ATOM 2346 C PHE A 461 13.959 7.540 9.783 1.00 74.32 C ATOM 2347 O PHE A 461 14.275 7.942 10.907 1.00 1.05 O ATOM 2348 CB PHE A 461 12.137 5.878 9.226 1.00 63.00 C ATOM 2349 CG PHE A 461 12.664 4.955 10.341 1.00 31.10 C ATOM 2350 CD1 PHE A 461 12.334 5.179 11.680 1.00 53.22 C ATOM 2351 CD2 PHE A 461 13.501 3.872 10.048 1.00 23.41 C ATOM 2352 CE1 PHE A 461 12.835 4.365 12.679 1.00 22.02 C ATOM 2353 CE2 PHE A 461 13.993 3.057 11.052 1.00 73.31 C ATOM 2354 CZ PHE A 461 13.657 3.304 12.365 1.00 55.45 C ATOM 0 H PHE A 461 11.919 7.555 7.377 1.00 41.31 H new ATOM 0 HA PHE A 461 11.863 7.794 10.193 1.00 63.31 H new ATOM 0 HB2 PHE A 461 11.053 5.776 9.173 1.00 63.00 H new ATOM 0 HB3 PHE A 461 12.536 5.534 8.272 1.00 63.00 H new ATOM 0 HD1 PHE A 461 11.679 5.998 11.938 1.00 53.22 H new ATOM 0 HD2 PHE A 461 13.767 3.669 9.021 1.00 23.41 H new ATOM 0 HE1 PHE A 461 12.581 4.561 13.710 1.00 22.02 H new ATOM 0 HE2 PHE A 461 14.640 2.228 10.807 1.00 73.31 H new ATOM 0 HZ PHE A 461 14.038 2.666 13.149 1.00 55.45 H new ATOM 2364 N THR A 462 14.838 7.219 8.818 1.00 43.13 N ATOM 2365 CA THR A 462 16.284 7.277 9.001 1.00 13.13 C ATOM 2366 C THR A 462 16.724 8.703 9.368 1.00 13.24 C ATOM 2367 O THR A 462 17.492 8.876 10.300 1.00 14.25 O ATOM 2368 CB THR A 462 17.031 6.778 7.721 1.00 54.51 C ATOM 2369 OG1 THR A 462 16.636 5.425 7.418 1.00 62.51 O ATOM 2370 CG2 THR A 462 18.558 6.817 7.882 1.00 55.34 C ATOM 0 H THR A 462 14.556 6.911 7.887 1.00 43.13 H new ATOM 0 HA THR A 462 16.549 6.613 9.824 1.00 13.13 H new ATOM 0 HB THR A 462 16.755 7.453 6.911 1.00 54.51 H new ATOM 0 HG1 THR A 462 15.783 5.434 6.935 1.00 62.51 H new ATOM 0 HG21 THR A 462 19.030 6.461 6.966 1.00 55.34 H new ATOM 0 HG22 THR A 462 18.877 7.840 8.080 1.00 55.34 H new ATOM 0 HG23 THR A 462 18.853 6.178 8.714 1.00 55.34 H new ATOM 2378 N ALA A 463 16.163 9.712 8.668 1.00 42.21 N ATOM 2379 CA ALA A 463 16.490 11.129 8.910 1.00 15.24 C ATOM 2380 C ALA A 463 16.064 11.568 10.326 1.00 53.21 C ATOM 2381 O ALA A 463 16.887 12.078 11.108 1.00 45.24 O ATOM 2382 CB ALA A 463 15.837 12.027 7.846 1.00 31.23 C ATOM 0 H ALA A 463 15.477 9.567 7.927 1.00 42.21 H new ATOM 0 HA ALA A 463 17.572 11.238 8.837 1.00 15.24 H new ATOM 0 HB1 ALA A 463 16.091 13.068 8.043 1.00 31.23 H new ATOM 0 HB2 ALA A 463 16.202 11.745 6.858 1.00 31.23 H new ATOM 0 HB3 ALA A 463 14.754 11.905 7.881 1.00 31.23 H new ATOM 2388 N MET A 464 14.785 11.301 10.654 1.00 34.01 N ATOM 2389 CA MET A 464 14.155 11.695 11.940 1.00 31.43 C ATOM 2390 C MET A 464 14.869 11.036 13.134 1.00 64.41 C ATOM 2391 O MET A 464 14.916 11.596 14.232 1.00 4.32 O ATOM 2392 CB MET A 464 12.652 11.293 11.935 1.00 72.04 C ATOM 2393 CG MET A 464 11.842 11.721 13.175 1.00 52.54 C ATOM 2394 SD MET A 464 10.159 11.056 13.182 1.00 33.52 S ATOM 2395 CE MET A 464 9.449 11.768 11.693 1.00 13.21 C ATOM 0 H MET A 464 14.150 10.801 10.032 1.00 34.01 H new ATOM 0 HA MET A 464 14.244 12.776 12.046 1.00 31.43 H new ATOM 0 HB2 MET A 464 12.183 11.724 11.051 1.00 72.04 H new ATOM 0 HB3 MET A 464 12.585 10.210 11.836 1.00 72.04 H new ATOM 0 HG2 MET A 464 12.362 11.390 14.074 1.00 52.54 H new ATOM 0 HG3 MET A 464 11.797 12.809 13.215 1.00 52.54 H new ATOM 0 HE1 MET A 464 8.438 12.117 11.903 1.00 13.21 H new ATOM 0 HE2 MET A 464 10.062 12.607 11.363 1.00 13.21 H new ATOM 0 HE3 MET A 464 9.416 11.012 10.908 1.00 13.21 H new ATOM 2405 N ASN A 465 15.414 9.837 12.896 1.00 74.33 N ATOM 2406 CA ASN A 465 16.124 9.057 13.914 1.00 54.34 C ATOM 2407 C ASN A 465 17.623 9.465 13.903 1.00 61.22 C ATOM 2408 O ASN A 465 18.063 10.238 14.759 1.00 74.12 O ATOM 2409 CB ASN A 465 15.899 7.537 13.642 1.00 51.41 C ATOM 2410 CG ASN A 465 16.217 6.619 14.825 1.00 35.33 C ATOM 2411 OD1 ASN A 465 17.066 6.909 15.667 1.00 64.41 O ATOM 2412 ND2 ASN A 465 15.552 5.478 14.876 1.00 32.14 N ATOM 0 H ASN A 465 15.374 9.379 11.986 1.00 74.33 H new ATOM 0 HA ASN A 465 15.740 9.262 14.913 1.00 54.34 H new ATOM 0 HB2 ASN A 465 14.860 7.384 13.351 1.00 51.41 H new ATOM 0 HB3 ASN A 465 16.515 7.239 12.793 1.00 51.41 H new ATOM 0 HD21 ASN A 465 15.738 4.813 15.627 1.00 32.14 H new ATOM 0 HD22 ASN A 465 14.853 5.263 14.165 1.00 32.14 H new ATOM 2419 N LYS A 466 18.397 8.965 12.909 1.00 21.24 N ATOM 2420 CA LYS A 466 19.824 9.335 12.709 1.00 24.51 C ATOM 2421 C LYS A 466 20.079 9.862 11.257 1.00 61.53 C ATOM 2422 O LYS A 466 20.534 9.106 10.381 1.00 11.02 O ATOM 2423 CB LYS A 466 20.773 8.133 13.068 1.00 25.35 C ATOM 2424 CG LYS A 466 20.460 6.770 12.368 1.00 43.24 C ATOM 2425 CD LYS A 466 19.426 5.896 13.115 1.00 51.13 C ATOM 2426 CE LYS A 466 19.926 5.442 14.496 1.00 5.32 C ATOM 2427 NZ LYS A 466 18.952 4.556 15.189 1.00 32.23 N ATOM 0 H LYS A 466 18.052 8.294 12.223 1.00 21.24 H new ATOM 0 HA LYS A 466 20.057 10.152 13.392 1.00 24.51 H new ATOM 0 HB2 LYS A 466 21.795 8.418 12.820 1.00 25.35 H new ATOM 0 HB3 LYS A 466 20.738 7.980 14.147 1.00 25.35 H new ATOM 0 HG2 LYS A 466 20.092 6.968 11.361 1.00 43.24 H new ATOM 0 HG3 LYS A 466 21.387 6.207 12.264 1.00 43.24 H new ATOM 0 HD2 LYS A 466 18.499 6.457 13.234 1.00 51.13 H new ATOM 0 HD3 LYS A 466 19.192 5.019 12.511 1.00 51.13 H new ATOM 0 HE2 LYS A 466 20.874 4.916 14.381 1.00 5.32 H new ATOM 0 HE3 LYS A 466 20.120 6.318 15.115 1.00 5.32 H new ATOM 0 HZ1 LYS A 466 19.451 3.976 15.894 1.00 32.23 H new ATOM 0 HZ2 LYS A 466 18.232 5.137 15.665 1.00 32.23 H new ATOM 0 HZ3 LYS A 466 18.492 3.935 14.493 1.00 32.23 H new ATOM 2441 N SER A 467 19.704 11.138 10.977 1.00 0.33 N ATOM 2442 CA SER A 467 20.056 11.820 9.703 1.00 60.35 C ATOM 2443 C SER A 467 21.597 11.935 9.546 1.00 35.02 C ATOM 2444 O SER A 467 22.168 11.285 8.652 1.00 32.43 O ATOM 2445 CB SER A 467 19.402 13.224 9.641 1.00 24.43 C ATOM 2446 OG SER A 467 19.563 13.837 8.375 1.00 1.31 O ATOM 2447 OXT SER A 467 22.229 12.652 10.355 1.00 37.21 O ATOM 0 H SER A 467 19.158 11.715 11.617 1.00 0.33 H new ATOM 0 HA SER A 467 19.672 11.219 8.879 1.00 60.35 H new ATOM 0 HB2 SER A 467 18.339 13.138 9.868 1.00 24.43 H new ATOM 0 HB3 SER A 467 19.841 13.861 10.409 1.00 24.43 H new ATOM 0 HG SER A 467 19.134 14.718 8.381 1.00 1.31 H new TER 2453 SER A 467