USER MOD reduce.3.24.130724 H: found=0, std=0, add=1235, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1238 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: B 117 ASN : amide:sc= 0.12 X(o=0.36,f=0.15) USER MOD Set 1.2: B 118 THR OG1 : rot 180:sc= 0.24 USER MOD Set 2.1: A 68 HIS : +bothHN:sc= 0.0815! C(o=0.039!,f=-8.1!) USER MOD Set 2.2: B 109 GLN : amide:sc= -0.0421 K(o=0.039,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 1.12 (180deg=0.152) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 1.14 (180deg=1.04) USER MOD Single : A 7 THR OG1 : rot -160:sc= -1.16 USER MOD Single : A 9 THR OG1 : rot -25:sc= 0.57 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0544) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -96:sc= 0.167 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 161:sc= 1.31 USER MOD Single : A 25 ASN : amide:sc= 0.902 K(o=0.9,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= 1.99 (180deg=-0.0591) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.17) USER MOD Single : A 31 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.89) USER MOD Single : A 33 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.385) USER MOD Single : A 40 GLN : amide:sc= 1.11 K(o=1.1,f=-0.085) USER MOD Single : A 41 GLN : amide:sc= -2.06 K(o=-2.1,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.7!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0394 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -39:sc= 0.455 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -93:sc= 0.704 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= -0.0288 K(o=-0.029,f=-1.4!) USER MOD Single : B 51 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.9!) USER MOD Single : B 52 GLN : amide:sc= -0.523 K(o=-0.52,f=-6.8!) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0.0828 USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 56 LYS NZ :NH3+ 158:sc= 1.21 (180deg=0.677) USER MOD Single : B 59 TYR OH : rot 180:sc= -1.37 USER MOD Single : B 62 LYS NZ :NH3+ -158:sc= -0.073 (180deg=-0.368) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 SER OG : rot 180:sc= 0.00463 USER MOD Single : B 73 ASN : amide:sc= 0.698 K(o=0.7,f=-0.3) USER MOD Single : B 78 SER OG : rot 180:sc=6.69e-05 USER MOD Single : B 79 TYR OH : rot 180:sc= 0 USER MOD Single : B 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 83 TYR OH : rot -15:sc= 0.874 USER MOD Single : B 84 ASN : amide:sc= -0.509 K(o=-0.51,f=-5!) USER MOD Single : B 85 THR OG1 : rot -83:sc= 1.17 USER MOD Single : B 86 SER OG : rot 180:sc= -0.0292 USER MOD Single : B 92 THR OG1 : rot -48:sc= 0.546 USER MOD Single : B 94 TYR OH : rot 180:sc= 0 USER MOD Single : B 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 98 GLN : amide:sc=-0.00927 K(o=-0.0093,f=-1.3) USER MOD Single : B 99 LYS NZ :NH3+ -116:sc= 0.915 (180deg=-0.0201) USER MOD Single : B 100 ASN : amide:sc= 0.299 K(o=0.3,f=-0.41) USER MOD Single : B 103 ASN : amide:sc= -0.0643 K(o=-0.064,f=-3.8!) USER MOD Single : B 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 112 LYS NZ :NH3+ -143:sc= 1.13 (180deg=0.767) USER MOD Single : B 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 121 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.12) USER MOD Single : B 122 MET CE :methyl 160:sc= -0.0387 (180deg=-0.358) USER MOD Single : B 127 ASN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.719 6.031 -8.850 1.00 1.33 N ATOM 2 CA MET A 1 -18.477 6.279 -9.619 1.00 1.28 C ATOM 3 C MET A 1 -17.547 5.081 -9.514 1.00 1.15 C ATOM 4 O MET A 1 -17.747 4.201 -8.675 1.00 1.19 O ATOM 5 CB MET A 1 -17.758 7.531 -9.101 1.00 1.53 C ATOM 6 CG MET A 1 -17.201 7.383 -7.692 1.00 1.58 C ATOM 7 SD MET A 1 -15.956 8.627 -7.297 1.00 1.88 S ATOM 8 CE MET A 1 -16.950 10.117 -7.248 1.00 1.44 C ATOM 0 H1 MET A 1 -20.543 6.289 -9.429 1.00 1.33 H new ATOM 0 H2 MET A 1 -19.775 5.024 -8.596 1.00 1.33 H new ATOM 0 H3 MET A 1 -19.712 6.606 -7.984 1.00 1.33 H new ATOM 0 HA MET A 1 -18.750 6.436 -10.663 1.00 1.28 H new ATOM 0 HB2 MET A 1 -16.942 7.776 -9.780 1.00 1.53 H new ATOM 0 HB3 MET A 1 -18.452 8.371 -9.120 1.00 1.53 H new ATOM 0 HG2 MET A 1 -18.018 7.453 -6.974 1.00 1.58 H new ATOM 0 HG3 MET A 1 -16.764 6.391 -7.582 1.00 1.58 H new ATOM 0 HE1 MET A 1 -16.314 10.971 -7.014 1.00 1.44 H new ATOM 0 HE2 MET A 1 -17.423 10.271 -8.218 1.00 1.44 H new ATOM 0 HE3 MET A 1 -17.719 10.016 -6.482 1.00 1.44 H new ATOM 20 N GLN A 2 -16.532 5.050 -10.362 1.00 1.16 N ATOM 21 CA GLN A 2 -15.565 3.969 -10.354 1.00 1.06 C ATOM 22 C GLN A 2 -14.298 4.411 -9.640 1.00 1.00 C ATOM 23 O GLN A 2 -13.867 5.556 -9.782 1.00 1.13 O ATOM 24 CB GLN A 2 -15.228 3.541 -11.780 1.00 1.18 C ATOM 25 CG GLN A 2 -16.294 2.681 -12.430 1.00 1.27 C ATOM 26 CD GLN A 2 -16.054 2.481 -13.911 1.00 1.41 C ATOM 27 OE1 GLN A 2 -15.392 1.529 -14.324 1.00 1.59 O ATOM 28 NE2 GLN A 2 -16.575 3.387 -14.723 1.00 1.75 N ATOM 0 H GLN A 2 -16.358 5.766 -11.067 1.00 1.16 H new ATOM 0 HA GLN A 2 -16.000 3.120 -9.826 1.00 1.06 H new ATOM 0 HB2 GLN A 2 -15.072 4.431 -12.389 1.00 1.18 H new ATOM 0 HB3 GLN A 2 -14.287 2.991 -11.771 1.00 1.18 H new ATOM 0 HG2 GLN A 2 -16.324 1.710 -11.936 1.00 1.27 H new ATOM 0 HG3 GLN A 2 -17.270 3.144 -12.283 1.00 1.27 H new ATOM 0 HE21 GLN A 2 -17.118 4.162 -14.342 1.00 1.75 H new ATOM 0 HE22 GLN A 2 -16.434 3.310 -15.730 1.00 1.75 H new ATOM 37 N ILE A 3 -13.717 3.518 -8.858 1.00 0.88 N ATOM 38 CA ILE A 3 -12.490 3.828 -8.141 1.00 0.82 C ATOM 39 C ILE A 3 -11.378 2.876 -8.559 1.00 0.81 C ATOM 40 O ILE A 3 -11.640 1.719 -8.905 1.00 0.85 O ATOM 41 CB ILE A 3 -12.661 3.773 -6.603 1.00 0.75 C ATOM 42 CG1 ILE A 3 -13.040 2.359 -6.127 1.00 0.68 C ATOM 43 CG2 ILE A 3 -13.690 4.801 -6.144 1.00 0.82 C ATOM 44 CD1 ILE A 3 -14.530 2.079 -6.107 1.00 1.10 C ATOM 0 H ILE A 3 -14.073 2.575 -8.703 1.00 0.88 H new ATOM 0 HA ILE A 3 -12.228 4.852 -8.406 1.00 0.82 H new ATOM 0 HB ILE A 3 -11.701 4.021 -6.149 1.00 0.75 H new ATOM 0 HG12 ILE A 3 -12.555 1.629 -6.775 1.00 0.68 H new ATOM 0 HG13 ILE A 3 -12.642 2.208 -5.124 1.00 0.68 H new ATOM 0 HG21 ILE A 3 -13.798 4.749 -5.061 1.00 0.82 H new ATOM 0 HG22 ILE A 3 -13.358 5.800 -6.428 1.00 0.82 H new ATOM 0 HG23 ILE A 3 -14.650 4.590 -6.615 1.00 0.82 H new ATOM 0 HD11 ILE A 3 -14.704 1.061 -5.759 1.00 1.10 H new ATOM 0 HD12 ILE A 3 -15.023 2.781 -5.435 1.00 1.10 H new ATOM 0 HD13 ILE A 3 -14.935 2.193 -7.112 1.00 1.10 H new ATOM 56 N PHE A 4 -10.147 3.367 -8.542 1.00 0.80 N ATOM 57 CA PHE A 4 -8.996 2.560 -8.909 1.00 0.81 C ATOM 58 C PHE A 4 -8.322 2.023 -7.658 1.00 0.75 C ATOM 59 O PHE A 4 -7.694 2.770 -6.906 1.00 0.82 O ATOM 60 CB PHE A 4 -8.002 3.382 -9.732 1.00 0.87 C ATOM 61 CG PHE A 4 -8.398 3.539 -11.172 1.00 0.99 C ATOM 62 CD1 PHE A 4 -8.087 2.556 -12.099 1.00 1.30 C ATOM 63 CD2 PHE A 4 -9.079 4.666 -11.601 1.00 1.00 C ATOM 64 CE1 PHE A 4 -8.445 2.696 -13.425 1.00 1.45 C ATOM 65 CE2 PHE A 4 -9.440 4.811 -12.928 1.00 1.14 C ATOM 66 CZ PHE A 4 -9.123 3.825 -13.840 1.00 1.30 C ATOM 0 H PHE A 4 -9.921 4.325 -8.276 1.00 0.80 H new ATOM 0 HA PHE A 4 -9.337 1.723 -9.518 1.00 0.81 H new ATOM 0 HB2 PHE A 4 -7.900 4.370 -9.282 1.00 0.87 H new ATOM 0 HB3 PHE A 4 -7.022 2.907 -9.683 1.00 0.87 H new ATOM 0 HD1 PHE A 4 -7.558 1.670 -11.780 1.00 1.30 H new ATOM 0 HD2 PHE A 4 -9.331 5.440 -10.891 1.00 1.00 H new ATOM 0 HE1 PHE A 4 -8.195 1.923 -14.137 1.00 1.45 H new ATOM 0 HE2 PHE A 4 -9.970 5.695 -13.250 1.00 1.14 H new ATOM 0 HZ PHE A 4 -9.405 3.936 -14.877 1.00 1.30 H new ATOM 76 N VAL A 5 -8.471 0.735 -7.422 1.00 0.66 N ATOM 77 CA VAL A 5 -7.871 0.122 -6.257 1.00 0.60 C ATOM 78 C VAL A 5 -6.524 -0.501 -6.618 1.00 0.60 C ATOM 79 O VAL A 5 -6.381 -1.159 -7.652 1.00 0.67 O ATOM 80 CB VAL A 5 -8.819 -0.920 -5.610 1.00 0.60 C ATOM 81 CG1 VAL A 5 -8.831 -2.233 -6.374 1.00 0.71 C ATOM 82 CG2 VAL A 5 -8.443 -1.147 -4.159 1.00 0.56 C ATOM 0 H VAL A 5 -8.999 0.097 -8.018 1.00 0.66 H new ATOM 0 HA VAL A 5 -7.699 0.902 -5.515 1.00 0.60 H new ATOM 0 HB VAL A 5 -9.830 -0.514 -5.654 1.00 0.60 H new ATOM 0 HG11 VAL A 5 -9.509 -2.933 -5.885 1.00 0.71 H new ATOM 0 HG12 VAL A 5 -9.167 -2.056 -7.396 1.00 0.71 H new ATOM 0 HG13 VAL A 5 -7.825 -2.653 -6.391 1.00 0.71 H new ATOM 0 HG21 VAL A 5 -9.118 -1.881 -3.719 1.00 0.56 H new ATOM 0 HG22 VAL A 5 -7.419 -1.516 -4.102 1.00 0.56 H new ATOM 0 HG23 VAL A 5 -8.522 -0.208 -3.612 1.00 0.56 H new ATOM 92 N LYS A 6 -5.530 -0.252 -5.785 1.00 0.58 N ATOM 93 CA LYS A 6 -4.193 -0.770 -6.009 1.00 0.63 C ATOM 94 C LYS A 6 -3.837 -1.791 -4.941 1.00 0.62 C ATOM 95 O LYS A 6 -3.804 -1.473 -3.753 1.00 0.59 O ATOM 96 CB LYS A 6 -3.180 0.376 -6.007 1.00 0.69 C ATOM 97 CG LYS A 6 -1.757 -0.055 -6.319 1.00 1.21 C ATOM 98 CD LYS A 6 -0.786 1.109 -6.177 1.00 1.24 C ATOM 99 CE LYS A 6 -1.015 2.167 -7.247 1.00 1.27 C ATOM 100 NZ LYS A 6 -0.232 3.405 -6.990 1.00 1.38 N ATOM 0 H LYS A 6 -5.625 0.311 -4.940 1.00 0.58 H new ATOM 0 HA LYS A 6 -4.165 -1.262 -6.981 1.00 0.63 H new ATOM 0 HB2 LYS A 6 -3.491 1.123 -6.738 1.00 0.69 H new ATOM 0 HB3 LYS A 6 -3.196 0.860 -5.030 1.00 0.69 H new ATOM 0 HG2 LYS A 6 -1.463 -0.861 -5.647 1.00 1.21 H new ATOM 0 HG3 LYS A 6 -1.708 -0.451 -7.333 1.00 1.21 H new ATOM 0 HD2 LYS A 6 -0.899 1.559 -5.191 1.00 1.24 H new ATOM 0 HD3 LYS A 6 0.237 0.739 -6.244 1.00 1.24 H new ATOM 0 HE2 LYS A 6 -0.741 1.761 -8.221 1.00 1.27 H new ATOM 0 HE3 LYS A 6 -2.076 2.413 -7.291 1.00 1.27 H new ATOM 0 HZ1 LYS A 6 -0.228 3.997 -7.845 1.00 1.38 H new ATOM 0 HZ2 LYS A 6 -0.665 3.933 -6.206 1.00 1.38 H new ATOM 0 HZ3 LYS A 6 0.745 3.152 -6.739 1.00 1.38 H new ATOM 114 N THR A 7 -3.587 -3.016 -5.369 1.00 0.66 N ATOM 115 CA THR A 7 -3.233 -4.087 -4.455 1.00 0.67 C ATOM 116 C THR A 7 -1.770 -3.961 -4.025 1.00 0.73 C ATOM 117 O THR A 7 -1.021 -3.160 -4.584 1.00 0.74 O ATOM 118 CB THR A 7 -3.468 -5.459 -5.114 1.00 0.71 C ATOM 119 OG1 THR A 7 -4.488 -5.339 -6.115 1.00 0.96 O ATOM 120 CG2 THR A 7 -3.885 -6.501 -4.085 1.00 0.94 C ATOM 0 H THR A 7 -3.623 -3.294 -6.350 1.00 0.66 H new ATOM 0 HA THR A 7 -3.869 -4.007 -3.573 1.00 0.67 H new ATOM 0 HB THR A 7 -2.533 -5.785 -5.570 1.00 0.71 H new ATOM 0 HG1 THR A 7 -4.862 -6.224 -6.308 1.00 0.96 H new ATOM 0 HG21 THR A 7 -4.044 -7.459 -4.581 1.00 0.94 H new ATOM 0 HG22 THR A 7 -3.101 -6.606 -3.335 1.00 0.94 H new ATOM 0 HG23 THR A 7 -4.810 -6.185 -3.602 1.00 0.94 H new ATOM 128 N LEU A 8 -1.376 -4.754 -3.034 1.00 0.81 N ATOM 129 CA LEU A 8 -0.010 -4.746 -2.508 1.00 0.90 C ATOM 130 C LEU A 8 1.041 -4.901 -3.610 1.00 0.96 C ATOM 131 O LEU A 8 2.047 -4.197 -3.614 1.00 1.02 O ATOM 132 CB LEU A 8 0.149 -5.872 -1.482 1.00 0.98 C ATOM 133 CG LEU A 8 1.544 -6.010 -0.864 1.00 1.11 C ATOM 134 CD1 LEU A 8 1.789 -4.908 0.157 1.00 1.20 C ATOM 135 CD2 LEU A 8 1.708 -7.380 -0.222 1.00 1.24 C ATOM 0 H LEU A 8 -1.993 -5.422 -2.571 1.00 0.81 H new ATOM 0 HA LEU A 8 0.154 -3.777 -2.037 1.00 0.90 H new ATOM 0 HB2 LEU A 8 -0.571 -5.712 -0.679 1.00 0.98 H new ATOM 0 HB3 LEU A 8 -0.112 -6.816 -1.961 1.00 0.98 H new ATOM 0 HG LEU A 8 2.284 -5.911 -1.658 1.00 1.11 H new ATOM 0 HD11 LEU A 8 2.785 -5.023 0.585 1.00 1.20 H new ATOM 0 HD12 LEU A 8 1.714 -3.936 -0.331 1.00 1.20 H new ATOM 0 HD13 LEU A 8 1.044 -4.974 0.950 1.00 1.20 H new ATOM 0 HD21 LEU A 8 2.704 -7.461 0.212 1.00 1.24 H new ATOM 0 HD22 LEU A 8 0.960 -7.507 0.560 1.00 1.24 H new ATOM 0 HD23 LEU A 8 1.577 -8.154 -0.978 1.00 1.24 H new ATOM 147 N THR A 9 0.796 -5.811 -4.548 1.00 0.98 N ATOM 148 CA THR A 9 1.737 -6.061 -5.637 1.00 1.08 C ATOM 149 C THR A 9 1.667 -4.974 -6.721 1.00 1.09 C ATOM 150 O THR A 9 2.404 -5.020 -7.710 1.00 1.26 O ATOM 151 CB THR A 9 1.488 -7.453 -6.268 1.00 1.14 C ATOM 152 OG1 THR A 9 2.487 -7.743 -7.252 1.00 1.25 O ATOM 153 CG2 THR A 9 0.102 -7.532 -6.901 1.00 1.12 C ATOM 0 H THR A 9 -0.045 -6.387 -4.577 1.00 0.98 H new ATOM 0 HA THR A 9 2.737 -6.037 -5.205 1.00 1.08 H new ATOM 0 HB THR A 9 1.545 -8.193 -5.470 1.00 1.14 H new ATOM 0 HG1 THR A 9 2.858 -6.905 -7.598 1.00 1.25 H new ATOM 0 HG21 THR A 9 -0.044 -8.521 -7.336 1.00 1.12 H new ATOM 0 HG22 THR A 9 -0.657 -7.355 -6.139 1.00 1.12 H new ATOM 0 HG23 THR A 9 0.015 -6.776 -7.682 1.00 1.12 H new ATOM 161 N GLY A 10 0.790 -3.993 -6.532 1.00 0.96 N ATOM 162 CA GLY A 10 0.654 -2.918 -7.500 1.00 1.01 C ATOM 163 C GLY A 10 -0.420 -3.190 -8.533 1.00 0.98 C ATOM 164 O GLY A 10 -0.541 -2.460 -9.520 1.00 1.12 O ATOM 0 H GLY A 10 0.170 -3.923 -5.725 1.00 0.96 H new ATOM 0 HA2 GLY A 10 0.421 -1.991 -6.976 1.00 1.01 H new ATOM 0 HA3 GLY A 10 1.608 -2.768 -8.005 1.00 1.01 H new ATOM 168 N LYS A 11 -1.199 -4.241 -8.311 1.00 0.97 N ATOM 169 CA LYS A 11 -2.275 -4.603 -9.226 1.00 0.94 C ATOM 170 C LYS A 11 -3.371 -3.546 -9.177 1.00 0.88 C ATOM 171 O LYS A 11 -3.860 -3.206 -8.103 1.00 0.93 O ATOM 172 CB LYS A 11 -2.841 -5.977 -8.858 1.00 0.93 C ATOM 173 CG LYS A 11 -3.824 -6.530 -9.875 1.00 1.18 C ATOM 174 CD LYS A 11 -4.329 -7.904 -9.463 1.00 1.26 C ATOM 175 CE LYS A 11 -5.283 -8.488 -10.494 1.00 1.59 C ATOM 176 NZ LYS A 11 -4.590 -8.849 -11.758 1.00 2.04 N ATOM 0 H LYS A 11 -1.106 -4.859 -7.505 1.00 0.97 H new ATOM 0 HA LYS A 11 -1.879 -4.653 -10.240 1.00 0.94 H new ATOM 0 HB2 LYS A 11 -2.016 -6.680 -8.745 1.00 0.93 H new ATOM 0 HB3 LYS A 11 -3.336 -5.908 -7.889 1.00 0.93 H new ATOM 0 HG2 LYS A 11 -4.667 -5.846 -9.979 1.00 1.18 H new ATOM 0 HG3 LYS A 11 -3.343 -6.594 -10.851 1.00 1.18 H new ATOM 0 HD2 LYS A 11 -3.482 -8.577 -9.329 1.00 1.26 H new ATOM 0 HD3 LYS A 11 -4.834 -7.832 -8.500 1.00 1.26 H new ATOM 0 HE2 LYS A 11 -5.765 -9.374 -10.080 1.00 1.59 H new ATOM 0 HE3 LYS A 11 -6.071 -7.766 -10.707 1.00 1.59 H new ATOM 0 HZ1 LYS A 11 -5.251 -9.350 -12.385 1.00 2.04 H new ATOM 0 HZ2 LYS A 11 -4.254 -7.985 -12.229 1.00 2.04 H new ATOM 0 HZ3 LYS A 11 -3.780 -9.465 -11.546 1.00 2.04 H new ATOM 190 N THR A 12 -3.739 -3.021 -10.331 1.00 0.85 N ATOM 191 CA THR A 12 -4.763 -1.994 -10.397 1.00 0.84 C ATOM 192 C THR A 12 -6.079 -2.563 -10.922 1.00 0.83 C ATOM 193 O THR A 12 -6.142 -3.095 -12.034 1.00 0.94 O ATOM 194 CB THR A 12 -4.304 -0.829 -11.289 1.00 0.94 C ATOM 195 OG1 THR A 12 -2.905 -0.575 -11.069 1.00 1.01 O ATOM 196 CG2 THR A 12 -5.108 0.431 -10.996 1.00 0.92 C ATOM 0 H THR A 12 -3.346 -3.288 -11.233 1.00 0.85 H new ATOM 0 HA THR A 12 -4.927 -1.623 -9.385 1.00 0.84 H new ATOM 0 HB THR A 12 -4.468 -1.106 -12.330 1.00 0.94 H new ATOM 0 HG1 THR A 12 -2.614 0.167 -11.639 1.00 1.01 H new ATOM 0 HG21 THR A 12 -4.764 1.240 -11.640 1.00 0.92 H new ATOM 0 HG22 THR A 12 -6.164 0.241 -11.185 1.00 0.92 H new ATOM 0 HG23 THR A 12 -4.972 0.715 -9.952 1.00 0.92 H new ATOM 204 N ILE A 13 -7.123 -2.463 -10.108 1.00 0.75 N ATOM 205 CA ILE A 13 -8.442 -2.961 -10.479 1.00 0.76 C ATOM 206 C ILE A 13 -9.484 -1.862 -10.300 1.00 0.76 C ATOM 207 O ILE A 13 -9.446 -1.114 -9.324 1.00 0.75 O ATOM 208 CB ILE A 13 -8.846 -4.190 -9.628 1.00 0.75 C ATOM 209 CG1 ILE A 13 -7.750 -5.261 -9.675 1.00 0.75 C ATOM 210 CG2 ILE A 13 -10.176 -4.766 -10.105 1.00 0.82 C ATOM 211 CD1 ILE A 13 -7.975 -6.406 -8.711 1.00 0.85 C ATOM 0 H ILE A 13 -7.081 -2.039 -9.181 1.00 0.75 H new ATOM 0 HA ILE A 13 -8.397 -3.266 -11.525 1.00 0.76 H new ATOM 0 HB ILE A 13 -8.966 -3.863 -8.595 1.00 0.75 H new ATOM 0 HG12 ILE A 13 -7.686 -5.658 -10.688 1.00 0.75 H new ATOM 0 HG13 ILE A 13 -6.790 -4.795 -9.454 1.00 0.75 H new ATOM 0 HG21 ILE A 13 -10.440 -5.628 -9.493 1.00 0.82 H new ATOM 0 HG22 ILE A 13 -10.954 -4.007 -10.017 1.00 0.82 H new ATOM 0 HG23 ILE A 13 -10.086 -5.074 -11.147 1.00 0.82 H new ATOM 0 HD11 ILE A 13 -7.159 -7.123 -8.802 1.00 0.85 H new ATOM 0 HD12 ILE A 13 -8.009 -6.022 -7.691 1.00 0.85 H new ATOM 0 HD13 ILE A 13 -8.919 -6.898 -8.945 1.00 0.85 H new ATOM 223 N THR A 14 -10.397 -1.749 -11.249 1.00 0.83 N ATOM 224 CA THR A 14 -11.442 -0.745 -11.171 1.00 0.86 C ATOM 225 C THR A 14 -12.738 -1.360 -10.652 1.00 0.83 C ATOM 226 O THR A 14 -13.164 -2.419 -11.117 1.00 0.89 O ATOM 227 CB THR A 14 -11.698 -0.097 -12.542 1.00 1.01 C ATOM 228 OG1 THR A 14 -10.501 -0.140 -13.336 1.00 1.16 O ATOM 229 CG2 THR A 14 -12.154 1.347 -12.379 1.00 1.39 C ATOM 0 H THR A 14 -10.435 -2.339 -12.080 1.00 0.83 H new ATOM 0 HA THR A 14 -11.103 0.026 -10.479 1.00 0.86 H new ATOM 0 HB THR A 14 -12.487 -0.657 -13.045 1.00 1.01 H new ATOM 0 HG1 THR A 14 -10.023 0.712 -13.254 1.00 1.16 H new ATOM 0 HG21 THR A 14 -12.329 1.786 -13.361 1.00 1.39 H new ATOM 0 HG22 THR A 14 -13.077 1.374 -11.799 1.00 1.39 H new ATOM 0 HG23 THR A 14 -11.383 1.916 -11.860 1.00 1.39 H new ATOM 237 N LEU A 15 -13.350 -0.704 -9.676 1.00 0.81 N ATOM 238 CA LEU A 15 -14.596 -1.183 -9.098 1.00 0.81 C ATOM 239 C LEU A 15 -15.717 -0.179 -9.338 1.00 0.88 C ATOM 240 O LEU A 15 -15.565 1.014 -9.060 1.00 0.89 O ATOM 241 CB LEU A 15 -14.427 -1.432 -7.596 1.00 0.76 C ATOM 242 CG LEU A 15 -14.781 -2.844 -7.115 1.00 0.80 C ATOM 243 CD1 LEU A 15 -16.252 -3.145 -7.346 1.00 0.99 C ATOM 244 CD2 LEU A 15 -13.911 -3.883 -7.803 1.00 0.85 C ATOM 0 H LEU A 15 -13.002 0.164 -9.268 1.00 0.81 H new ATOM 0 HA LEU A 15 -14.859 -2.123 -9.583 1.00 0.81 H new ATOM 0 HB2 LEU A 15 -13.392 -1.224 -7.326 1.00 0.76 H new ATOM 0 HB3 LEU A 15 -15.047 -0.717 -7.055 1.00 0.76 H new ATOM 0 HG LEU A 15 -14.588 -2.890 -6.043 1.00 0.80 H new ATOM 0 HD11 LEU A 15 -16.477 -4.153 -6.996 1.00 0.99 H new ATOM 0 HD12 LEU A 15 -16.861 -2.426 -6.798 1.00 0.99 H new ATOM 0 HD13 LEU A 15 -16.475 -3.072 -8.410 1.00 0.99 H new ATOM 0 HD21 LEU A 15 -14.180 -4.877 -7.446 1.00 0.85 H new ATOM 0 HD22 LEU A 15 -14.065 -3.831 -8.881 1.00 0.85 H new ATOM 0 HD23 LEU A 15 -12.863 -3.688 -7.576 1.00 0.85 H new ATOM 256 N GLU A 16 -16.829 -0.661 -9.872 1.00 0.98 N ATOM 257 CA GLU A 16 -17.977 0.185 -10.146 1.00 1.07 C ATOM 258 C GLU A 16 -18.997 0.099 -9.007 1.00 1.06 C ATOM 259 O GLU A 16 -19.578 -0.960 -8.742 1.00 1.07 O ATOM 260 CB GLU A 16 -18.621 -0.186 -11.497 1.00 1.19 C ATOM 261 CG GLU A 16 -19.156 -1.614 -11.587 1.00 1.26 C ATOM 262 CD GLU A 16 -18.088 -2.633 -11.931 1.00 1.29 C ATOM 263 OE1 GLU A 16 -17.296 -3.000 -11.037 1.00 1.32 O ATOM 264 OE2 GLU A 16 -18.045 -3.086 -13.094 1.00 1.35 O ATOM 0 H GLU A 16 -16.959 -1.640 -10.125 1.00 0.98 H new ATOM 0 HA GLU A 16 -17.633 1.217 -10.212 1.00 1.07 H new ATOM 0 HB2 GLU A 16 -19.440 0.506 -11.694 1.00 1.19 H new ATOM 0 HB3 GLU A 16 -17.883 -0.040 -12.286 1.00 1.19 H new ATOM 0 HG2 GLU A 16 -19.613 -1.884 -10.635 1.00 1.26 H new ATOM 0 HG3 GLU A 16 -19.942 -1.653 -12.341 1.00 1.26 H new ATOM 271 N VAL A 17 -19.182 1.211 -8.309 1.00 1.05 N ATOM 272 CA VAL A 17 -20.131 1.281 -7.200 1.00 1.06 C ATOM 273 C VAL A 17 -20.905 2.593 -7.250 1.00 1.12 C ATOM 274 O VAL A 17 -20.588 3.478 -8.050 1.00 1.18 O ATOM 275 CB VAL A 17 -19.433 1.148 -5.826 1.00 0.99 C ATOM 276 CG1 VAL A 17 -19.043 -0.297 -5.558 1.00 1.05 C ATOM 277 CG2 VAL A 17 -18.212 2.052 -5.751 1.00 0.92 C ATOM 0 H VAL A 17 -18.685 2.083 -8.491 1.00 1.05 H new ATOM 0 HA VAL A 17 -20.816 0.441 -7.312 1.00 1.06 H new ATOM 0 HB VAL A 17 -20.139 1.461 -5.057 1.00 0.99 H new ATOM 0 HG11 VAL A 17 -18.554 -0.368 -4.587 1.00 1.05 H new ATOM 0 HG12 VAL A 17 -19.936 -0.921 -5.561 1.00 1.05 H new ATOM 0 HG13 VAL A 17 -18.359 -0.639 -6.335 1.00 1.05 H new ATOM 0 HG21 VAL A 17 -17.737 1.942 -4.776 1.00 0.92 H new ATOM 0 HG22 VAL A 17 -17.505 1.774 -6.533 1.00 0.92 H new ATOM 0 HG23 VAL A 17 -18.518 3.089 -5.891 1.00 0.92 H new ATOM 287 N GLU A 18 -21.913 2.718 -6.406 1.00 1.15 N ATOM 288 CA GLU A 18 -22.729 3.921 -6.365 1.00 1.20 C ATOM 289 C GLU A 18 -22.242 4.865 -5.272 1.00 1.10 C ATOM 290 O GLU A 18 -21.595 4.433 -4.325 1.00 1.08 O ATOM 291 CB GLU A 18 -24.194 3.545 -6.135 1.00 1.39 C ATOM 292 CG GLU A 18 -24.797 2.742 -7.275 1.00 1.59 C ATOM 293 CD GLU A 18 -24.449 3.313 -8.636 1.00 1.73 C ATOM 294 OE1 GLU A 18 -24.462 4.549 -8.791 1.00 1.86 O ATOM 295 OE2 GLU A 18 -24.153 2.527 -9.559 1.00 1.92 O ATOM 0 H GLU A 18 -22.188 1.999 -5.737 1.00 1.15 H new ATOM 0 HA GLU A 18 -22.641 4.438 -7.321 1.00 1.20 H new ATOM 0 HB2 GLU A 18 -24.273 2.969 -5.213 1.00 1.39 H new ATOM 0 HB3 GLU A 18 -24.777 4.455 -5.993 1.00 1.39 H new ATOM 0 HG2 GLU A 18 -24.445 1.712 -7.216 1.00 1.59 H new ATOM 0 HG3 GLU A 18 -25.881 2.715 -7.162 1.00 1.59 H new ATOM 302 N PRO A 19 -22.534 6.175 -5.393 1.00 1.10 N ATOM 303 CA PRO A 19 -22.118 7.178 -4.402 1.00 1.06 C ATOM 304 C PRO A 19 -22.710 6.914 -3.019 1.00 1.10 C ATOM 305 O PRO A 19 -22.123 7.276 -1.997 1.00 1.13 O ATOM 306 CB PRO A 19 -22.653 8.499 -4.976 1.00 1.13 C ATOM 307 CG PRO A 19 -23.724 8.099 -5.931 1.00 1.32 C ATOM 308 CD PRO A 19 -23.279 6.789 -6.507 1.00 1.21 C ATOM 0 HA PRO A 19 -21.038 7.173 -4.251 1.00 1.06 H new ATOM 0 HB2 PRO A 19 -23.047 9.141 -4.188 1.00 1.13 H new ATOM 0 HB3 PRO A 19 -21.865 9.059 -5.479 1.00 1.13 H new ATOM 0 HG2 PRO A 19 -24.684 7.999 -5.424 1.00 1.32 H new ATOM 0 HG3 PRO A 19 -23.852 8.848 -6.713 1.00 1.32 H new ATOM 0 HD2 PRO A 19 -24.125 6.175 -6.814 1.00 1.21 H new ATOM 0 HD3 PRO A 19 -22.650 6.927 -7.386 1.00 1.21 H new ATOM 316 N SER A 20 -23.867 6.268 -2.997 1.00 1.16 N ATOM 317 CA SER A 20 -24.546 5.951 -1.753 1.00 1.26 C ATOM 318 C SER A 20 -24.215 4.534 -1.296 1.00 1.22 C ATOM 319 O SER A 20 -24.886 3.979 -0.429 1.00 1.29 O ATOM 320 CB SER A 20 -26.054 6.112 -1.939 1.00 1.42 C ATOM 321 OG SER A 20 -26.345 7.312 -2.641 1.00 1.50 O ATOM 0 H SER A 20 -24.356 5.952 -3.834 1.00 1.16 H new ATOM 0 HA SER A 20 -24.202 6.640 -0.981 1.00 1.26 H new ATOM 0 HB2 SER A 20 -26.452 5.258 -2.487 1.00 1.42 H new ATOM 0 HB3 SER A 20 -26.547 6.124 -0.967 1.00 1.42 H new ATOM 0 HG SER A 20 -27.315 7.399 -2.753 1.00 1.50 H new ATOM 327 N ASP A 21 -23.176 3.958 -1.881 1.00 1.13 N ATOM 328 CA ASP A 21 -22.757 2.611 -1.521 1.00 1.09 C ATOM 329 C ASP A 21 -21.786 2.651 -0.356 1.00 1.02 C ATOM 330 O ASP A 21 -20.872 3.479 -0.323 1.00 1.03 O ATOM 331 CB ASP A 21 -22.107 1.905 -2.711 1.00 1.08 C ATOM 332 CG ASP A 21 -23.011 0.862 -3.328 1.00 1.32 C ATOM 333 OD1 ASP A 21 -23.688 0.131 -2.573 1.00 1.46 O ATOM 334 OD2 ASP A 21 -23.048 0.765 -4.574 1.00 1.65 O ATOM 0 H ASP A 21 -22.609 4.400 -2.605 1.00 1.13 H new ATOM 0 HA ASP A 21 -23.645 2.052 -1.227 1.00 1.09 H new ATOM 0 HB2 ASP A 21 -21.841 2.644 -3.467 1.00 1.08 H new ATOM 0 HB3 ASP A 21 -21.180 1.432 -2.387 1.00 1.08 H new ATOM 339 N THR A 22 -21.996 1.772 0.606 1.00 0.97 N ATOM 340 CA THR A 22 -21.130 1.703 1.762 1.00 0.92 C ATOM 341 C THR A 22 -19.890 0.883 1.434 1.00 0.81 C ATOM 342 O THR A 22 -19.937 -0.006 0.577 1.00 0.79 O ATOM 343 CB THR A 22 -21.869 1.085 2.962 1.00 0.96 C ATOM 344 OG1 THR A 22 -22.850 0.148 2.497 1.00 1.12 O ATOM 345 CG2 THR A 22 -22.547 2.161 3.795 1.00 1.03 C ATOM 0 H THR A 22 -22.760 1.096 0.607 1.00 0.97 H new ATOM 0 HA THR A 22 -20.830 2.716 2.029 1.00 0.92 H new ATOM 0 HB THR A 22 -21.138 0.572 3.587 1.00 0.96 H new ATOM 0 HG1 THR A 22 -23.105 -0.450 3.230 1.00 1.12 H new ATOM 0 HG21 THR A 22 -23.062 1.699 4.637 1.00 1.03 H new ATOM 0 HG22 THR A 22 -21.797 2.859 4.167 1.00 1.03 H new ATOM 0 HG23 THR A 22 -23.268 2.698 3.179 1.00 1.03 H new ATOM 353 N ILE A 23 -18.787 1.180 2.115 1.00 0.76 N ATOM 354 CA ILE A 23 -17.525 0.478 1.888 1.00 0.66 C ATOM 355 C ILE A 23 -17.689 -1.034 2.058 1.00 0.64 C ATOM 356 O ILE A 23 -17.003 -1.816 1.398 1.00 0.58 O ATOM 357 CB ILE A 23 -16.411 0.995 2.828 1.00 0.63 C ATOM 358 CG1 ILE A 23 -16.284 2.520 2.721 1.00 0.66 C ATOM 359 CG2 ILE A 23 -15.079 0.330 2.504 1.00 0.57 C ATOM 360 CD1 ILE A 23 -15.878 3.013 1.346 1.00 0.66 C ATOM 0 H ILE A 23 -18.741 1.905 2.831 1.00 0.76 H new ATOM 0 HA ILE A 23 -17.230 0.682 0.859 1.00 0.66 H new ATOM 0 HB ILE A 23 -16.683 0.738 3.852 1.00 0.63 H new ATOM 0 HG12 ILE A 23 -17.238 2.973 2.990 1.00 0.66 H new ATOM 0 HG13 ILE A 23 -15.550 2.865 3.450 1.00 0.66 H new ATOM 0 HG21 ILE A 23 -14.310 0.709 3.177 1.00 0.57 H new ATOM 0 HG22 ILE A 23 -15.171 -0.749 2.629 1.00 0.57 H new ATOM 0 HG23 ILE A 23 -14.802 0.554 1.474 1.00 0.57 H new ATOM 0 HD11 ILE A 23 -15.811 4.101 1.355 1.00 0.66 H new ATOM 0 HD12 ILE A 23 -14.909 2.592 1.080 1.00 0.66 H new ATOM 0 HD13 ILE A 23 -16.622 2.702 0.613 1.00 0.66 H new ATOM 372 N GLU A 24 -18.614 -1.444 2.920 1.00 0.72 N ATOM 373 CA GLU A 24 -18.856 -2.865 3.148 1.00 0.74 C ATOM 374 C GLU A 24 -19.357 -3.543 1.872 1.00 0.74 C ATOM 375 O GLU A 24 -18.953 -4.662 1.558 1.00 0.74 O ATOM 376 CB GLU A 24 -19.858 -3.069 4.283 1.00 0.85 C ATOM 377 CG GLU A 24 -20.929 -1.996 4.353 1.00 0.98 C ATOM 378 CD GLU A 24 -22.309 -2.563 4.588 1.00 1.04 C ATOM 379 OE1 GLU A 24 -22.420 -3.651 5.190 1.00 1.16 O ATOM 380 OE2 GLU A 24 -23.294 -1.923 4.168 1.00 1.71 O ATOM 0 H GLU A 24 -19.204 -0.819 3.468 1.00 0.72 H new ATOM 0 HA GLU A 24 -17.910 -3.324 3.435 1.00 0.74 H new ATOM 0 HB2 GLU A 24 -20.337 -4.041 4.162 1.00 0.85 H new ATOM 0 HB3 GLU A 24 -19.320 -3.095 5.230 1.00 0.85 H new ATOM 0 HG2 GLU A 24 -20.686 -1.298 5.154 1.00 0.98 H new ATOM 0 HG3 GLU A 24 -20.928 -1.427 3.423 1.00 0.98 H new ATOM 387 N ASN A 25 -20.218 -2.853 1.124 1.00 0.79 N ATOM 388 CA ASN A 25 -20.755 -3.408 -0.118 1.00 0.82 C ATOM 389 C ASN A 25 -19.664 -3.436 -1.178 1.00 0.74 C ATOM 390 O ASN A 25 -19.599 -4.351 -2.000 1.00 0.75 O ATOM 391 CB ASN A 25 -21.955 -2.605 -0.629 1.00 0.92 C ATOM 392 CG ASN A 25 -22.596 -3.247 -1.848 1.00 1.03 C ATOM 393 OD1 ASN A 25 -22.613 -4.470 -1.990 1.00 1.08 O ATOM 394 ND2 ASN A 25 -23.134 -2.430 -2.733 1.00 1.11 N ATOM 0 H ASN A 25 -20.556 -1.918 1.353 1.00 0.79 H new ATOM 0 HA ASN A 25 -21.099 -4.421 0.089 1.00 0.82 H new ATOM 0 HB2 ASN A 25 -22.696 -2.517 0.165 1.00 0.92 H new ATOM 0 HB3 ASN A 25 -21.634 -1.594 -0.879 1.00 0.92 H new ATOM 0 HD21 ASN A 25 -23.583 -2.807 -3.568 1.00 1.11 H new ATOM 0 HD22 ASN A 25 -23.101 -1.422 -2.582 1.00 1.11 H new ATOM 401 N VAL A 26 -18.803 -2.421 -1.150 1.00 0.69 N ATOM 402 CA VAL A 26 -17.690 -2.340 -2.084 1.00 0.63 C ATOM 403 C VAL A 26 -16.789 -3.551 -1.888 1.00 0.57 C ATOM 404 O VAL A 26 -16.370 -4.199 -2.848 1.00 0.57 O ATOM 405 CB VAL A 26 -16.865 -1.048 -1.889 1.00 0.60 C ATOM 406 CG1 VAL A 26 -15.814 -0.912 -2.982 1.00 0.58 C ATOM 407 CG2 VAL A 26 -17.775 0.170 -1.867 1.00 0.69 C ATOM 0 H VAL A 26 -18.857 -1.645 -0.490 1.00 0.69 H new ATOM 0 HA VAL A 26 -18.097 -2.323 -3.095 1.00 0.63 H new ATOM 0 HB VAL A 26 -16.353 -1.111 -0.929 1.00 0.60 H new ATOM 0 HG11 VAL A 26 -15.244 0.004 -2.827 1.00 0.58 H new ATOM 0 HG12 VAL A 26 -15.141 -1.769 -2.948 1.00 0.58 H new ATOM 0 HG13 VAL A 26 -16.304 -0.874 -3.955 1.00 0.58 H new ATOM 0 HG21 VAL A 26 -17.175 1.070 -1.729 1.00 0.69 H new ATOM 0 HG22 VAL A 26 -18.317 0.236 -2.810 1.00 0.69 H new ATOM 0 HG23 VAL A 26 -18.486 0.078 -1.046 1.00 0.69 H new ATOM 417 N LYS A 27 -16.528 -3.864 -0.620 1.00 0.55 N ATOM 418 CA LYS A 27 -15.706 -5.009 -0.262 1.00 0.53 C ATOM 419 C LYS A 27 -16.361 -6.298 -0.743 1.00 0.57 C ATOM 420 O LYS A 27 -15.685 -7.213 -1.215 1.00 0.57 O ATOM 421 CB LYS A 27 -15.511 -5.084 1.256 1.00 0.56 C ATOM 422 CG LYS A 27 -14.598 -4.012 1.834 1.00 0.57 C ATOM 423 CD LYS A 27 -14.353 -4.247 3.316 1.00 0.60 C ATOM 424 CE LYS A 27 -13.149 -3.469 3.825 1.00 0.89 C ATOM 425 NZ LYS A 27 -12.605 -4.066 5.075 1.00 1.00 N ATOM 0 H LYS A 27 -16.878 -3.334 0.178 1.00 0.55 H new ATOM 0 HA LYS A 27 -14.735 -4.889 -0.742 1.00 0.53 H new ATOM 0 HB2 LYS A 27 -16.486 -5.010 1.738 1.00 0.56 H new ATOM 0 HB3 LYS A 27 -15.104 -6.063 1.508 1.00 0.56 H new ATOM 0 HG2 LYS A 27 -13.648 -4.012 1.300 1.00 0.57 H new ATOM 0 HG3 LYS A 27 -15.046 -3.029 1.687 1.00 0.57 H new ATOM 0 HD2 LYS A 27 -15.238 -3.955 3.881 1.00 0.60 H new ATOM 0 HD3 LYS A 27 -14.198 -5.311 3.494 1.00 0.60 H new ATOM 0 HE2 LYS A 27 -12.373 -3.455 3.059 1.00 0.89 H new ATOM 0 HE3 LYS A 27 -13.435 -2.433 4.009 1.00 0.89 H new ATOM 0 HZ1 LYS A 27 -12.829 -3.448 5.881 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 -13.032 -5.002 5.227 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 -11.573 -4.166 4.991 1.00 1.00 H new ATOM 439 N ALA A 28 -17.685 -6.358 -0.620 1.00 0.64 N ATOM 440 CA ALA A 28 -18.448 -7.527 -1.039 1.00 0.71 C ATOM 441 C ALA A 28 -18.331 -7.748 -2.543 1.00 0.73 C ATOM 442 O ALA A 28 -18.270 -8.888 -3.004 1.00 0.78 O ATOM 443 CB ALA A 28 -19.906 -7.385 -0.635 1.00 0.77 C ATOM 0 H ALA A 28 -18.253 -5.605 -0.231 1.00 0.64 H new ATOM 0 HA ALA A 28 -18.031 -8.399 -0.536 1.00 0.71 H new ATOM 0 HB1 ALA A 28 -20.460 -8.267 -0.956 1.00 0.77 H new ATOM 0 HB2 ALA A 28 -19.975 -7.287 0.448 1.00 0.77 H new ATOM 0 HB3 ALA A 28 -20.330 -6.499 -1.107 1.00 0.77 H new ATOM 449 N LYS A 29 -18.292 -6.655 -3.300 1.00 0.72 N ATOM 450 CA LYS A 29 -18.167 -6.735 -4.753 1.00 0.76 C ATOM 451 C LYS A 29 -16.773 -7.227 -5.134 1.00 0.72 C ATOM 452 O LYS A 29 -16.600 -7.953 -6.113 1.00 0.76 O ATOM 453 CB LYS A 29 -18.461 -5.375 -5.400 1.00 0.79 C ATOM 454 CG LYS A 29 -19.882 -4.885 -5.152 1.00 1.12 C ATOM 455 CD LYS A 29 -20.219 -3.662 -5.991 1.00 1.05 C ATOM 456 CE LYS A 29 -20.606 -4.042 -7.412 1.00 1.61 C ATOM 457 NZ LYS A 29 -21.378 -2.963 -8.087 1.00 1.56 N ATOM 0 H LYS A 29 -18.345 -5.705 -2.933 1.00 0.72 H new ATOM 0 HA LYS A 29 -18.901 -7.449 -5.126 1.00 0.76 H new ATOM 0 HB2 LYS A 29 -17.757 -4.637 -5.015 1.00 0.79 H new ATOM 0 HB3 LYS A 29 -18.291 -5.447 -6.474 1.00 0.79 H new ATOM 0 HG2 LYS A 29 -20.586 -5.685 -5.379 1.00 1.12 H new ATOM 0 HG3 LYS A 29 -20.003 -4.644 -4.096 1.00 1.12 H new ATOM 0 HD2 LYS A 29 -21.039 -3.116 -5.525 1.00 1.05 H new ATOM 0 HD3 LYS A 29 -19.361 -2.990 -6.015 1.00 1.05 H new ATOM 0 HE2 LYS A 29 -19.706 -4.258 -7.987 1.00 1.61 H new ATOM 0 HE3 LYS A 29 -21.200 -4.956 -7.394 1.00 1.61 H new ATOM 0 HZ1 LYS A 29 -21.794 -3.332 -8.966 1.00 1.56 H new ATOM 0 HZ2 LYS A 29 -22.136 -2.632 -7.457 1.00 1.56 H new ATOM 0 HZ3 LYS A 29 -20.743 -2.170 -8.311 1.00 1.56 H new ATOM 471 N ILE A 30 -15.780 -6.845 -4.342 1.00 0.67 N ATOM 472 CA ILE A 30 -14.409 -7.275 -4.580 1.00 0.63 C ATOM 473 C ILE A 30 -14.280 -8.754 -4.214 1.00 0.64 C ATOM 474 O ILE A 30 -13.523 -9.509 -4.834 1.00 0.66 O ATOM 475 CB ILE A 30 -13.403 -6.410 -3.781 1.00 0.59 C ATOM 476 CG1 ILE A 30 -13.484 -4.953 -4.260 1.00 0.65 C ATOM 477 CG2 ILE A 30 -11.985 -6.949 -3.928 1.00 0.56 C ATOM 478 CD1 ILE A 30 -12.572 -4.006 -3.516 1.00 0.68 C ATOM 0 H ILE A 30 -15.898 -6.239 -3.530 1.00 0.67 H new ATOM 0 HA ILE A 30 -14.171 -7.145 -5.636 1.00 0.63 H new ATOM 0 HB ILE A 30 -13.664 -6.452 -2.724 1.00 0.59 H new ATOM 0 HG12 ILE A 30 -13.239 -4.917 -5.322 1.00 0.65 H new ATOM 0 HG13 ILE A 30 -14.512 -4.605 -4.158 1.00 0.65 H new ATOM 0 HG21 ILE A 30 -11.297 -6.324 -3.358 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -11.944 -7.971 -3.552 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -11.699 -6.937 -4.980 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -12.690 -2.999 -3.915 1.00 0.68 H new ATOM 0 HD12 ILE A 30 -12.830 -4.009 -2.457 1.00 0.68 H new ATOM 0 HD13 ILE A 30 -11.537 -4.326 -3.638 1.00 0.68 H new ATOM 490 N GLN A 31 -15.064 -9.166 -3.224 1.00 0.64 N ATOM 491 CA GLN A 31 -15.094 -10.555 -2.780 1.00 0.67 C ATOM 492 C GLN A 31 -15.834 -11.396 -3.817 1.00 0.74 C ATOM 493 O GLN A 31 -15.713 -12.621 -3.861 1.00 0.83 O ATOM 494 CB GLN A 31 -15.797 -10.662 -1.422 1.00 0.69 C ATOM 495 CG GLN A 31 -15.720 -12.042 -0.784 1.00 0.77 C ATOM 496 CD GLN A 31 -17.018 -12.425 -0.099 1.00 0.88 C ATOM 497 OE1 GLN A 31 -17.799 -11.561 0.297 1.00 0.90 O ATOM 498 NE2 GLN A 31 -17.262 -13.716 0.041 1.00 1.10 N ATOM 0 H GLN A 31 -15.694 -8.551 -2.709 1.00 0.64 H new ATOM 0 HA GLN A 31 -14.073 -10.922 -2.672 1.00 0.67 H new ATOM 0 HB2 GLN A 31 -15.357 -9.934 -0.740 1.00 0.69 H new ATOM 0 HB3 GLN A 31 -16.845 -10.390 -1.546 1.00 0.69 H new ATOM 0 HG2 GLN A 31 -15.481 -12.782 -1.548 1.00 0.77 H new ATOM 0 HG3 GLN A 31 -14.908 -12.061 -0.058 1.00 0.77 H new ATOM 0 HE21 GLN A 31 -16.589 -14.402 -0.301 1.00 1.10 H new ATOM 0 HE22 GLN A 31 -18.123 -14.026 0.491 1.00 1.10 H new ATOM 507 N ASP A 32 -16.605 -10.712 -4.647 1.00 0.76 N ATOM 508 CA ASP A 32 -17.372 -11.349 -5.708 1.00 0.87 C ATOM 509 C ASP A 32 -16.507 -11.511 -6.953 1.00 0.88 C ATOM 510 O ASP A 32 -16.524 -12.554 -7.609 1.00 0.97 O ATOM 511 CB ASP A 32 -18.617 -10.507 -6.019 1.00 0.95 C ATOM 512 CG ASP A 32 -19.280 -10.877 -7.331 1.00 1.15 C ATOM 513 OD1 ASP A 32 -19.983 -11.909 -7.379 1.00 1.45 O ATOM 514 OD2 ASP A 32 -19.128 -10.119 -8.311 1.00 1.37 O ATOM 0 H ASP A 32 -16.717 -9.699 -4.605 1.00 0.76 H new ATOM 0 HA ASP A 32 -17.690 -12.339 -5.381 1.00 0.87 H new ATOM 0 HB2 ASP A 32 -19.338 -10.625 -5.210 1.00 0.95 H new ATOM 0 HB3 ASP A 32 -18.337 -9.454 -6.046 1.00 0.95 H new ATOM 519 N LYS A 33 -15.727 -10.482 -7.250 1.00 0.82 N ATOM 520 CA LYS A 33 -14.852 -10.495 -8.411 1.00 0.87 C ATOM 521 C LYS A 33 -13.579 -11.298 -8.146 1.00 0.84 C ATOM 522 O LYS A 33 -13.406 -12.393 -8.684 1.00 0.92 O ATOM 523 CB LYS A 33 -14.481 -9.070 -8.817 1.00 0.85 C ATOM 524 CG LYS A 33 -15.649 -8.248 -9.336 1.00 1.06 C ATOM 525 CD LYS A 33 -15.180 -6.908 -9.870 1.00 1.25 C ATOM 526 CE LYS A 33 -16.307 -6.152 -10.547 1.00 1.51 C ATOM 527 NZ LYS A 33 -15.791 -5.082 -11.437 1.00 1.50 N ATOM 0 H LYS A 33 -15.683 -9.624 -6.700 1.00 0.82 H new ATOM 0 HA LYS A 33 -15.398 -10.974 -9.224 1.00 0.87 H new ATOM 0 HB2 LYS A 33 -14.046 -8.561 -7.957 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -13.710 -9.112 -9.586 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -16.162 -8.798 -10.125 1.00 1.06 H new ATOM 0 HG3 LYS A 33 -16.371 -8.091 -8.535 1.00 1.06 H new ATOM 0 HD2 LYS A 33 -14.780 -6.309 -9.052 1.00 1.25 H new ATOM 0 HD3 LYS A 33 -14.367 -7.063 -10.579 1.00 1.25 H new ATOM 0 HE2 LYS A 33 -16.915 -6.847 -11.127 1.00 1.51 H new ATOM 0 HE3 LYS A 33 -16.958 -5.714 -9.790 1.00 1.51 H new ATOM 0 HZ1 LYS A 33 -16.095 -4.155 -11.077 1.00 1.50 H new ATOM 0 HZ2 LYS A 33 -14.752 -5.121 -11.460 1.00 1.50 H new ATOM 0 HZ3 LYS A 33 -16.164 -5.220 -12.398 1.00 1.50 H new ATOM 541 N GLU A 34 -12.693 -10.757 -7.315 1.00 0.80 N ATOM 542 CA GLU A 34 -11.434 -11.426 -7.004 1.00 0.81 C ATOM 543 C GLU A 34 -11.629 -12.525 -5.967 1.00 0.83 C ATOM 544 O GLU A 34 -10.965 -13.559 -6.015 1.00 1.03 O ATOM 545 CB GLU A 34 -10.401 -10.419 -6.502 1.00 0.76 C ATOM 546 CG GLU A 34 -9.377 -10.023 -7.553 1.00 0.83 C ATOM 547 CD GLU A 34 -8.645 -11.217 -8.133 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.779 -11.784 -7.439 1.00 1.47 O ATOM 549 OE2 GLU A 34 -8.938 -11.597 -9.287 1.00 1.33 O ATOM 0 H GLU A 34 -12.823 -9.860 -6.846 1.00 0.80 H new ATOM 0 HA GLU A 34 -11.071 -11.884 -7.924 1.00 0.81 H new ATOM 0 HB2 GLU A 34 -10.917 -9.524 -6.154 1.00 0.76 H new ATOM 0 HB3 GLU A 34 -9.882 -10.842 -5.642 1.00 0.76 H new ATOM 0 HG2 GLU A 34 -9.877 -9.483 -8.357 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -8.654 -9.338 -7.110 1.00 0.83 H new ATOM 556 N GLY A 35 -12.532 -12.295 -5.028 1.00 0.73 N ATOM 557 CA GLY A 35 -12.795 -13.283 -3.998 1.00 0.76 C ATOM 558 C GLY A 35 -12.084 -12.970 -2.699 1.00 0.75 C ATOM 559 O GLY A 35 -11.930 -13.841 -1.841 1.00 0.93 O ATOM 0 H GLY A 35 -13.089 -11.443 -4.958 1.00 0.73 H new ATOM 0 HA2 GLY A 35 -13.868 -13.337 -3.817 1.00 0.76 H new ATOM 0 HA3 GLY A 35 -12.482 -14.265 -4.353 1.00 0.76 H new ATOM 563 N ILE A 36 -11.651 -11.726 -2.551 1.00 0.64 N ATOM 564 CA ILE A 36 -10.945 -11.301 -1.349 1.00 0.63 C ATOM 565 C ILE A 36 -11.936 -11.023 -0.222 1.00 0.62 C ATOM 566 O ILE A 36 -12.816 -10.175 -0.362 1.00 0.62 O ATOM 567 CB ILE A 36 -10.086 -10.042 -1.613 1.00 0.63 C ATOM 568 CG1 ILE A 36 -9.152 -10.283 -2.803 1.00 0.70 C ATOM 569 CG2 ILE A 36 -9.282 -9.667 -0.373 1.00 0.68 C ATOM 570 CD1 ILE A 36 -8.435 -9.036 -3.284 1.00 0.76 C ATOM 0 H ILE A 36 -11.776 -10.992 -3.248 1.00 0.64 H new ATOM 0 HA ILE A 36 -10.279 -12.112 -1.053 1.00 0.63 H new ATOM 0 HB ILE A 36 -10.752 -9.212 -1.850 1.00 0.63 H new ATOM 0 HG12 ILE A 36 -8.411 -11.032 -2.525 1.00 0.70 H new ATOM 0 HG13 ILE A 36 -9.731 -10.699 -3.628 1.00 0.70 H new ATOM 0 HG21 ILE A 36 -8.685 -8.779 -0.581 1.00 0.68 H new ATOM 0 HG22 ILE A 36 -9.962 -9.461 0.453 1.00 0.68 H new ATOM 0 HG23 ILE A 36 -8.623 -10.492 -0.104 1.00 0.68 H new ATOM 0 HD11 ILE A 36 -7.793 -9.288 -4.128 1.00 0.76 H new ATOM 0 HD12 ILE A 36 -9.168 -8.292 -3.595 1.00 0.76 H new ATOM 0 HD13 ILE A 36 -7.828 -8.630 -2.475 1.00 0.76 H new ATOM 582 N PRO A 37 -11.803 -11.745 0.904 1.00 0.68 N ATOM 583 CA PRO A 37 -12.695 -11.596 2.059 1.00 0.72 C ATOM 584 C PRO A 37 -12.711 -10.167 2.603 1.00 0.66 C ATOM 585 O PRO A 37 -11.657 -9.566 2.812 1.00 0.64 O ATOM 586 CB PRO A 37 -12.110 -12.561 3.099 1.00 0.86 C ATOM 587 CG PRO A 37 -10.723 -12.844 2.641 1.00 0.91 C ATOM 588 CD PRO A 37 -10.759 -12.754 1.148 1.00 0.75 C ATOM 0 HA PRO A 37 -13.731 -11.812 1.798 1.00 0.72 H new ATOM 0 HB2 PRO A 37 -12.112 -12.115 4.093 1.00 0.86 H new ATOM 0 HB3 PRO A 37 -12.698 -13.477 3.160 1.00 0.86 H new ATOM 0 HG2 PRO A 37 -10.019 -12.124 3.059 1.00 0.91 H new ATOM 0 HG3 PRO A 37 -10.398 -13.833 2.965 1.00 0.91 H new ATOM 0 HD2 PRO A 37 -9.797 -12.447 0.739 1.00 0.75 H new ATOM 0 HD3 PRO A 37 -11.008 -13.712 0.691 1.00 0.75 H new ATOM 596 N PRO A 38 -13.909 -9.613 2.857 1.00 0.68 N ATOM 597 CA PRO A 38 -14.067 -8.242 3.368 1.00 0.65 C ATOM 598 C PRO A 38 -13.448 -8.050 4.754 1.00 0.65 C ATOM 599 O PRO A 38 -13.179 -6.920 5.177 1.00 0.70 O ATOM 600 CB PRO A 38 -15.591 -8.055 3.431 1.00 0.71 C ATOM 601 CG PRO A 38 -16.147 -9.435 3.478 1.00 0.79 C ATOM 602 CD PRO A 38 -15.207 -10.284 2.672 1.00 0.78 C ATOM 0 HA PRO A 38 -13.559 -7.517 2.733 1.00 0.65 H new ATOM 0 HB2 PRO A 38 -15.882 -7.482 4.311 1.00 0.71 H new ATOM 0 HB3 PRO A 38 -15.958 -7.511 2.561 1.00 0.71 H new ATOM 0 HG2 PRO A 38 -16.215 -9.794 4.505 1.00 0.79 H new ATOM 0 HG3 PRO A 38 -17.154 -9.465 3.063 1.00 0.79 H new ATOM 0 HD2 PRO A 38 -15.184 -11.313 3.032 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -15.496 -10.320 1.622 1.00 0.78 H new ATOM 610 N ASP A 39 -13.213 -9.158 5.443 1.00 0.68 N ATOM 611 CA ASP A 39 -12.636 -9.134 6.782 1.00 0.74 C ATOM 612 C ASP A 39 -11.130 -8.874 6.741 1.00 0.82 C ATOM 613 O ASP A 39 -10.628 -7.986 7.430 1.00 0.99 O ATOM 614 CB ASP A 39 -12.921 -10.455 7.506 1.00 0.80 C ATOM 615 CG ASP A 39 -12.653 -11.673 6.641 1.00 1.51 C ATOM 616 OD1 ASP A 39 -13.556 -12.072 5.875 1.00 1.85 O ATOM 617 OD2 ASP A 39 -11.543 -12.230 6.714 1.00 2.52 O ATOM 0 H ASP A 39 -13.415 -10.094 5.093 1.00 0.68 H new ATOM 0 HA ASP A 39 -13.103 -8.315 7.329 1.00 0.74 H new ATOM 0 HB2 ASP A 39 -12.306 -10.511 8.404 1.00 0.80 H new ATOM 0 HB3 ASP A 39 -13.961 -10.468 7.831 1.00 0.80 H new ATOM 622 N GLN A 40 -10.416 -9.643 5.928 1.00 0.87 N ATOM 623 CA GLN A 40 -8.968 -9.499 5.809 1.00 1.00 C ATOM 624 C GLN A 40 -8.597 -8.365 4.863 1.00 0.98 C ATOM 625 O GLN A 40 -7.493 -7.825 4.929 1.00 1.24 O ATOM 626 CB GLN A 40 -8.349 -10.810 5.329 1.00 1.14 C ATOM 627 CG GLN A 40 -8.320 -11.881 6.404 1.00 1.29 C ATOM 628 CD GLN A 40 -8.379 -13.281 5.838 1.00 1.35 C ATOM 629 OE1 GLN A 40 -7.354 -13.871 5.500 1.00 1.73 O ATOM 630 NE2 GLN A 40 -9.579 -13.830 5.753 1.00 1.64 N ATOM 0 H GLN A 40 -10.816 -10.374 5.340 1.00 0.87 H new ATOM 0 HA GLN A 40 -8.572 -9.254 6.795 1.00 1.00 H new ATOM 0 HB2 GLN A 40 -8.912 -11.179 4.472 1.00 1.14 H new ATOM 0 HB3 GLN A 40 -7.332 -10.621 4.985 1.00 1.14 H new ATOM 0 HG2 GLN A 40 -7.411 -11.771 6.995 1.00 1.29 H new ATOM 0 HG3 GLN A 40 -9.161 -11.732 7.081 1.00 1.29 H new ATOM 0 HE21 GLN A 40 -10.402 -13.304 6.045 1.00 1.64 H new ATOM 0 HE22 GLN A 40 -9.681 -14.780 5.396 1.00 1.64 H new ATOM 639 N GLN A 41 -9.519 -8.019 3.977 1.00 0.78 N ATOM 640 CA GLN A 41 -9.298 -6.944 3.021 1.00 0.81 C ATOM 641 C GLN A 41 -9.264 -5.591 3.734 1.00 0.67 C ATOM 642 O GLN A 41 -10.259 -5.149 4.319 1.00 0.78 O ATOM 643 CB GLN A 41 -10.388 -6.986 1.938 1.00 0.89 C ATOM 644 CG GLN A 41 -10.789 -5.632 1.378 1.00 0.95 C ATOM 645 CD GLN A 41 -11.805 -5.736 0.256 1.00 0.83 C ATOM 646 OE1 GLN A 41 -11.926 -4.833 -0.562 1.00 1.44 O ATOM 647 NE2 GLN A 41 -12.537 -6.842 0.204 1.00 0.79 N ATOM 0 H GLN A 41 -10.431 -8.469 3.900 1.00 0.78 H new ATOM 0 HA GLN A 41 -8.330 -7.081 2.538 1.00 0.81 H new ATOM 0 HB2 GLN A 41 -10.040 -7.613 1.117 1.00 0.89 H new ATOM 0 HB3 GLN A 41 -11.273 -7.467 2.353 1.00 0.89 H new ATOM 0 HG2 GLN A 41 -11.202 -5.020 2.180 1.00 0.95 H new ATOM 0 HG3 GLN A 41 -9.900 -5.118 1.011 1.00 0.95 H new ATOM 0 HE21 GLN A 41 -12.407 -7.573 0.904 1.00 0.79 H new ATOM 0 HE22 GLN A 41 -13.229 -6.961 -0.536 1.00 0.79 H new ATOM 656 N ARG A 42 -8.107 -4.951 3.704 1.00 0.56 N ATOM 657 CA ARG A 42 -7.929 -3.658 4.341 1.00 0.56 C ATOM 658 C ARG A 42 -7.758 -2.564 3.288 1.00 0.50 C ATOM 659 O ARG A 42 -6.808 -2.581 2.506 1.00 0.52 O ATOM 660 CB ARG A 42 -6.719 -3.702 5.282 1.00 0.77 C ATOM 661 CG ARG A 42 -6.324 -2.349 5.856 1.00 0.95 C ATOM 662 CD ARG A 42 -5.121 -2.470 6.779 1.00 1.24 C ATOM 663 NE ARG A 42 -5.492 -2.973 8.101 1.00 1.62 N ATOM 664 CZ ARG A 42 -4.695 -3.713 8.873 1.00 2.19 C ATOM 665 NH1 ARG A 42 -3.490 -4.085 8.449 1.00 2.48 N ATOM 666 NH2 ARG A 42 -5.117 -4.097 10.072 1.00 2.87 N ATOM 0 H ARG A 42 -7.272 -5.310 3.242 1.00 0.56 H new ATOM 0 HA ARG A 42 -8.818 -3.426 4.928 1.00 0.56 H new ATOM 0 HB2 ARG A 42 -6.937 -4.383 6.105 1.00 0.77 H new ATOM 0 HB3 ARG A 42 -5.868 -4.117 4.742 1.00 0.77 H new ATOM 0 HG2 ARG A 42 -6.094 -1.660 5.043 1.00 0.95 H new ATOM 0 HG3 ARG A 42 -7.165 -1.925 6.405 1.00 0.95 H new ATOM 0 HD2 ARG A 42 -4.386 -3.138 6.330 1.00 1.24 H new ATOM 0 HD3 ARG A 42 -4.644 -1.495 6.883 1.00 1.24 H new ATOM 0 HE ARG A 42 -6.420 -2.743 8.456 1.00 1.62 H new ATOM 0 HH11 ARG A 42 -3.166 -3.804 7.524 1.00 2.48 H new ATOM 0 HH12 ARG A 42 -2.890 -4.651 9.049 1.00 2.48 H new ATOM 0 HH21 ARG A 42 -6.045 -3.826 10.397 1.00 2.87 H new ATOM 0 HH22 ARG A 42 -4.513 -4.663 10.668 1.00 2.87 H new ATOM 680 N LEU A 43 -8.694 -1.624 3.268 1.00 0.50 N ATOM 681 CA LEU A 43 -8.656 -0.520 2.317 1.00 0.46 C ATOM 682 C LEU A 43 -8.183 0.756 2.998 1.00 0.49 C ATOM 683 O LEU A 43 -8.815 1.239 3.938 1.00 0.51 O ATOM 684 CB LEU A 43 -10.042 -0.299 1.702 1.00 0.43 C ATOM 685 CG LEU A 43 -10.503 -1.383 0.727 1.00 0.45 C ATOM 686 CD1 LEU A 43 -11.998 -1.261 0.470 1.00 0.46 C ATOM 687 CD2 LEU A 43 -9.727 -1.288 -0.580 1.00 0.50 C ATOM 0 H LEU A 43 -9.492 -1.604 3.903 1.00 0.50 H new ATOM 0 HA LEU A 43 -7.953 -0.776 1.524 1.00 0.46 H new ATOM 0 HB2 LEU A 43 -10.772 -0.224 2.508 1.00 0.43 H new ATOM 0 HB3 LEU A 43 -10.042 0.659 1.182 1.00 0.43 H new ATOM 0 HG LEU A 43 -10.307 -2.358 1.173 1.00 0.45 H new ATOM 0 HD11 LEU A 43 -12.312 -2.039 -0.226 1.00 0.46 H new ATOM 0 HD12 LEU A 43 -12.539 -1.374 1.409 1.00 0.46 H new ATOM 0 HD13 LEU A 43 -12.215 -0.282 0.042 1.00 0.46 H new ATOM 0 HD21 LEU A 43 -10.067 -2.067 -1.263 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -9.894 -0.310 -1.032 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -8.663 -1.419 -0.382 1.00 0.50 H new ATOM 699 N ILE A 44 -7.065 1.287 2.530 1.00 0.52 N ATOM 700 CA ILE A 44 -6.504 2.510 3.086 1.00 0.57 C ATOM 701 C ILE A 44 -6.548 3.633 2.056 1.00 0.53 C ATOM 702 O ILE A 44 -6.138 3.451 0.908 1.00 0.52 O ATOM 703 CB ILE A 44 -5.047 2.307 3.559 1.00 0.65 C ATOM 704 CG1 ILE A 44 -4.965 1.137 4.544 1.00 0.78 C ATOM 705 CG2 ILE A 44 -4.506 3.584 4.197 1.00 0.73 C ATOM 706 CD1 ILE A 44 -3.548 0.766 4.922 1.00 0.92 C ATOM 0 H ILE A 44 -6.525 0.888 1.762 1.00 0.52 H new ATOM 0 HA ILE A 44 -7.112 2.780 3.950 1.00 0.57 H new ATOM 0 HB ILE A 44 -4.432 2.072 2.691 1.00 0.65 H new ATOM 0 HG12 ILE A 44 -5.519 1.393 5.447 1.00 0.78 H new ATOM 0 HG13 ILE A 44 -5.455 0.268 4.105 1.00 0.78 H new ATOM 0 HG21 ILE A 44 -3.479 3.421 4.524 1.00 0.73 H new ATOM 0 HG22 ILE A 44 -4.531 4.394 3.468 1.00 0.73 H new ATOM 0 HG23 ILE A 44 -5.122 3.851 5.056 1.00 0.73 H new ATOM 0 HD11 ILE A 44 -3.565 -0.069 5.622 1.00 0.92 H new ATOM 0 HD12 ILE A 44 -2.996 0.479 4.027 1.00 0.92 H new ATOM 0 HD13 ILE A 44 -3.060 1.621 5.390 1.00 0.92 H new ATOM 718 N PHE A 45 -7.061 4.782 2.464 1.00 0.55 N ATOM 719 CA PHE A 45 -7.156 5.936 1.587 1.00 0.57 C ATOM 720 C PHE A 45 -6.785 7.205 2.347 1.00 0.61 C ATOM 721 O PHE A 45 -7.336 7.477 3.414 1.00 0.67 O ATOM 722 CB PHE A 45 -8.573 6.055 1.011 1.00 0.61 C ATOM 723 CG PHE A 45 -8.740 7.187 0.036 1.00 0.68 C ATOM 724 CD1 PHE A 45 -7.974 7.250 -1.119 1.00 0.76 C ATOM 725 CD2 PHE A 45 -9.663 8.191 0.278 1.00 0.83 C ATOM 726 CE1 PHE A 45 -8.128 8.291 -2.014 1.00 0.87 C ATOM 727 CE2 PHE A 45 -9.821 9.236 -0.613 1.00 0.93 C ATOM 728 CZ PHE A 45 -9.052 9.288 -1.761 1.00 0.90 C ATOM 0 H PHE A 45 -7.421 4.940 3.405 1.00 0.55 H new ATOM 0 HA PHE A 45 -6.457 5.805 0.761 1.00 0.57 H new ATOM 0 HB2 PHE A 45 -8.833 5.120 0.515 1.00 0.61 H new ATOM 0 HB3 PHE A 45 -9.278 6.188 1.831 1.00 0.61 H new ATOM 0 HD1 PHE A 45 -7.249 6.476 -1.321 1.00 0.76 H new ATOM 0 HD2 PHE A 45 -10.266 8.157 1.173 1.00 0.83 H new ATOM 0 HE1 PHE A 45 -7.527 8.326 -2.911 1.00 0.87 H new ATOM 0 HE2 PHE A 45 -10.545 10.012 -0.412 1.00 0.93 H new ATOM 0 HZ PHE A 45 -9.173 10.104 -2.458 1.00 0.90 H new ATOM 738 N ALA A 46 -5.821 7.953 1.804 1.00 0.68 N ATOM 739 CA ALA A 46 -5.357 9.207 2.406 1.00 0.81 C ATOM 740 C ALA A 46 -4.747 8.984 3.792 1.00 0.80 C ATOM 741 O ALA A 46 -4.635 9.915 4.589 1.00 1.25 O ATOM 742 CB ALA A 46 -6.493 10.217 2.477 1.00 0.91 C ATOM 0 H ALA A 46 -5.341 7.708 0.938 1.00 0.68 H new ATOM 0 HA ALA A 46 -4.571 9.606 1.765 1.00 0.81 H new ATOM 0 HB1 ALA A 46 -6.130 11.141 2.926 1.00 0.91 H new ATOM 0 HB2 ALA A 46 -6.861 10.422 1.472 1.00 0.91 H new ATOM 0 HB3 ALA A 46 -7.303 9.812 3.084 1.00 0.91 H new ATOM 748 N GLY A 47 -4.353 7.747 4.072 1.00 0.91 N ATOM 749 CA GLY A 47 -3.752 7.428 5.355 1.00 0.94 C ATOM 750 C GLY A 47 -4.765 6.925 6.364 1.00 0.96 C ATOM 751 O GLY A 47 -4.412 6.589 7.494 1.00 1.23 O ATOM 0 H GLY A 47 -4.439 6.957 3.432 1.00 0.91 H new ATOM 0 HA2 GLY A 47 -2.980 6.672 5.213 1.00 0.94 H new ATOM 0 HA3 GLY A 47 -3.259 8.315 5.752 1.00 0.94 H new ATOM 755 N LYS A 48 -6.021 6.870 5.958 1.00 0.77 N ATOM 756 CA LYS A 48 -7.084 6.410 6.834 1.00 0.83 C ATOM 757 C LYS A 48 -7.737 5.161 6.261 1.00 0.71 C ATOM 758 O LYS A 48 -7.949 5.066 5.052 1.00 0.65 O ATOM 759 CB LYS A 48 -8.137 7.507 7.010 1.00 0.96 C ATOM 760 CG LYS A 48 -9.232 7.148 7.999 1.00 1.43 C ATOM 761 CD LYS A 48 -9.069 7.906 9.301 1.00 1.89 C ATOM 762 CE LYS A 48 -9.721 9.279 9.227 1.00 2.45 C ATOM 763 NZ LYS A 48 -9.484 10.070 10.459 1.00 3.10 N ATOM 0 H LYS A 48 -6.331 7.139 5.024 1.00 0.77 H new ATOM 0 HA LYS A 48 -6.651 6.171 7.806 1.00 0.83 H new ATOM 0 HB2 LYS A 48 -7.645 8.421 7.342 1.00 0.96 H new ATOM 0 HB3 LYS A 48 -8.590 7.722 6.042 1.00 0.96 H new ATOM 0 HG2 LYS A 48 -10.206 7.373 7.564 1.00 1.43 H new ATOM 0 HG3 LYS A 48 -9.211 6.076 8.195 1.00 1.43 H new ATOM 0 HD2 LYS A 48 -9.513 7.334 10.115 1.00 1.89 H new ATOM 0 HD3 LYS A 48 -8.009 8.016 9.530 1.00 1.89 H new ATOM 0 HE2 LYS A 48 -9.329 9.821 8.366 1.00 2.45 H new ATOM 0 HE3 LYS A 48 -10.793 9.164 9.070 1.00 2.45 H new ATOM 0 HZ1 LYS A 48 -9.944 10.998 10.369 1.00 3.10 H new ATOM 0 HZ2 LYS A 48 -9.880 9.565 11.277 1.00 3.10 H new ATOM 0 HZ3 LYS A 48 -8.461 10.202 10.595 1.00 3.10 H new ATOM 777 N GLN A 49 -8.034 4.197 7.119 1.00 0.76 N ATOM 778 CA GLN A 49 -8.682 2.979 6.672 1.00 0.69 C ATOM 779 C GLN A 49 -10.174 3.232 6.483 1.00 0.66 C ATOM 780 O GLN A 49 -10.798 3.961 7.262 1.00 0.79 O ATOM 781 CB GLN A 49 -8.443 1.826 7.656 1.00 0.81 C ATOM 782 CG GLN A 49 -9.157 1.982 8.989 1.00 1.02 C ATOM 783 CD GLN A 49 -9.507 0.647 9.620 1.00 1.26 C ATOM 784 OE1 GLN A 49 -9.724 -0.347 8.924 1.00 1.53 O ATOM 785 NE2 GLN A 49 -9.567 0.613 10.942 1.00 1.76 N ATOM 0 H GLN A 49 -7.838 4.235 8.119 1.00 0.76 H new ATOM 0 HA GLN A 49 -8.247 2.685 5.717 1.00 0.69 H new ATOM 0 HB2 GLN A 49 -8.766 0.894 7.191 1.00 0.81 H new ATOM 0 HB3 GLN A 49 -7.372 1.736 7.839 1.00 0.81 H new ATOM 0 HG2 GLN A 49 -8.524 2.549 9.672 1.00 1.02 H new ATOM 0 HG3 GLN A 49 -10.069 2.562 8.844 1.00 1.02 H new ATOM 0 HE21 GLN A 49 -9.381 1.457 11.483 1.00 1.76 H new ATOM 0 HE22 GLN A 49 -9.800 -0.258 11.420 1.00 1.76 H new ATOM 794 N LEU A 50 -10.731 2.654 5.433 1.00 0.54 N ATOM 795 CA LEU A 50 -12.144 2.822 5.131 1.00 0.55 C ATOM 796 C LEU A 50 -12.995 1.890 5.988 1.00 0.60 C ATOM 797 O LEU A 50 -12.847 0.667 5.927 1.00 0.60 O ATOM 798 CB LEU A 50 -12.402 2.554 3.647 1.00 0.50 C ATOM 799 CG LEU A 50 -11.467 3.278 2.673 1.00 0.47 C ATOM 800 CD1 LEU A 50 -11.848 2.961 1.238 1.00 0.46 C ATOM 801 CD2 LEU A 50 -11.497 4.779 2.911 1.00 0.51 C ATOM 0 H LEU A 50 -10.226 2.063 4.773 1.00 0.54 H new ATOM 0 HA LEU A 50 -12.423 3.850 5.360 1.00 0.55 H new ATOM 0 HB2 LEU A 50 -12.322 1.481 3.470 1.00 0.50 H new ATOM 0 HB3 LEU A 50 -13.429 2.839 3.417 1.00 0.50 H new ATOM 0 HG LEU A 50 -10.451 2.925 2.849 1.00 0.47 H new ATOM 0 HD11 LEU A 50 -11.174 3.483 0.559 1.00 0.46 H new ATOM 0 HD12 LEU A 50 -11.772 1.887 1.070 1.00 0.46 H new ATOM 0 HD13 LEU A 50 -12.872 3.285 1.053 1.00 0.46 H new ATOM 0 HD21 LEU A 50 -10.826 5.272 2.208 1.00 0.51 H new ATOM 0 HD22 LEU A 50 -12.511 5.150 2.765 1.00 0.51 H new ATOM 0 HD23 LEU A 50 -11.175 4.992 3.930 1.00 0.51 H new ATOM 813 N GLU A 51 -13.874 2.472 6.796 1.00 0.70 N ATOM 814 CA GLU A 51 -14.750 1.694 7.664 1.00 0.78 C ATOM 815 C GLU A 51 -15.966 1.202 6.888 1.00 0.76 C ATOM 816 O GLU A 51 -16.285 1.728 5.824 1.00 0.77 O ATOM 817 CB GLU A 51 -15.202 2.528 8.861 1.00 0.91 C ATOM 818 CG GLU A 51 -14.059 3.007 9.735 1.00 0.97 C ATOM 819 CD GLU A 51 -14.476 4.116 10.674 1.00 1.13 C ATOM 820 OE1 GLU A 51 -15.114 3.821 11.705 1.00 1.68 O ATOM 821 OE2 GLU A 51 -14.169 5.288 10.381 1.00 1.41 O ATOM 0 H GLU A 51 -13.999 3.482 6.868 1.00 0.70 H new ATOM 0 HA GLU A 51 -14.189 0.833 8.029 1.00 0.78 H new ATOM 0 HB2 GLU A 51 -15.760 3.393 8.501 1.00 0.91 H new ATOM 0 HB3 GLU A 51 -15.888 1.936 9.467 1.00 0.91 H new ATOM 0 HG2 GLU A 51 -13.674 2.169 10.316 1.00 0.97 H new ATOM 0 HG3 GLU A 51 -13.244 3.358 9.102 1.00 0.97 H new ATOM 828 N ASP A 52 -16.647 0.202 7.431 1.00 0.79 N ATOM 829 CA ASP A 52 -17.824 -0.370 6.782 1.00 0.81 C ATOM 830 C ASP A 52 -18.980 0.629 6.744 1.00 0.89 C ATOM 831 O ASP A 52 -19.624 0.802 5.707 1.00 0.95 O ATOM 832 CB ASP A 52 -18.263 -1.658 7.494 1.00 0.90 C ATOM 833 CG ASP A 52 -18.633 -1.434 8.947 1.00 1.29 C ATOM 834 OD1 ASP A 52 -17.717 -1.248 9.780 1.00 1.69 O ATOM 835 OD2 ASP A 52 -19.839 -1.433 9.262 1.00 1.74 O ATOM 0 H ASP A 52 -16.406 -0.232 8.322 1.00 0.79 H new ATOM 0 HA ASP A 52 -17.549 -0.610 5.755 1.00 0.81 H new ATOM 0 HB2 ASP A 52 -19.118 -2.084 6.969 1.00 0.90 H new ATOM 0 HB3 ASP A 52 -17.457 -2.390 7.438 1.00 0.90 H new ATOM 840 N GLY A 53 -19.228 1.299 7.866 1.00 0.95 N ATOM 841 CA GLY A 53 -20.308 2.267 7.936 1.00 1.05 C ATOM 842 C GLY A 53 -19.917 3.618 7.371 1.00 1.07 C ATOM 843 O GLY A 53 -20.071 4.647 8.031 1.00 1.28 O ATOM 0 H GLY A 53 -18.698 1.188 8.730 1.00 0.95 H new ATOM 0 HA2 GLY A 53 -21.170 1.884 7.389 1.00 1.05 H new ATOM 0 HA3 GLY A 53 -20.617 2.387 8.974 1.00 1.05 H new ATOM 847 N ARG A 54 -19.400 3.610 6.153 1.00 0.96 N ATOM 848 CA ARG A 54 -18.979 4.828 5.481 1.00 0.99 C ATOM 849 C ARG A 54 -19.341 4.750 4.006 1.00 0.95 C ATOM 850 O ARG A 54 -19.308 3.671 3.412 1.00 0.90 O ATOM 851 CB ARG A 54 -17.464 5.025 5.609 1.00 0.99 C ATOM 852 CG ARG A 54 -16.951 5.089 7.039 1.00 1.14 C ATOM 853 CD ARG A 54 -17.033 6.493 7.613 1.00 1.26 C ATOM 854 NE ARG A 54 -16.168 6.641 8.780 1.00 1.42 N ATOM 855 CZ ARG A 54 -16.093 7.739 9.524 1.00 1.73 C ATOM 856 NH1 ARG A 54 -16.825 8.806 9.233 1.00 1.94 N ATOM 857 NH2 ARG A 54 -15.272 7.765 10.564 1.00 1.92 N ATOM 0 H ARG A 54 -19.261 2.762 5.604 1.00 0.96 H new ATOM 0 HA ARG A 54 -19.488 5.670 5.950 1.00 0.99 H new ATOM 0 HB2 ARG A 54 -16.960 4.208 5.093 1.00 0.99 H new ATOM 0 HB3 ARG A 54 -17.186 5.946 5.096 1.00 0.99 H new ATOM 0 HG2 ARG A 54 -17.531 4.408 7.663 1.00 1.14 H new ATOM 0 HG3 ARG A 54 -15.917 4.746 7.068 1.00 1.14 H new ATOM 0 HD2 ARG A 54 -16.746 7.217 6.851 1.00 1.26 H new ATOM 0 HD3 ARG A 54 -18.063 6.715 7.891 1.00 1.26 H new ATOM 0 HE ARG A 54 -15.582 5.848 9.042 1.00 1.42 H new ATOM 0 HH11 ARG A 54 -17.454 8.789 8.430 1.00 1.94 H new ATOM 0 HH12 ARG A 54 -16.759 9.643 9.812 1.00 1.94 H new ATOM 0 HH21 ARG A 54 -14.705 6.947 10.787 1.00 1.92 H new ATOM 0 HH22 ARG A 54 -15.207 8.603 11.142 1.00 1.92 H new ATOM 871 N THR A 55 -19.696 5.881 3.425 1.00 0.99 N ATOM 872 CA THR A 55 -20.036 5.937 2.014 1.00 1.00 C ATOM 873 C THR A 55 -18.892 6.568 1.221 1.00 0.95 C ATOM 874 O THR A 55 -17.869 6.946 1.793 1.00 0.93 O ATOM 875 CB THR A 55 -21.333 6.739 1.778 1.00 1.11 C ATOM 876 OG1 THR A 55 -21.318 7.947 2.555 1.00 1.31 O ATOM 877 CG2 THR A 55 -22.557 5.910 2.138 1.00 1.07 C ATOM 0 H THR A 55 -19.757 6.776 3.910 1.00 0.99 H new ATOM 0 HA THR A 55 -20.198 4.915 1.671 1.00 1.00 H new ATOM 0 HB THR A 55 -21.386 6.993 0.719 1.00 1.11 H new ATOM 0 HG1 THR A 55 -22.145 8.448 2.396 1.00 1.31 H new ATOM 0 HG21 THR A 55 -23.458 6.497 1.963 1.00 1.07 H new ATOM 0 HG22 THR A 55 -22.583 5.012 1.520 1.00 1.07 H new ATOM 0 HG23 THR A 55 -22.508 5.626 3.189 1.00 1.07 H new ATOM 885 N LEU A 56 -19.058 6.685 -0.090 1.00 0.98 N ATOM 886 CA LEU A 56 -18.024 7.285 -0.929 1.00 0.95 C ATOM 887 C LEU A 56 -17.876 8.771 -0.610 1.00 0.96 C ATOM 888 O LEU A 56 -16.766 9.314 -0.587 1.00 0.95 O ATOM 889 CB LEU A 56 -18.352 7.097 -2.413 1.00 1.02 C ATOM 890 CG LEU A 56 -18.461 5.644 -2.887 1.00 1.06 C ATOM 891 CD1 LEU A 56 -18.531 5.586 -4.402 1.00 1.39 C ATOM 892 CD2 LEU A 56 -17.289 4.813 -2.384 1.00 0.84 C ATOM 0 H LEU A 56 -19.890 6.376 -0.593 1.00 0.98 H new ATOM 0 HA LEU A 56 -17.080 6.782 -0.717 1.00 0.95 H new ATOM 0 HB2 LEU A 56 -19.295 7.601 -2.625 1.00 1.02 H new ATOM 0 HB3 LEU A 56 -17.583 7.596 -3.003 1.00 1.02 H new ATOM 0 HG LEU A 56 -19.378 5.224 -2.474 1.00 1.06 H new ATOM 0 HD11 LEU A 56 -18.608 4.547 -4.723 1.00 1.39 H new ATOM 0 HD12 LEU A 56 -19.405 6.138 -4.747 1.00 1.39 H new ATOM 0 HD13 LEU A 56 -17.630 6.031 -4.825 1.00 1.39 H new ATOM 0 HD21 LEU A 56 -17.393 3.787 -2.736 1.00 0.84 H new ATOM 0 HD22 LEU A 56 -16.357 5.233 -2.761 1.00 0.84 H new ATOM 0 HD23 LEU A 56 -17.277 4.823 -1.294 1.00 0.84 H new ATOM 904 N SER A 57 -19.002 9.421 -0.342 1.00 1.01 N ATOM 905 CA SER A 57 -19.013 10.840 -0.017 1.00 1.06 C ATOM 906 C SER A 57 -18.521 11.084 1.413 1.00 1.03 C ATOM 907 O SER A 57 -18.222 12.217 1.790 1.00 1.06 O ATOM 908 CB SER A 57 -20.428 11.395 -0.193 1.00 1.15 C ATOM 909 OG SER A 57 -21.047 10.846 -1.350 1.00 1.11 O ATOM 0 H SER A 57 -19.924 8.984 -0.344 1.00 1.01 H new ATOM 0 HA SER A 57 -18.334 11.356 -0.695 1.00 1.06 H new ATOM 0 HB2 SER A 57 -21.026 11.164 0.689 1.00 1.15 H new ATOM 0 HB3 SER A 57 -20.389 12.481 -0.277 1.00 1.15 H new ATOM 0 HG SER A 57 -21.951 11.213 -1.443 1.00 1.11 H new ATOM 915 N ASP A 58 -18.423 10.010 2.193 1.00 1.00 N ATOM 916 CA ASP A 58 -17.974 10.094 3.585 1.00 0.99 C ATOM 917 C ASP A 58 -16.543 10.599 3.676 1.00 0.96 C ATOM 918 O ASP A 58 -16.245 11.519 4.436 1.00 1.03 O ATOM 919 CB ASP A 58 -18.055 8.726 4.259 1.00 1.03 C ATOM 920 CG ASP A 58 -19.122 8.656 5.326 1.00 1.13 C ATOM 921 OD1 ASP A 58 -18.883 9.162 6.443 1.00 1.23 O ATOM 922 OD2 ASP A 58 -20.191 8.073 5.052 1.00 1.81 O ATOM 0 H ASP A 58 -18.650 9.065 1.884 1.00 1.00 H new ATOM 0 HA ASP A 58 -18.633 10.797 4.094 1.00 0.99 H new ATOM 0 HB2 ASP A 58 -18.254 7.966 3.503 1.00 1.03 H new ATOM 0 HB3 ASP A 58 -17.088 8.488 4.703 1.00 1.03 H new ATOM 927 N TYR A 59 -15.659 9.991 2.895 1.00 0.88 N ATOM 928 CA TYR A 59 -14.253 10.372 2.890 1.00 0.87 C ATOM 929 C TYR A 59 -13.982 11.384 1.787 1.00 0.91 C ATOM 930 O TYR A 59 -12.839 11.784 1.575 1.00 0.95 O ATOM 931 CB TYR A 59 -13.361 9.144 2.678 1.00 0.83 C ATOM 932 CG TYR A 59 -13.417 8.130 3.801 1.00 0.82 C ATOM 933 CD1 TYR A 59 -12.626 8.273 4.934 1.00 0.94 C ATOM 934 CD2 TYR A 59 -14.257 7.025 3.722 1.00 0.90 C ATOM 935 CE1 TYR A 59 -12.669 7.343 5.957 1.00 1.07 C ATOM 936 CE2 TYR A 59 -14.305 6.092 4.742 1.00 1.03 C ATOM 937 CZ TYR A 59 -13.509 6.256 5.856 1.00 1.09 C ATOM 938 OH TYR A 59 -13.553 5.325 6.870 1.00 1.31 O ATOM 0 H TYR A 59 -15.892 9.231 2.256 1.00 0.88 H new ATOM 0 HA TYR A 59 -14.022 10.819 3.857 1.00 0.87 H new ATOM 0 HB2 TYR A 59 -13.652 8.655 1.748 1.00 0.83 H new ATOM 0 HB3 TYR A 59 -12.330 9.476 2.555 1.00 0.83 H new ATOM 0 HD1 TYR A 59 -11.967 9.124 5.017 1.00 0.94 H new ATOM 0 HD2 TYR A 59 -14.882 6.893 2.851 1.00 0.90 H new ATOM 0 HE1 TYR A 59 -12.047 7.469 6.831 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -14.963 5.239 4.666 1.00 1.03 H new ATOM 0 HH TYR A 59 -12.648 5.175 7.216 1.00 1.31 H new ATOM 948 N ASN A 60 -15.047 11.796 1.097 1.00 0.95 N ATOM 949 CA ASN A 60 -14.936 12.746 -0.008 1.00 1.02 C ATOM 950 C ASN A 60 -14.020 12.177 -1.084 1.00 0.96 C ATOM 951 O ASN A 60 -13.139 12.866 -1.604 1.00 1.00 O ATOM 952 CB ASN A 60 -14.417 14.102 0.484 1.00 1.15 C ATOM 953 CG ASN A 60 -15.538 15.028 0.907 1.00 1.19 C ATOM 954 OD1 ASN A 60 -16.192 15.647 0.066 1.00 1.24 O ATOM 955 ND2 ASN A 60 -15.766 15.141 2.209 1.00 1.44 N ATOM 0 H ASN A 60 -16.000 11.484 1.286 1.00 0.95 H new ATOM 0 HA ASN A 60 -15.927 12.905 -0.433 1.00 1.02 H new ATOM 0 HB2 ASN A 60 -13.741 13.946 1.325 1.00 1.15 H new ATOM 0 HB3 ASN A 60 -13.837 14.576 -0.308 1.00 1.15 H new ATOM 0 HD21 ASN A 60 -16.505 15.758 2.546 1.00 1.44 H new ATOM 0 HD22 ASN A 60 -15.202 14.611 2.873 1.00 1.44 H new ATOM 962 N ILE A 61 -14.249 10.907 -1.406 1.00 0.88 N ATOM 963 CA ILE A 61 -13.457 10.195 -2.394 1.00 0.85 C ATOM 964 C ILE A 61 -13.505 10.890 -3.748 1.00 0.99 C ATOM 965 O ILE A 61 -14.580 11.185 -4.274 1.00 1.14 O ATOM 966 CB ILE A 61 -13.942 8.733 -2.532 1.00 0.77 C ATOM 967 CG1 ILE A 61 -13.655 7.963 -1.240 1.00 0.75 C ATOM 968 CG2 ILE A 61 -13.290 8.048 -3.723 1.00 0.81 C ATOM 969 CD1 ILE A 61 -14.124 6.523 -1.262 1.00 0.75 C ATOM 0 H ILE A 61 -14.990 10.346 -0.987 1.00 0.88 H new ATOM 0 HA ILE A 61 -12.423 10.194 -2.048 1.00 0.85 H new ATOM 0 HB ILE A 61 -15.018 8.742 -2.705 1.00 0.77 H new ATOM 0 HG12 ILE A 61 -12.582 7.982 -1.049 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -14.136 8.478 -0.408 1.00 0.75 H new ATOM 0 HG21 ILE A 61 -13.650 7.022 -3.795 1.00 0.81 H new ATOM 0 HG22 ILE A 61 -13.544 8.586 -4.636 1.00 0.81 H new ATOM 0 HG23 ILE A 61 -12.208 8.044 -3.593 1.00 0.81 H new ATOM 0 HD11 ILE A 61 -13.884 6.047 -0.311 1.00 0.75 H new ATOM 0 HD12 ILE A 61 -15.202 6.494 -1.420 1.00 0.75 H new ATOM 0 HD13 ILE A 61 -13.624 5.990 -2.071 1.00 0.75 H new ATOM 981 N GLN A 62 -12.329 11.171 -4.288 1.00 1.02 N ATOM 982 CA GLN A 62 -12.215 11.820 -5.582 1.00 1.19 C ATOM 983 C GLN A 62 -12.522 10.826 -6.689 1.00 0.99 C ATOM 984 O GLN A 62 -12.218 9.640 -6.563 1.00 0.93 O ATOM 985 CB GLN A 62 -10.807 12.388 -5.776 1.00 1.46 C ATOM 986 CG GLN A 62 -10.588 13.730 -5.101 1.00 1.94 C ATOM 987 CD GLN A 62 -11.468 14.821 -5.677 1.00 1.99 C ATOM 988 OE1 GLN A 62 -12.577 15.056 -5.199 1.00 2.30 O ATOM 989 NE2 GLN A 62 -10.980 15.490 -6.709 1.00 2.35 N ATOM 0 H GLN A 62 -11.435 10.957 -3.845 1.00 1.02 H new ATOM 0 HA GLN A 62 -12.933 12.640 -5.622 1.00 1.19 H new ATOM 0 HB2 GLN A 62 -10.081 11.674 -5.388 1.00 1.46 H new ATOM 0 HB3 GLN A 62 -10.612 12.493 -6.843 1.00 1.46 H new ATOM 0 HG2 GLN A 62 -10.787 13.633 -4.034 1.00 1.94 H new ATOM 0 HG3 GLN A 62 -9.542 14.019 -5.205 1.00 1.94 H new ATOM 0 HE21 GLN A 62 -10.055 15.262 -7.073 1.00 2.35 H new ATOM 0 HE22 GLN A 62 -11.529 16.234 -7.140 1.00 2.35 H new ATOM 998 N LYS A 63 -13.131 11.310 -7.760 1.00 1.00 N ATOM 999 CA LYS A 63 -13.470 10.468 -8.897 1.00 0.98 C ATOM 1000 C LYS A 63 -12.223 9.790 -9.462 1.00 0.88 C ATOM 1001 O LYS A 63 -11.280 10.463 -9.895 1.00 0.95 O ATOM 1002 CB LYS A 63 -14.163 11.301 -9.981 1.00 1.20 C ATOM 1003 CG LYS A 63 -13.540 12.672 -10.188 1.00 1.20 C ATOM 1004 CD LYS A 63 -14.419 13.559 -11.053 1.00 1.48 C ATOM 1005 CE LYS A 63 -13.965 15.011 -11.013 1.00 1.48 C ATOM 1006 NZ LYS A 63 -14.859 15.896 -11.807 1.00 2.15 N ATOM 0 H LYS A 63 -13.402 12.288 -7.866 1.00 1.00 H new ATOM 0 HA LYS A 63 -14.154 9.690 -8.558 1.00 0.98 H new ATOM 0 HB2 LYS A 63 -14.134 10.752 -10.922 1.00 1.20 H new ATOM 0 HB3 LYS A 63 -15.213 11.425 -9.716 1.00 1.20 H new ATOM 0 HG2 LYS A 63 -13.379 13.149 -9.221 1.00 1.20 H new ATOM 0 HG3 LYS A 63 -12.562 12.561 -10.655 1.00 1.20 H new ATOM 0 HD2 LYS A 63 -14.399 13.199 -12.082 1.00 1.48 H new ATOM 0 HD3 LYS A 63 -15.452 13.491 -10.712 1.00 1.48 H new ATOM 0 HE2 LYS A 63 -13.940 15.355 -9.979 1.00 1.48 H new ATOM 0 HE3 LYS A 63 -12.948 15.084 -11.398 1.00 1.48 H new ATOM 0 HZ1 LYS A 63 -14.514 16.876 -11.753 1.00 2.15 H new ATOM 0 HZ2 LYS A 63 -14.864 15.585 -12.799 1.00 2.15 H new ATOM 0 HZ3 LYS A 63 -15.825 15.847 -11.424 1.00 2.15 H new ATOM 1020 N GLU A 64 -12.224 8.457 -9.419 1.00 0.94 N ATOM 1021 CA GLU A 64 -11.113 7.648 -9.917 1.00 1.00 C ATOM 1022 C GLU A 64 -9.837 7.910 -9.115 1.00 0.85 C ATOM 1023 O GLU A 64 -8.775 8.168 -9.681 1.00 0.96 O ATOM 1024 CB GLU A 64 -10.879 7.919 -11.404 1.00 1.26 C ATOM 1025 CG GLU A 64 -12.027 7.461 -12.286 1.00 1.51 C ATOM 1026 CD GLU A 64 -12.011 8.118 -13.647 1.00 1.67 C ATOM 1027 OE1 GLU A 64 -11.127 7.790 -14.465 1.00 2.05 O ATOM 1028 OE2 GLU A 64 -12.889 8.968 -13.908 1.00 1.88 O ATOM 0 H GLU A 64 -12.995 7.909 -9.038 1.00 0.94 H new ATOM 0 HA GLU A 64 -11.377 6.598 -9.792 1.00 1.00 H new ATOM 0 HB2 GLU A 64 -10.721 8.987 -11.551 1.00 1.26 H new ATOM 0 HB3 GLU A 64 -9.965 7.415 -11.719 1.00 1.26 H new ATOM 0 HG2 GLU A 64 -11.977 6.379 -12.408 1.00 1.51 H new ATOM 0 HG3 GLU A 64 -12.972 7.683 -11.790 1.00 1.51 H new ATOM 1035 N SER A 65 -9.952 7.853 -7.792 1.00 0.78 N ATOM 1036 CA SER A 65 -8.810 8.079 -6.915 1.00 0.83 C ATOM 1037 C SER A 65 -8.048 6.778 -6.681 1.00 0.73 C ATOM 1038 O SER A 65 -8.483 5.708 -7.117 1.00 0.73 O ATOM 1039 CB SER A 65 -9.279 8.671 -5.584 1.00 1.02 C ATOM 1040 OG SER A 65 -10.520 8.113 -5.194 1.00 1.05 O ATOM 0 H SER A 65 -10.825 7.652 -7.304 1.00 0.78 H new ATOM 0 HA SER A 65 -8.136 8.788 -7.396 1.00 0.83 H new ATOM 0 HB2 SER A 65 -8.532 8.481 -4.813 1.00 1.02 H new ATOM 0 HB3 SER A 65 -9.375 9.753 -5.676 1.00 1.02 H new ATOM 0 HG SER A 65 -11.250 8.680 -5.519 1.00 1.05 H new ATOM 1046 N THR A 66 -6.918 6.873 -5.992 1.00 0.74 N ATOM 1047 CA THR A 66 -6.098 5.707 -5.716 1.00 0.70 C ATOM 1048 C THR A 66 -6.388 5.126 -4.335 1.00 0.61 C ATOM 1049 O THR A 66 -6.043 5.718 -3.313 1.00 0.65 O ATOM 1050 CB THR A 66 -4.603 6.055 -5.810 1.00 0.82 C ATOM 1051 OG1 THR A 66 -4.373 6.907 -6.943 1.00 1.03 O ATOM 1052 CG2 THR A 66 -3.755 4.794 -5.933 1.00 1.01 C ATOM 0 H THR A 66 -6.551 7.747 -5.615 1.00 0.74 H new ATOM 0 HA THR A 66 -6.348 4.960 -6.469 1.00 0.70 H new ATOM 0 HB THR A 66 -4.314 6.575 -4.897 1.00 0.82 H new ATOM 0 HG1 THR A 66 -3.420 7.128 -6.998 1.00 1.03 H new ATOM 0 HG21 THR A 66 -2.702 5.068 -5.998 1.00 1.01 H new ATOM 0 HG22 THR A 66 -3.912 4.163 -5.058 1.00 1.01 H new ATOM 0 HG23 THR A 66 -4.043 4.248 -6.831 1.00 1.01 H new ATOM 1060 N LEU A 67 -7.034 3.972 -4.317 1.00 0.56 N ATOM 1061 CA LEU A 67 -7.351 3.295 -3.069 1.00 0.52 C ATOM 1062 C LEU A 67 -6.333 2.188 -2.822 1.00 0.51 C ATOM 1063 O LEU A 67 -6.043 1.397 -3.718 1.00 0.58 O ATOM 1064 CB LEU A 67 -8.767 2.712 -3.111 1.00 0.51 C ATOM 1065 CG LEU A 67 -9.881 3.646 -2.626 1.00 0.61 C ATOM 1066 CD1 LEU A 67 -10.103 4.787 -3.608 1.00 0.64 C ATOM 1067 CD2 LEU A 67 -11.171 2.865 -2.420 1.00 0.69 C ATOM 0 H LEU A 67 -7.350 3.483 -5.154 1.00 0.56 H new ATOM 0 HA LEU A 67 -7.308 4.018 -2.254 1.00 0.52 H new ATOM 0 HB2 LEU A 67 -8.988 2.414 -4.136 1.00 0.51 H new ATOM 0 HB3 LEU A 67 -8.786 1.807 -2.504 1.00 0.51 H new ATOM 0 HG LEU A 67 -9.574 4.076 -1.673 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -10.899 5.435 -3.240 1.00 0.64 H new ATOM 0 HD12 LEU A 67 -9.184 5.364 -3.710 1.00 0.64 H new ATOM 0 HD13 LEU A 67 -10.386 4.381 -4.579 1.00 0.64 H new ATOM 0 HD21 LEU A 67 -11.954 3.540 -2.075 1.00 0.69 H new ATOM 0 HD22 LEU A 67 -11.474 2.408 -3.362 1.00 0.69 H new ATOM 0 HD23 LEU A 67 -11.010 2.086 -1.675 1.00 0.69 H new ATOM 1079 N HIS A 68 -5.787 2.127 -1.620 1.00 0.51 N ATOM 1080 CA HIS A 68 -4.792 1.111 -1.305 1.00 0.57 C ATOM 1081 C HIS A 68 -5.439 -0.142 -0.737 1.00 0.49 C ATOM 1082 O HIS A 68 -6.041 -0.109 0.336 1.00 0.44 O ATOM 1083 CB HIS A 68 -3.752 1.656 -0.328 1.00 0.68 C ATOM 1084 CG HIS A 68 -2.385 1.750 -0.923 1.00 0.93 C ATOM 1085 ND1 HIS A 68 -1.353 0.905 -0.577 1.00 1.16 N ATOM 1086 CD2 HIS A 68 -1.886 2.588 -1.859 1.00 1.50 C ATOM 1087 CE1 HIS A 68 -0.278 1.219 -1.277 1.00 1.40 C ATOM 1088 NE2 HIS A 68 -0.578 2.233 -2.064 1.00 1.66 N ATOM 0 H HIS A 68 -6.011 2.760 -0.852 1.00 0.51 H new ATOM 0 HA HIS A 68 -4.292 0.842 -2.236 1.00 0.57 H new ATOM 0 HB2 HIS A 68 -4.063 2.644 0.012 1.00 0.68 H new ATOM 0 HB3 HIS A 68 -3.716 1.013 0.552 1.00 0.68 H new ATOM 0 HD1 HIS A 68 -1.410 0.155 0.112 1.00 1.16 H new ATOM 0 HD2 HIS A 68 -2.418 3.388 -2.353 1.00 1.50 H new ATOM 0 HE1 HIS A 68 0.682 0.729 -1.215 1.00 1.40 H new ATOM 0 HE2 HIS A 68 0.061 2.682 -2.720 1.00 1.66 H new ATOM 1097 N LEU A 69 -5.311 -1.240 -1.467 1.00 0.54 N ATOM 1098 CA LEU A 69 -5.868 -2.515 -1.043 1.00 0.52 C ATOM 1099 C LEU A 69 -4.765 -3.408 -0.502 1.00 0.61 C ATOM 1100 O LEU A 69 -3.944 -3.932 -1.259 1.00 0.72 O ATOM 1101 CB LEU A 69 -6.583 -3.209 -2.206 1.00 0.59 C ATOM 1102 CG LEU A 69 -7.000 -4.660 -1.951 1.00 0.61 C ATOM 1103 CD1 LEU A 69 -8.048 -4.739 -0.850 1.00 0.55 C ATOM 1104 CD2 LEU A 69 -7.520 -5.288 -3.236 1.00 0.84 C ATOM 0 H LEU A 69 -4.823 -1.273 -2.362 1.00 0.54 H new ATOM 0 HA LEU A 69 -6.597 -2.328 -0.255 1.00 0.52 H new ATOM 0 HB2 LEU A 69 -7.473 -2.632 -2.459 1.00 0.59 H new ATOM 0 HB3 LEU A 69 -5.929 -3.185 -3.078 1.00 0.59 H new ATOM 0 HG LEU A 69 -6.125 -5.218 -1.619 1.00 0.61 H new ATOM 0 HD11 LEU A 69 -8.328 -5.780 -0.688 1.00 0.55 H new ATOM 0 HD12 LEU A 69 -7.639 -4.325 0.072 1.00 0.55 H new ATOM 0 HD13 LEU A 69 -8.929 -4.168 -1.144 1.00 0.55 H new ATOM 0 HD21 LEU A 69 -7.814 -6.320 -3.044 1.00 0.84 H new ATOM 0 HD22 LEU A 69 -8.383 -4.725 -3.593 1.00 0.84 H new ATOM 0 HD23 LEU A 69 -6.736 -5.269 -3.993 1.00 0.84 H new ATOM 1116 N VAL A 70 -4.743 -3.570 0.806 1.00 0.64 N ATOM 1117 CA VAL A 70 -3.741 -4.397 1.452 1.00 0.79 C ATOM 1118 C VAL A 70 -4.411 -5.406 2.372 1.00 0.76 C ATOM 1119 O VAL A 70 -5.638 -5.502 2.412 1.00 0.70 O ATOM 1120 CB VAL A 70 -2.729 -3.546 2.255 1.00 0.92 C ATOM 1121 CG1 VAL A 70 -1.848 -2.729 1.317 1.00 1.24 C ATOM 1122 CG2 VAL A 70 -3.448 -2.638 3.245 1.00 1.10 C ATOM 0 H VAL A 70 -5.410 -3.138 1.445 1.00 0.64 H new ATOM 0 HA VAL A 70 -3.192 -4.923 0.671 1.00 0.79 H new ATOM 0 HB VAL A 70 -2.090 -4.224 2.820 1.00 0.92 H new ATOM 0 HG11 VAL A 70 -1.144 -2.138 1.902 1.00 1.24 H new ATOM 0 HG12 VAL A 70 -1.298 -3.400 0.657 1.00 1.24 H new ATOM 0 HG13 VAL A 70 -2.471 -2.064 0.720 1.00 1.24 H new ATOM 0 HG21 VAL A 70 -2.715 -2.050 3.798 1.00 1.10 H new ATOM 0 HG22 VAL A 70 -4.118 -1.969 2.705 1.00 1.10 H new ATOM 0 HG23 VAL A 70 -4.026 -3.245 3.942 1.00 1.10 H new ATOM 1132 N LEU A 71 -3.609 -6.160 3.096 1.00 0.84 N ATOM 1133 CA LEU A 71 -4.130 -7.153 4.014 1.00 0.85 C ATOM 1134 C LEU A 71 -3.900 -6.698 5.450 1.00 0.87 C ATOM 1135 O LEU A 71 -3.692 -5.509 5.704 1.00 1.21 O ATOM 1136 CB LEU A 71 -3.455 -8.504 3.765 1.00 0.95 C ATOM 1137 CG LEU A 71 -4.372 -9.724 3.882 1.00 1.24 C ATOM 1138 CD1 LEU A 71 -5.383 -9.742 2.746 1.00 1.62 C ATOM 1139 CD2 LEU A 71 -3.554 -11.005 3.891 1.00 1.37 C ATOM 0 H LEU A 71 -2.591 -6.104 3.066 1.00 0.84 H new ATOM 0 HA LEU A 71 -5.201 -7.267 3.849 1.00 0.85 H new ATOM 0 HB2 LEU A 71 -3.016 -8.494 2.767 1.00 0.95 H new ATOM 0 HB3 LEU A 71 -2.634 -8.618 4.473 1.00 0.95 H new ATOM 0 HG LEU A 71 -4.916 -9.658 4.824 1.00 1.24 H new ATOM 0 HD11 LEU A 71 -6.026 -10.616 2.845 1.00 1.62 H new ATOM 0 HD12 LEU A 71 -5.991 -8.838 2.785 1.00 1.62 H new ATOM 0 HD13 LEU A 71 -4.858 -9.785 1.792 1.00 1.62 H new ATOM 0 HD21 LEU A 71 -4.222 -11.862 3.975 1.00 1.37 H new ATOM 0 HD22 LEU A 71 -2.983 -11.079 2.965 1.00 1.37 H new ATOM 0 HD23 LEU A 71 -2.870 -10.994 4.739 1.00 1.37 H new ATOM 1151 N ARG A 72 -3.930 -7.640 6.379 1.00 1.17 N ATOM 1152 CA ARG A 72 -3.719 -7.333 7.783 1.00 1.21 C ATOM 1153 C ARG A 72 -2.703 -8.289 8.390 1.00 1.35 C ATOM 1154 O ARG A 72 -2.549 -9.421 7.931 1.00 1.52 O ATOM 1155 CB ARG A 72 -5.042 -7.398 8.554 1.00 1.30 C ATOM 1156 CG ARG A 72 -5.946 -8.554 8.148 1.00 1.46 C ATOM 1157 CD ARG A 72 -6.200 -9.506 9.308 1.00 1.36 C ATOM 1158 NE ARG A 72 -4.993 -10.239 9.694 1.00 1.51 N ATOM 1159 CZ ARG A 72 -4.820 -11.549 9.510 1.00 1.68 C ATOM 1160 NH1 ARG A 72 -5.795 -12.295 9.000 1.00 1.84 N ATOM 1161 NH2 ARG A 72 -3.674 -12.119 9.865 1.00 1.99 N ATOM 0 H ARG A 72 -4.099 -8.627 6.184 1.00 1.17 H new ATOM 0 HA ARG A 72 -3.327 -6.319 7.857 1.00 1.21 H new ATOM 0 HB2 ARG A 72 -4.825 -7.478 9.619 1.00 1.30 H new ATOM 0 HB3 ARG A 72 -5.581 -6.462 8.408 1.00 1.30 H new ATOM 0 HG2 ARG A 72 -6.896 -8.162 7.784 1.00 1.46 H new ATOM 0 HG3 ARG A 72 -5.489 -9.100 7.323 1.00 1.46 H new ATOM 0 HD2 ARG A 72 -6.571 -8.942 10.164 1.00 1.36 H new ATOM 0 HD3 ARG A 72 -6.981 -10.214 9.031 1.00 1.36 H new ATOM 0 HE ARG A 72 -4.236 -9.714 10.132 1.00 1.51 H new ATOM 0 HH11 ARG A 72 -6.685 -11.867 8.746 1.00 1.84 H new ATOM 0 HH12 ARG A 72 -5.653 -13.296 8.863 1.00 1.84 H new ATOM 0 HH21 ARG A 72 -2.930 -11.555 10.277 1.00 1.99 H new ATOM 0 HH22 ARG A 72 -3.538 -13.120 9.726 1.00 1.99 H new ATOM 1175 N LEU A 73 -2.007 -7.824 9.412 1.00 1.36 N ATOM 1176 CA LEU A 73 -1.007 -8.629 10.093 1.00 1.55 C ATOM 1177 C LEU A 73 -1.645 -9.411 11.232 1.00 1.62 C ATOM 1178 O LEU A 73 -1.707 -10.639 11.201 1.00 1.83 O ATOM 1179 CB LEU A 73 0.105 -7.731 10.638 1.00 1.60 C ATOM 1180 CG LEU A 73 1.216 -8.450 11.400 1.00 1.89 C ATOM 1181 CD1 LEU A 73 2.076 -9.266 10.448 1.00 2.09 C ATOM 1182 CD2 LEU A 73 2.062 -7.446 12.170 1.00 1.97 C ATOM 0 H LEU A 73 -2.117 -6.884 9.792 1.00 1.36 H new ATOM 0 HA LEU A 73 -0.580 -9.333 9.379 1.00 1.55 H new ATOM 0 HB2 LEU A 73 0.552 -7.189 9.805 1.00 1.60 H new ATOM 0 HB3 LEU A 73 -0.343 -6.988 11.298 1.00 1.60 H new ATOM 0 HG LEU A 73 0.761 -9.136 12.115 1.00 1.89 H new ATOM 0 HD11 LEU A 73 2.862 -9.771 11.010 1.00 2.09 H new ATOM 0 HD12 LEU A 73 1.457 -10.008 9.943 1.00 2.09 H new ATOM 0 HD13 LEU A 73 2.527 -8.605 9.707 1.00 2.09 H new ATOM 0 HD21 LEU A 73 2.850 -7.972 12.709 1.00 1.97 H new ATOM 0 HD22 LEU A 73 2.509 -6.737 11.473 1.00 1.97 H new ATOM 0 HD23 LEU A 73 1.433 -6.909 12.880 1.00 1.97 H new ATOM 1194 N ARG A 74 -2.149 -8.681 12.217 1.00 1.51 N ATOM 1195 CA ARG A 74 -2.776 -9.288 13.384 1.00 1.62 C ATOM 1196 C ARG A 74 -4.177 -9.777 13.049 1.00 1.56 C ATOM 1197 O ARG A 74 -5.015 -9.007 12.584 1.00 1.63 O ATOM 1198 CB ARG A 74 -2.840 -8.281 14.532 1.00 1.72 C ATOM 1199 CG ARG A 74 -1.559 -7.483 14.709 1.00 1.87 C ATOM 1200 CD ARG A 74 -1.668 -6.494 15.857 1.00 2.28 C ATOM 1201 NE ARG A 74 -0.476 -5.656 15.969 1.00 2.26 N ATOM 1202 CZ ARG A 74 0.573 -5.946 16.740 1.00 2.65 C ATOM 1203 NH1 ARG A 74 0.589 -7.069 17.453 1.00 3.32 N ATOM 1204 NH2 ARG A 74 1.607 -5.119 16.788 1.00 2.70 N ATOM 0 H ARG A 74 -2.136 -7.661 12.231 1.00 1.51 H new ATOM 0 HA ARG A 74 -2.172 -10.143 13.690 1.00 1.62 H new ATOM 0 HB2 ARG A 74 -3.666 -7.592 14.355 1.00 1.72 H new ATOM 0 HB3 ARG A 74 -3.059 -8.811 15.459 1.00 1.72 H new ATOM 0 HG2 ARG A 74 -0.728 -8.164 14.893 1.00 1.87 H new ATOM 0 HG3 ARG A 74 -1.334 -6.947 13.787 1.00 1.87 H new ATOM 0 HD2 ARG A 74 -2.544 -5.862 15.710 1.00 2.28 H new ATOM 0 HD3 ARG A 74 -1.820 -7.036 16.790 1.00 2.28 H new ATOM 0 HE ARG A 74 -0.444 -4.795 15.423 1.00 2.26 H new ATOM 0 HH11 ARG A 74 -0.202 -7.711 17.411 1.00 3.32 H new ATOM 0 HH12 ARG A 74 1.393 -7.288 18.042 1.00 3.32 H new ATOM 0 HH21 ARG A 74 1.600 -4.262 16.236 1.00 2.70 H new ATOM 0 HH22 ARG A 74 2.410 -5.340 17.377 1.00 2.70 H new ATOM 1218 N GLY A 75 -4.422 -11.058 13.276 1.00 1.69 N ATOM 1219 CA GLY A 75 -5.725 -11.624 12.998 1.00 1.67 C ATOM 1220 C GLY A 75 -6.619 -11.615 14.220 1.00 1.77 C ATOM 1221 O GLY A 75 -7.836 -11.772 14.113 1.00 2.16 O ATOM 0 H GLY A 75 -3.739 -11.718 13.649 1.00 1.69 H new ATOM 0 HA2 GLY A 75 -6.202 -11.060 12.196 1.00 1.67 H new ATOM 0 HA3 GLY A 75 -5.607 -12.648 12.642 1.00 1.67 H new ATOM 1225 N GLY A 76 -6.009 -11.422 15.383 1.00 1.73 N ATOM 1226 CA GLY A 76 -6.748 -11.392 16.625 1.00 1.91 C ATOM 1227 C GLY A 76 -6.036 -10.566 17.673 1.00 2.25 C ATOM 1228 O GLY A 76 -5.459 -9.521 17.310 1.00 2.51 O ATOM 1229 OXT GLY A 76 -6.024 -10.971 18.854 1.00 2.58 O ATOM 0 H GLY A 76 -5.003 -11.284 15.485 1.00 1.73 H new ATOM 0 HA2 GLY A 76 -7.742 -10.980 16.449 1.00 1.91 H new ATOM 0 HA3 GLY A 76 -6.885 -12.409 16.993 1.00 1.91 H new TER 1233 GLY A 76 ATOM 1234 N ALA B 49 28.251 -0.684 -14.656 1.00 7.89 N ATOM 1235 CA ALA B 49 29.577 -0.086 -14.396 1.00 7.38 C ATOM 1236 C ALA B 49 29.485 0.935 -13.275 1.00 6.19 C ATOM 1237 O ALA B 49 28.593 1.785 -13.272 1.00 6.01 O ATOM 1238 CB ALA B 49 30.123 0.565 -15.656 1.00 8.29 C ATOM 0 HA ALA B 49 30.260 -0.879 -14.091 1.00 7.38 H new ATOM 0 HB1 ALA B 49 31.100 1.000 -15.447 1.00 8.29 H new ATOM 0 HB2 ALA B 49 30.221 -0.186 -16.440 1.00 8.29 H new ATOM 0 HB3 ALA B 49 29.440 1.348 -15.986 1.00 8.29 H new ATOM 1246 N ASN B 50 30.411 0.860 -12.331 1.00 5.55 N ATOM 1247 CA ASN B 50 30.422 1.777 -11.201 1.00 4.48 C ATOM 1248 C ASN B 50 31.086 3.091 -11.592 1.00 4.51 C ATOM 1249 O ASN B 50 32.175 3.423 -11.127 1.00 3.94 O ATOM 1250 CB ASN B 50 31.129 1.148 -9.996 1.00 3.80 C ATOM 1251 CG ASN B 50 30.860 1.904 -8.704 1.00 3.32 C ATOM 1252 OD1 ASN B 50 29.967 2.747 -8.636 1.00 3.27 O ATOM 1253 ND2 ASN B 50 31.622 1.598 -7.666 1.00 3.32 N ATOM 0 H ASN B 50 31.165 0.173 -12.325 1.00 5.55 H new ATOM 0 HA ASN B 50 29.391 1.983 -10.915 1.00 4.48 H new ATOM 0 HB2 ASN B 50 30.800 0.115 -9.884 1.00 3.80 H new ATOM 0 HB3 ASN B 50 32.203 1.122 -10.181 1.00 3.80 H new ATOM 0 HD21 ASN B 50 31.478 2.067 -6.772 1.00 3.32 H new ATOM 0 HD22 ASN B 50 32.353 0.893 -7.760 1.00 3.32 H new ATOM 1260 N GLN B 51 30.429 3.810 -12.484 1.00 5.34 N ATOM 1261 CA GLN B 51 30.914 5.094 -12.960 1.00 5.73 C ATOM 1262 C GLN B 51 29.790 6.115 -12.864 1.00 5.61 C ATOM 1263 O GLN B 51 29.956 7.200 -12.302 1.00 5.77 O ATOM 1264 CB GLN B 51 31.410 4.973 -14.406 1.00 6.81 C ATOM 1265 CG GLN B 51 32.625 4.069 -14.556 1.00 7.14 C ATOM 1266 CD GLN B 51 32.571 3.200 -15.799 1.00 7.49 C ATOM 1267 OE1 GLN B 51 33.067 2.070 -15.797 1.00 7.06 O ATOM 1268 NE2 GLN B 51 31.979 3.714 -16.868 1.00 8.42 N ATOM 0 H GLN B 51 29.544 3.521 -12.899 1.00 5.34 H new ATOM 0 HA GLN B 51 31.751 5.420 -12.343 1.00 5.73 H new ATOM 0 HB2 GLN B 51 30.602 4.589 -15.028 1.00 6.81 H new ATOM 0 HB3 GLN B 51 31.657 5.966 -14.782 1.00 6.81 H new ATOM 0 HG2 GLN B 51 33.525 4.683 -14.588 1.00 7.14 H new ATOM 0 HG3 GLN B 51 32.706 3.430 -13.677 1.00 7.14 H new ATOM 0 HE21 GLN B 51 31.581 4.652 -16.829 1.00 8.42 H new ATOM 0 HE22 GLN B 51 31.921 3.171 -17.730 1.00 8.42 H new ATOM 1277 N GLN B 52 28.639 5.746 -13.405 1.00 5.47 N ATOM 1278 CA GLN B 52 27.467 6.604 -13.377 1.00 5.44 C ATOM 1279 C GLN B 52 26.530 6.136 -12.272 1.00 4.52 C ATOM 1280 O GLN B 52 26.473 4.945 -11.964 1.00 4.10 O ATOM 1281 CB GLN B 52 26.740 6.581 -14.730 1.00 6.26 C ATOM 1282 CG GLN B 52 27.661 6.368 -15.923 1.00 6.28 C ATOM 1283 CD GLN B 52 27.732 4.912 -16.349 1.00 6.34 C ATOM 1284 OE1 GLN B 52 28.523 4.137 -15.816 1.00 5.83 O ATOM 1285 NE2 GLN B 52 26.911 4.535 -17.318 1.00 7.08 N ATOM 0 H GLN B 52 28.492 4.851 -13.872 1.00 5.47 H new ATOM 0 HA GLN B 52 27.783 7.629 -13.181 1.00 5.44 H new ATOM 0 HB2 GLN B 52 25.992 5.789 -14.716 1.00 6.26 H new ATOM 0 HB3 GLN B 52 26.205 7.522 -14.860 1.00 6.26 H new ATOM 0 HG2 GLN B 52 27.311 6.972 -16.760 1.00 6.28 H new ATOM 0 HG3 GLN B 52 28.662 6.719 -15.673 1.00 6.28 H new ATOM 0 HE21 GLN B 52 26.269 5.210 -17.734 1.00 7.08 H new ATOM 0 HE22 GLN B 52 26.921 3.570 -17.648 1.00 7.08 H new ATOM 1294 N THR B 53 25.788 7.062 -11.686 1.00 4.33 N ATOM 1295 CA THR B 53 24.865 6.732 -10.608 1.00 3.53 C ATOM 1296 C THR B 53 23.560 6.133 -11.142 1.00 3.27 C ATOM 1297 O THR B 53 22.478 6.408 -10.623 1.00 3.29 O ATOM 1298 CB THR B 53 24.557 7.979 -9.762 1.00 3.67 C ATOM 1299 OG1 THR B 53 24.750 9.163 -10.553 1.00 4.47 O ATOM 1300 CG2 THR B 53 25.450 8.031 -8.533 1.00 3.04 C ATOM 0 H THR B 53 25.806 8.050 -11.938 1.00 4.33 H new ATOM 0 HA THR B 53 25.351 5.982 -9.983 1.00 3.53 H new ATOM 0 HB THR B 53 23.519 7.926 -9.433 1.00 3.67 H new ATOM 0 HG1 THR B 53 24.551 9.955 -10.011 1.00 4.47 H new ATOM 0 HG21 THR B 53 25.215 8.921 -7.950 1.00 3.04 H new ATOM 0 HG22 THR B 53 25.282 7.143 -7.924 1.00 3.04 H new ATOM 0 HG23 THR B 53 26.494 8.066 -8.843 1.00 3.04 H new ATOM 1308 N SER B 54 23.672 5.311 -12.178 1.00 3.19 N ATOM 1309 CA SER B 54 22.516 4.663 -12.781 1.00 2.94 C ATOM 1310 C SER B 54 22.257 3.316 -12.114 1.00 1.98 C ATOM 1311 O SER B 54 21.150 2.783 -12.161 1.00 1.51 O ATOM 1312 CB SER B 54 22.746 4.482 -14.282 1.00 3.63 C ATOM 1313 OG SER B 54 23.371 5.630 -14.838 1.00 4.57 O ATOM 0 H SER B 54 24.560 5.076 -12.621 1.00 3.19 H new ATOM 0 HA SER B 54 21.639 5.293 -12.634 1.00 2.94 H new ATOM 0 HB2 SER B 54 23.368 3.604 -14.456 1.00 3.63 H new ATOM 0 HB3 SER B 54 21.794 4.303 -14.781 1.00 3.63 H new ATOM 0 HG SER B 54 23.511 5.493 -15.798 1.00 4.57 H new ATOM 1319 N GLY B 55 23.290 2.776 -11.478 1.00 2.06 N ATOM 1320 CA GLY B 55 23.159 1.503 -10.793 1.00 1.62 C ATOM 1321 C GLY B 55 22.734 1.693 -9.352 1.00 1.24 C ATOM 1322 O GLY B 55 23.110 0.919 -8.473 1.00 1.38 O ATOM 0 H GLY B 55 24.217 3.197 -11.424 1.00 2.06 H new ATOM 0 HA2 GLY B 55 22.428 0.883 -11.311 1.00 1.62 H new ATOM 0 HA3 GLY B 55 24.109 0.970 -10.827 1.00 1.62 H new ATOM 1326 N LYS B 56 21.952 2.740 -9.120 1.00 0.94 N ATOM 1327 CA LYS B 56 21.467 3.073 -7.794 1.00 0.68 C ATOM 1328 C LYS B 56 20.258 3.983 -7.915 1.00 0.61 C ATOM 1329 O LYS B 56 20.133 4.718 -8.896 1.00 0.68 O ATOM 1330 CB LYS B 56 22.564 3.782 -6.999 1.00 0.81 C ATOM 1331 CG LYS B 56 22.521 3.493 -5.509 1.00 1.31 C ATOM 1332 CD LYS B 56 22.812 2.030 -5.226 1.00 0.93 C ATOM 1333 CE LYS B 56 23.249 1.815 -3.791 1.00 1.34 C ATOM 1334 NZ LYS B 56 23.756 0.438 -3.571 1.00 1.52 N ATOM 0 H LYS B 56 21.638 3.380 -9.849 1.00 0.94 H new ATOM 0 HA LYS B 56 21.187 2.157 -7.273 1.00 0.68 H new ATOM 0 HB2 LYS B 56 23.536 3.482 -7.391 1.00 0.81 H new ATOM 0 HB3 LYS B 56 22.476 4.857 -7.154 1.00 0.81 H new ATOM 0 HG2 LYS B 56 23.250 4.118 -4.993 1.00 1.31 H new ATOM 0 HG3 LYS B 56 21.540 3.755 -5.113 1.00 1.31 H new ATOM 0 HD2 LYS B 56 21.921 1.436 -5.428 1.00 0.93 H new ATOM 0 HD3 LYS B 56 23.591 1.676 -5.901 1.00 0.93 H new ATOM 0 HE2 LYS B 56 24.027 2.534 -3.536 1.00 1.34 H new ATOM 0 HE3 LYS B 56 22.409 2.004 -3.123 1.00 1.34 H new ATOM 0 HZ1 LYS B 56 24.372 0.425 -2.733 1.00 1.52 H new ATOM 0 HZ2 LYS B 56 22.954 -0.207 -3.422 1.00 1.52 H new ATOM 0 HZ3 LYS B 56 24.298 0.130 -4.404 1.00 1.52 H new ATOM 1348 N VAL B 57 19.362 3.931 -6.945 1.00 0.56 N ATOM 1349 CA VAL B 57 18.186 4.781 -6.982 1.00 0.53 C ATOM 1350 C VAL B 57 18.405 6.023 -6.132 1.00 0.53 C ATOM 1351 O VAL B 57 18.461 5.950 -4.904 1.00 0.57 O ATOM 1352 CB VAL B 57 16.914 4.055 -6.505 1.00 0.49 C ATOM 1353 CG1 VAL B 57 15.681 4.883 -6.841 1.00 0.57 C ATOM 1354 CG2 VAL B 57 16.813 2.671 -7.126 1.00 0.54 C ATOM 0 H VAL B 57 19.424 3.318 -6.132 1.00 0.56 H new ATOM 0 HA VAL B 57 18.036 5.061 -8.025 1.00 0.53 H new ATOM 0 HB VAL B 57 16.972 3.934 -5.423 1.00 0.49 H new ATOM 0 HG11 VAL B 57 14.788 4.360 -6.499 1.00 0.57 H new ATOM 0 HG12 VAL B 57 15.747 5.851 -6.345 1.00 0.57 H new ATOM 0 HG13 VAL B 57 15.625 5.031 -7.919 1.00 0.57 H new ATOM 0 HG21 VAL B 57 15.906 2.179 -6.773 1.00 0.54 H new ATOM 0 HG22 VAL B 57 16.778 2.761 -8.212 1.00 0.54 H new ATOM 0 HG23 VAL B 57 17.682 2.079 -6.839 1.00 0.54 H new ATOM 1364 N LEU B 58 18.552 7.153 -6.798 1.00 0.64 N ATOM 1365 CA LEU B 58 18.759 8.422 -6.123 1.00 0.67 C ATOM 1366 C LEU B 58 17.416 9.075 -5.822 1.00 0.67 C ATOM 1367 O LEU B 58 16.831 9.734 -6.683 1.00 0.97 O ATOM 1368 CB LEU B 58 19.610 9.351 -6.996 1.00 0.85 C ATOM 1369 CG LEU B 58 19.924 10.723 -6.392 1.00 0.87 C ATOM 1370 CD1 LEU B 58 21.002 10.608 -5.332 1.00 1.04 C ATOM 1371 CD2 LEU B 58 20.351 11.697 -7.477 1.00 1.26 C ATOM 0 H LEU B 58 18.532 7.218 -7.816 1.00 0.64 H new ATOM 0 HA LEU B 58 19.285 8.242 -5.185 1.00 0.67 H new ATOM 0 HB2 LEU B 58 20.551 8.849 -7.220 1.00 0.85 H new ATOM 0 HB3 LEU B 58 19.095 9.501 -7.945 1.00 0.85 H new ATOM 0 HG LEU B 58 19.018 11.104 -5.921 1.00 0.87 H new ATOM 0 HD11 LEU B 58 21.210 11.594 -4.916 1.00 1.04 H new ATOM 0 HD12 LEU B 58 20.662 9.943 -4.538 1.00 1.04 H new ATOM 0 HD13 LEU B 58 21.910 10.204 -5.779 1.00 1.04 H new ATOM 0 HD21 LEU B 58 20.570 12.667 -7.030 1.00 1.26 H new ATOM 0 HD22 LEU B 58 21.243 11.318 -7.976 1.00 1.26 H new ATOM 0 HD23 LEU B 58 19.547 11.806 -8.205 1.00 1.26 H new ATOM 1383 N TYR B 59 16.920 8.874 -4.612 1.00 0.54 N ATOM 1384 CA TYR B 59 15.647 9.448 -4.203 1.00 0.57 C ATOM 1385 C TYR B 59 15.883 10.565 -3.188 1.00 0.58 C ATOM 1386 O TYR B 59 16.620 10.385 -2.219 1.00 0.62 O ATOM 1387 CB TYR B 59 14.715 8.359 -3.630 1.00 0.63 C ATOM 1388 CG TYR B 59 14.815 8.168 -2.127 1.00 0.72 C ATOM 1389 CD1 TYR B 59 15.861 7.443 -1.562 1.00 0.75 C ATOM 1390 CD2 TYR B 59 13.877 8.737 -1.271 1.00 0.88 C ATOM 1391 CE1 TYR B 59 15.963 7.294 -0.193 1.00 0.97 C ATOM 1392 CE2 TYR B 59 13.973 8.586 0.098 1.00 1.05 C ATOM 1393 CZ TYR B 59 15.018 7.869 0.631 1.00 1.10 C ATOM 1394 OH TYR B 59 15.124 7.730 1.995 1.00 1.35 O ATOM 0 H TYR B 59 17.381 8.316 -3.893 1.00 0.54 H new ATOM 0 HA TYR B 59 15.154 9.875 -5.077 1.00 0.57 H new ATOM 0 HB2 TYR B 59 13.685 8.611 -3.883 1.00 0.63 H new ATOM 0 HB3 TYR B 59 14.941 7.412 -4.119 1.00 0.63 H new ATOM 0 HD1 TYR B 59 16.603 6.991 -2.204 1.00 0.75 H new ATOM 0 HD2 TYR B 59 13.059 9.307 -1.685 1.00 0.88 H new ATOM 0 HE1 TYR B 59 16.780 6.729 0.231 1.00 0.97 H new ATOM 0 HE2 TYR B 59 13.231 9.029 0.747 1.00 1.05 H new ATOM 0 HH TYR B 59 14.379 8.195 2.430 1.00 1.35 H new ATOM 1404 N GLU B 60 15.292 11.729 -3.447 1.00 0.64 N ATOM 1405 CA GLU B 60 15.418 12.894 -2.568 1.00 0.68 C ATOM 1406 C GLU B 60 16.884 13.218 -2.262 1.00 0.74 C ATOM 1407 O GLU B 60 17.212 13.707 -1.181 1.00 0.82 O ATOM 1408 CB GLU B 60 14.643 12.672 -1.264 1.00 0.75 C ATOM 1409 CG GLU B 60 13.155 12.424 -1.473 1.00 0.88 C ATOM 1410 CD GLU B 60 12.528 13.410 -2.437 1.00 1.88 C ATOM 1411 OE1 GLU B 60 12.121 14.504 -1.996 1.00 2.64 O ATOM 1412 OE2 GLU B 60 12.446 13.098 -3.645 1.00 2.51 O ATOM 0 H GLU B 60 14.713 11.893 -4.270 1.00 0.64 H new ATOM 0 HA GLU B 60 14.990 13.747 -3.095 1.00 0.68 H new ATOM 0 HB2 GLU B 60 15.074 11.821 -0.736 1.00 0.75 H new ATOM 0 HB3 GLU B 60 14.771 13.544 -0.622 1.00 0.75 H new ATOM 0 HG2 GLU B 60 13.009 11.411 -1.849 1.00 0.88 H new ATOM 0 HG3 GLU B 60 12.642 12.485 -0.513 1.00 0.88 H new ATOM 1419 N GLY B 61 17.762 12.940 -3.222 1.00 0.81 N ATOM 1420 CA GLY B 61 19.178 13.211 -3.043 1.00 0.99 C ATOM 1421 C GLY B 61 19.901 12.131 -2.250 1.00 1.03 C ATOM 1422 O GLY B 61 21.023 12.342 -1.784 1.00 1.27 O ATOM 0 H GLY B 61 17.517 12.531 -4.123 1.00 0.81 H new ATOM 0 HA2 GLY B 61 19.649 13.311 -4.021 1.00 0.99 H new ATOM 0 HA3 GLY B 61 19.297 14.167 -2.533 1.00 0.99 H new ATOM 1426 N LYS B 62 19.269 10.978 -2.087 1.00 0.90 N ATOM 1427 CA LYS B 62 19.875 9.874 -1.354 1.00 1.00 C ATOM 1428 C LYS B 62 19.915 8.612 -2.211 1.00 0.88 C ATOM 1429 O LYS B 62 18.913 8.226 -2.809 1.00 0.78 O ATOM 1430 CB LYS B 62 19.106 9.601 -0.057 1.00 1.08 C ATOM 1431 CG LYS B 62 19.633 8.406 0.721 1.00 1.44 C ATOM 1432 CD LYS B 62 18.848 8.181 2.004 1.00 1.44 C ATOM 1433 CE LYS B 62 19.285 9.133 3.105 1.00 1.32 C ATOM 1434 NZ LYS B 62 20.681 8.872 3.543 1.00 1.45 N ATOM 0 H LYS B 62 18.337 10.782 -2.452 1.00 0.90 H new ATOM 0 HA LYS B 62 20.897 10.158 -1.104 1.00 1.00 H new ATOM 0 HB2 LYS B 62 19.153 10.486 0.577 1.00 1.08 H new ATOM 0 HB3 LYS B 62 18.055 9.435 -0.295 1.00 1.08 H new ATOM 0 HG2 LYS B 62 19.577 7.513 0.099 1.00 1.44 H new ATOM 0 HG3 LYS B 62 20.685 8.562 0.960 1.00 1.44 H new ATOM 0 HD2 LYS B 62 17.784 8.315 1.808 1.00 1.44 H new ATOM 0 HD3 LYS B 62 18.983 7.152 2.338 1.00 1.44 H new ATOM 0 HE2 LYS B 62 19.202 10.160 2.750 1.00 1.32 H new ATOM 0 HE3 LYS B 62 18.613 9.035 3.957 1.00 1.32 H new ATOM 0 HZ1 LYS B 62 20.821 9.253 4.500 1.00 1.45 H new ATOM 0 HZ2 LYS B 62 20.857 7.847 3.549 1.00 1.45 H new ATOM 0 HZ3 LYS B 62 21.343 9.333 2.886 1.00 1.45 H new ATOM 1448 N GLU B 63 21.082 7.987 -2.279 1.00 0.95 N ATOM 1449 CA GLU B 63 21.258 6.767 -3.054 1.00 0.88 C ATOM 1450 C GLU B 63 20.889 5.542 -2.224 1.00 0.89 C ATOM 1451 O GLU B 63 21.333 5.403 -1.084 1.00 1.05 O ATOM 1452 CB GLU B 63 22.709 6.644 -3.517 1.00 1.03 C ATOM 1453 CG GLU B 63 23.057 7.515 -4.710 1.00 1.17 C ATOM 1454 CD GLU B 63 24.543 7.523 -4.989 1.00 1.35 C ATOM 1455 OE1 GLU B 63 25.111 6.443 -5.246 1.00 1.91 O ATOM 1456 OE2 GLU B 63 25.158 8.609 -4.937 1.00 1.35 O ATOM 0 H GLU B 63 21.926 8.307 -1.804 1.00 0.95 H new ATOM 0 HA GLU B 63 20.600 6.818 -3.921 1.00 0.88 H new ATOM 0 HB2 GLU B 63 23.367 6.904 -2.687 1.00 1.03 H new ATOM 0 HB3 GLU B 63 22.911 5.603 -3.770 1.00 1.03 H new ATOM 0 HG2 GLU B 63 22.524 7.154 -5.590 1.00 1.17 H new ATOM 0 HG3 GLU B 63 22.717 8.534 -4.527 1.00 1.17 H new ATOM 1463 N PHE B 64 20.071 4.668 -2.790 1.00 0.78 N ATOM 1464 CA PHE B 64 19.666 3.449 -2.106 1.00 0.84 C ATOM 1465 C PHE B 64 19.505 2.308 -3.103 1.00 0.86 C ATOM 1466 O PHE B 64 19.510 2.531 -4.316 1.00 0.97 O ATOM 1467 CB PHE B 64 18.365 3.668 -1.334 1.00 0.78 C ATOM 1468 CG PHE B 64 18.515 3.448 0.146 1.00 0.85 C ATOM 1469 CD1 PHE B 64 18.416 2.175 0.683 1.00 0.89 C ATOM 1470 CD2 PHE B 64 18.750 4.514 1.002 1.00 0.98 C ATOM 1471 CE1 PHE B 64 18.558 1.968 2.042 1.00 1.01 C ATOM 1472 CE2 PHE B 64 18.892 4.310 2.362 1.00 1.07 C ATOM 1473 CZ PHE B 64 18.791 3.036 2.881 1.00 1.06 C ATOM 0 H PHE B 64 19.674 4.780 -3.723 1.00 0.78 H new ATOM 0 HA PHE B 64 20.447 3.182 -1.394 1.00 0.84 H new ATOM 0 HB2 PHE B 64 18.011 4.684 -1.511 1.00 0.78 H new ATOM 0 HB3 PHE B 64 17.602 2.993 -1.720 1.00 0.78 H new ATOM 0 HD1 PHE B 64 18.226 1.334 0.032 1.00 0.89 H new ATOM 0 HD2 PHE B 64 18.823 5.514 0.602 1.00 0.98 H new ATOM 0 HE1 PHE B 64 18.486 0.969 2.446 1.00 1.01 H new ATOM 0 HE2 PHE B 64 19.082 5.147 3.017 1.00 1.07 H new ATOM 0 HZ PHE B 64 18.894 2.876 3.944 1.00 1.06 H new ATOM 1483 N ASP B 65 19.376 1.091 -2.585 1.00 0.82 N ATOM 1484 CA ASP B 65 19.219 -0.095 -3.424 1.00 0.85 C ATOM 1485 C ASP B 65 17.845 -0.105 -4.074 1.00 0.82 C ATOM 1486 O ASP B 65 17.716 0.090 -5.281 1.00 0.92 O ATOM 1487 CB ASP B 65 19.401 -1.376 -2.601 1.00 0.87 C ATOM 1488 CG ASP B 65 20.847 -1.657 -2.226 1.00 1.21 C ATOM 1489 OD1 ASP B 65 21.750 -0.993 -2.768 1.00 1.81 O ATOM 1490 OD2 ASP B 65 21.084 -2.552 -1.383 1.00 1.57 O ATOM 0 H ASP B 65 19.377 0.898 -1.583 1.00 0.82 H new ATOM 0 HA ASP B 65 19.986 -0.061 -4.197 1.00 0.85 H new ATOM 0 HB2 ASP B 65 18.806 -1.301 -1.691 1.00 0.87 H new ATOM 0 HB3 ASP B 65 19.010 -2.221 -3.168 1.00 0.87 H new ATOM 1495 N TYR B 66 16.819 -0.328 -3.265 1.00 0.72 N ATOM 1496 CA TYR B 66 15.449 -0.357 -3.758 1.00 0.72 C ATOM 1497 C TYR B 66 14.610 0.690 -3.040 1.00 0.59 C ATOM 1498 O TYR B 66 14.864 1.005 -1.879 1.00 0.54 O ATOM 1499 CB TYR B 66 14.814 -1.736 -3.546 1.00 0.83 C ATOM 1500 CG TYR B 66 15.600 -2.893 -4.121 1.00 1.06 C ATOM 1501 CD1 TYR B 66 15.944 -2.932 -5.467 1.00 1.21 C ATOM 1502 CD2 TYR B 66 15.991 -3.955 -3.314 1.00 1.26 C ATOM 1503 CE1 TYR B 66 16.651 -3.998 -5.991 1.00 1.48 C ATOM 1504 CE2 TYR B 66 16.698 -5.021 -3.831 1.00 1.52 C ATOM 1505 CZ TYR B 66 17.027 -5.038 -5.168 1.00 1.62 C ATOM 1506 OH TYR B 66 17.726 -6.104 -5.686 1.00 1.92 O ATOM 0 H TYR B 66 16.910 -0.492 -2.262 1.00 0.72 H new ATOM 0 HA TYR B 66 15.477 -0.141 -4.826 1.00 0.72 H new ATOM 0 HB2 TYR B 66 14.684 -1.900 -2.476 1.00 0.83 H new ATOM 0 HB3 TYR B 66 13.819 -1.734 -3.991 1.00 0.83 H new ATOM 0 HD1 TYR B 66 15.654 -2.117 -6.114 1.00 1.21 H new ATOM 0 HD2 TYR B 66 15.737 -3.946 -2.264 1.00 1.26 H new ATOM 0 HE1 TYR B 66 16.908 -4.016 -7.040 1.00 1.48 H new ATOM 0 HE2 TYR B 66 16.992 -5.839 -3.190 1.00 1.52 H new ATOM 0 HH TYR B 66 17.914 -6.749 -4.973 1.00 1.92 H new ATOM 1516 N VAL B 67 13.618 1.229 -3.733 1.00 0.71 N ATOM 1517 CA VAL B 67 12.732 2.226 -3.149 1.00 0.61 C ATOM 1518 C VAL B 67 11.289 1.919 -3.523 1.00 0.64 C ATOM 1519 O VAL B 67 11.003 1.516 -4.653 1.00 0.73 O ATOM 1520 CB VAL B 67 13.073 3.671 -3.594 1.00 0.65 C ATOM 1521 CG1 VAL B 67 14.485 4.052 -3.174 1.00 0.70 C ATOM 1522 CG2 VAL B 67 12.890 3.839 -5.097 1.00 0.73 C ATOM 0 H VAL B 67 13.406 0.992 -4.702 1.00 0.71 H new ATOM 0 HA VAL B 67 12.870 2.173 -2.069 1.00 0.61 H new ATOM 0 HB VAL B 67 12.379 4.346 -3.094 1.00 0.65 H new ATOM 0 HG11 VAL B 67 14.699 5.070 -3.498 1.00 0.70 H new ATOM 0 HG12 VAL B 67 14.571 3.991 -2.089 1.00 0.70 H new ATOM 0 HG13 VAL B 67 15.198 3.368 -3.633 1.00 0.70 H new ATOM 0 HG21 VAL B 67 13.136 4.862 -5.381 1.00 0.73 H new ATOM 0 HG22 VAL B 67 13.548 3.148 -5.623 1.00 0.73 H new ATOM 0 HG23 VAL B 67 11.854 3.628 -5.363 1.00 0.73 H new ATOM 1532 N PHE B 68 10.389 2.085 -2.573 1.00 0.64 N ATOM 1533 CA PHE B 68 8.981 1.831 -2.818 1.00 0.73 C ATOM 1534 C PHE B 68 8.176 3.110 -2.634 1.00 0.72 C ATOM 1535 O PHE B 68 8.256 3.762 -1.590 1.00 0.65 O ATOM 1536 CB PHE B 68 8.460 0.729 -1.887 1.00 0.81 C ATOM 1537 CG PHE B 68 7.037 0.319 -2.166 1.00 0.96 C ATOM 1538 CD1 PHE B 68 6.621 0.043 -3.458 1.00 0.98 C ATOM 1539 CD2 PHE B 68 6.117 0.219 -1.135 1.00 1.19 C ATOM 1540 CE1 PHE B 68 5.316 -0.330 -3.716 1.00 1.18 C ATOM 1541 CE2 PHE B 68 4.809 -0.152 -1.386 1.00 1.37 C ATOM 1542 CZ PHE B 68 4.408 -0.426 -2.678 1.00 1.36 C ATOM 0 H PHE B 68 10.606 2.394 -1.626 1.00 0.64 H new ATOM 0 HA PHE B 68 8.864 1.491 -3.847 1.00 0.73 H new ATOM 0 HB2 PHE B 68 9.105 -0.145 -1.978 1.00 0.81 H new ATOM 0 HB3 PHE B 68 8.533 1.073 -0.855 1.00 0.81 H new ATOM 0 HD1 PHE B 68 7.325 0.120 -4.273 1.00 0.98 H new ATOM 0 HD2 PHE B 68 6.425 0.434 -0.122 1.00 1.19 H new ATOM 0 HE1 PHE B 68 5.006 -0.546 -4.728 1.00 1.18 H new ATOM 0 HE2 PHE B 68 4.102 -0.227 -0.573 1.00 1.37 H new ATOM 0 HZ PHE B 68 3.387 -0.715 -2.878 1.00 1.36 H new ATOM 1552 N SER B 69 7.433 3.480 -3.666 1.00 0.84 N ATOM 1553 CA SER B 69 6.605 4.672 -3.631 1.00 0.90 C ATOM 1554 C SER B 69 5.393 4.444 -2.741 1.00 0.94 C ATOM 1555 O SER B 69 4.522 3.633 -3.060 1.00 1.09 O ATOM 1556 CB SER B 69 6.156 5.031 -5.048 1.00 1.10 C ATOM 1557 OG SER B 69 7.191 4.778 -5.988 1.00 1.04 O ATOM 0 H SER B 69 7.388 2.965 -4.545 1.00 0.84 H new ATOM 0 HA SER B 69 7.188 5.497 -3.221 1.00 0.90 H new ATOM 0 HB2 SER B 69 5.271 4.452 -5.311 1.00 1.10 H new ATOM 0 HB3 SER B 69 5.872 6.083 -5.088 1.00 1.10 H new ATOM 0 HG SER B 69 6.881 5.013 -6.887 1.00 1.04 H new ATOM 1563 N ILE B 70 5.346 5.151 -1.623 1.00 0.84 N ATOM 1564 CA ILE B 70 4.244 5.018 -0.688 1.00 0.91 C ATOM 1565 C ILE B 70 3.140 6.006 -1.038 1.00 1.06 C ATOM 1566 O ILE B 70 3.076 7.111 -0.492 1.00 1.32 O ATOM 1567 CB ILE B 70 4.691 5.242 0.774 1.00 0.88 C ATOM 1568 CG1 ILE B 70 5.969 4.452 1.080 1.00 0.74 C ATOM 1569 CG2 ILE B 70 3.579 4.849 1.738 1.00 1.05 C ATOM 1570 CD1 ILE B 70 5.808 2.951 0.953 1.00 1.25 C ATOM 0 H ILE B 70 6.060 5.823 -1.342 1.00 0.84 H new ATOM 0 HA ILE B 70 3.871 3.997 -0.771 1.00 0.91 H new ATOM 0 HB ILE B 70 4.906 6.303 0.905 1.00 0.88 H new ATOM 0 HG12 ILE B 70 6.758 4.781 0.404 1.00 0.74 H new ATOM 0 HG13 ILE B 70 6.297 4.688 2.092 1.00 0.74 H new ATOM 0 HG21 ILE B 70 3.911 5.013 2.763 1.00 1.05 H new ATOM 0 HG22 ILE B 70 2.695 5.456 1.541 1.00 1.05 H new ATOM 0 HG23 ILE B 70 3.334 3.796 1.600 1.00 1.05 H new ATOM 0 HD11 ILE B 70 6.754 2.463 1.185 1.00 1.25 H new ATOM 0 HD12 ILE B 70 5.042 2.607 1.648 1.00 1.25 H new ATOM 0 HD13 ILE B 70 5.511 2.702 -0.066 1.00 1.25 H new ATOM 1582 N ASP B 71 2.280 5.604 -1.962 1.00 0.97 N ATOM 1583 CA ASP B 71 1.169 6.439 -2.398 1.00 1.14 C ATOM 1584 C ASP B 71 0.025 6.358 -1.392 1.00 1.17 C ATOM 1585 O ASP B 71 -1.051 5.833 -1.671 1.00 1.23 O ATOM 1586 CB ASP B 71 0.698 6.040 -3.809 1.00 1.26 C ATOM 1587 CG ASP B 71 0.339 4.568 -3.938 1.00 1.04 C ATOM 1588 OD1 ASP B 71 1.106 3.708 -3.451 1.00 1.52 O ATOM 1589 OD2 ASP B 71 -0.701 4.256 -4.548 1.00 1.48 O ATOM 0 H ASP B 71 2.331 4.698 -2.428 1.00 0.97 H new ATOM 0 HA ASP B 71 1.511 7.473 -2.448 1.00 1.14 H new ATOM 0 HB2 ASP B 71 -0.170 6.642 -4.077 1.00 1.26 H new ATOM 0 HB3 ASP B 71 1.484 6.278 -4.526 1.00 1.26 H new ATOM 1594 N VAL B 72 0.287 6.872 -0.202 1.00 1.48 N ATOM 1595 CA VAL B 72 -0.695 6.874 0.869 1.00 1.59 C ATOM 1596 C VAL B 72 -1.546 8.144 0.820 1.00 1.63 C ATOM 1597 O VAL B 72 -2.620 8.212 1.416 1.00 1.86 O ATOM 1598 CB VAL B 72 -0.001 6.746 2.249 1.00 1.61 C ATOM 1599 CG1 VAL B 72 0.776 8.009 2.593 1.00 1.82 C ATOM 1600 CG2 VAL B 72 -1.008 6.415 3.338 1.00 1.87 C ATOM 0 H VAL B 72 1.180 7.297 0.048 1.00 1.48 H new ATOM 0 HA VAL B 72 -1.349 6.013 0.729 1.00 1.59 H new ATOM 0 HB VAL B 72 0.710 5.922 2.187 1.00 1.61 H new ATOM 0 HG11 VAL B 72 1.252 7.890 3.566 1.00 1.82 H new ATOM 0 HG12 VAL B 72 1.539 8.184 1.835 1.00 1.82 H new ATOM 0 HG13 VAL B 72 0.094 8.859 2.624 1.00 1.82 H new ATOM 0 HG21 VAL B 72 -0.494 6.331 4.296 1.00 1.87 H new ATOM 0 HG22 VAL B 72 -1.755 7.207 3.395 1.00 1.87 H new ATOM 0 HG23 VAL B 72 -1.498 5.470 3.105 1.00 1.87 H new ATOM 1610 N ASN B 73 -1.068 9.143 0.089 1.00 1.47 N ATOM 1611 CA ASN B 73 -1.778 10.408 -0.032 1.00 1.57 C ATOM 1612 C ASN B 73 -1.660 10.948 -1.451 1.00 1.59 C ATOM 1613 O ASN B 73 -0.677 10.675 -2.146 1.00 1.71 O ATOM 1614 CB ASN B 73 -1.237 11.437 0.974 1.00 1.67 C ATOM 1615 CG ASN B 73 0.126 11.999 0.585 1.00 1.70 C ATOM 1616 OD1 ASN B 73 0.221 12.957 -0.179 1.00 1.96 O ATOM 1617 ND2 ASN B 73 1.190 11.418 1.123 1.00 1.91 N ATOM 0 H ASN B 73 -0.190 9.101 -0.429 1.00 1.47 H new ATOM 0 HA ASN B 73 -2.830 10.230 0.191 1.00 1.57 H new ATOM 0 HB2 ASN B 73 -1.949 12.257 1.063 1.00 1.67 H new ATOM 0 HB3 ASN B 73 -1.164 10.971 1.957 1.00 1.67 H new ATOM 0 HD21 ASN B 73 2.125 11.765 0.906 1.00 1.91 H new ATOM 0 HD22 ASN B 73 1.074 10.625 1.753 1.00 1.91 H new ATOM 1624 N GLU B 74 -2.666 11.700 -1.876 1.00 1.59 N ATOM 1625 CA GLU B 74 -2.680 12.287 -3.207 1.00 1.64 C ATOM 1626 C GLU B 74 -2.675 13.808 -3.101 1.00 1.66 C ATOM 1627 O GLU B 74 -3.645 14.409 -2.640 1.00 1.76 O ATOM 1628 CB GLU B 74 -3.912 11.823 -3.989 1.00 1.78 C ATOM 1629 CG GLU B 74 -4.032 10.311 -4.106 1.00 2.27 C ATOM 1630 CD GLU B 74 -4.466 9.868 -5.488 1.00 2.16 C ATOM 1631 OE1 GLU B 74 -3.669 10.009 -6.439 1.00 2.14 O ATOM 1632 OE2 GLU B 74 -5.609 9.386 -5.636 1.00 2.62 O ATOM 0 H GLU B 74 -3.488 11.918 -1.313 1.00 1.59 H new ATOM 0 HA GLU B 74 -1.788 11.959 -3.741 1.00 1.64 H new ATOM 0 HB2 GLU B 74 -4.807 12.213 -3.503 1.00 1.78 H new ATOM 0 HB3 GLU B 74 -3.879 12.254 -4.990 1.00 1.78 H new ATOM 0 HG2 GLU B 74 -3.072 9.854 -3.867 1.00 2.27 H new ATOM 0 HG3 GLU B 74 -4.750 9.949 -3.370 1.00 2.27 H new ATOM 1639 N GLY B 75 -1.576 14.422 -3.508 1.00 1.63 N ATOM 1640 CA GLY B 75 -1.464 15.865 -3.448 1.00 1.68 C ATOM 1641 C GLY B 75 -0.758 16.325 -2.189 1.00 1.56 C ATOM 1642 O GLY B 75 -1.259 17.189 -1.465 1.00 1.71 O ATOM 0 H GLY B 75 -0.755 13.945 -3.881 1.00 1.63 H new ATOM 0 HA2 GLY B 75 -0.919 16.223 -4.321 1.00 1.68 H new ATOM 0 HA3 GLY B 75 -2.459 16.308 -3.489 1.00 1.68 H new ATOM 1646 N GLY B 76 0.397 15.739 -1.921 1.00 1.59 N ATOM 1647 CA GLY B 76 1.160 16.094 -0.745 1.00 1.48 C ATOM 1648 C GLY B 76 2.567 15.531 -0.796 1.00 1.42 C ATOM 1649 O GLY B 76 3.162 15.456 -1.873 1.00 1.49 O ATOM 0 H GLY B 76 0.823 15.017 -2.503 1.00 1.59 H new ATOM 0 HA2 GLY B 76 1.206 17.179 -0.655 1.00 1.48 H new ATOM 0 HA3 GLY B 76 0.651 15.722 0.144 1.00 1.48 H new ATOM 1653 N PRO B 77 3.129 15.123 0.353 1.00 1.37 N ATOM 1654 CA PRO B 77 4.479 14.566 0.423 1.00 1.36 C ATOM 1655 C PRO B 77 4.552 13.155 -0.157 1.00 1.22 C ATOM 1656 O PRO B 77 3.929 12.224 0.364 1.00 1.17 O ATOM 1657 CB PRO B 77 4.797 14.537 1.928 1.00 1.41 C ATOM 1658 CG PRO B 77 3.678 15.267 2.599 1.00 1.47 C ATOM 1659 CD PRO B 77 2.498 15.171 1.677 1.00 1.43 C ATOM 0 HA PRO B 77 5.185 15.159 -0.158 1.00 1.36 H new ATOM 0 HB2 PRO B 77 4.868 13.512 2.292 1.00 1.41 H new ATOM 0 HB3 PRO B 77 5.754 15.016 2.134 1.00 1.41 H new ATOM 0 HG2 PRO B 77 3.451 14.823 3.568 1.00 1.47 H new ATOM 0 HG3 PRO B 77 3.946 16.308 2.780 1.00 1.47 H new ATOM 0 HD2 PRO B 77 1.901 14.281 1.874 1.00 1.43 H new ATOM 0 HD3 PRO B 77 1.833 16.029 1.778 1.00 1.43 H new ATOM 1667 N SER B 78 5.291 13.005 -1.247 1.00 1.24 N ATOM 1668 CA SER B 78 5.461 11.708 -1.881 1.00 1.16 C ATOM 1669 C SER B 78 6.451 10.866 -1.079 1.00 0.96 C ATOM 1670 O SER B 78 7.665 10.995 -1.244 1.00 0.91 O ATOM 1671 CB SER B 78 5.965 11.889 -3.315 1.00 1.33 C ATOM 1672 OG SER B 78 5.394 13.041 -3.917 1.00 1.66 O ATOM 0 H SER B 78 5.783 13.769 -1.711 1.00 1.24 H new ATOM 0 HA SER B 78 4.500 11.195 -1.908 1.00 1.16 H new ATOM 0 HB2 SER B 78 7.051 11.977 -3.313 1.00 1.33 H new ATOM 0 HB3 SER B 78 5.717 11.006 -3.905 1.00 1.33 H new ATOM 0 HG SER B 78 5.734 13.135 -4.832 1.00 1.66 H new ATOM 1678 N TYR B 79 5.929 10.032 -0.191 1.00 0.93 N ATOM 1679 CA TYR B 79 6.764 9.185 0.646 1.00 0.77 C ATOM 1680 C TYR B 79 7.428 8.081 -0.174 1.00 0.70 C ATOM 1681 O TYR B 79 6.780 7.417 -0.983 1.00 0.70 O ATOM 1682 CB TYR B 79 5.930 8.567 1.771 1.00 0.82 C ATOM 1683 CG TYR B 79 5.457 9.556 2.816 1.00 0.98 C ATOM 1684 CD1 TYR B 79 6.337 10.454 3.404 1.00 1.03 C ATOM 1685 CD2 TYR B 79 4.127 9.581 3.221 1.00 1.22 C ATOM 1686 CE1 TYR B 79 5.905 11.351 4.362 1.00 1.25 C ATOM 1687 CE2 TYR B 79 3.688 10.475 4.180 1.00 1.40 C ATOM 1688 CZ TYR B 79 4.581 11.357 4.749 1.00 1.40 C ATOM 1689 OH TYR B 79 4.154 12.245 5.709 1.00 1.64 O ATOM 0 H TYR B 79 4.927 9.924 -0.032 1.00 0.93 H new ATOM 0 HA TYR B 79 7.547 9.808 1.078 1.00 0.77 H new ATOM 0 HB2 TYR B 79 5.061 8.075 1.334 1.00 0.82 H new ATOM 0 HB3 TYR B 79 6.521 7.793 2.262 1.00 0.82 H new ATOM 0 HD1 TYR B 79 7.376 10.452 3.108 1.00 1.03 H new ATOM 0 HD2 TYR B 79 3.425 8.890 2.779 1.00 1.22 H new ATOM 0 HE1 TYR B 79 6.602 12.046 4.807 1.00 1.25 H new ATOM 0 HE2 TYR B 79 2.651 10.482 4.482 1.00 1.40 H new ATOM 0 HH TYR B 79 3.195 12.120 5.866 1.00 1.64 H new ATOM 1699 N LYS B 80 8.723 7.899 0.037 1.00 0.71 N ATOM 1700 CA LYS B 80 9.485 6.877 -0.661 1.00 0.68 C ATOM 1701 C LYS B 80 10.289 6.064 0.345 1.00 0.61 C ATOM 1702 O LYS B 80 11.208 6.584 0.973 1.00 0.62 O ATOM 1703 CB LYS B 80 10.417 7.520 -1.692 1.00 0.72 C ATOM 1704 CG LYS B 80 9.686 8.110 -2.888 1.00 0.93 C ATOM 1705 CD LYS B 80 9.508 7.081 -3.995 1.00 1.14 C ATOM 1706 CE LYS B 80 10.685 7.088 -4.963 1.00 1.42 C ATOM 1707 NZ LYS B 80 10.574 8.179 -5.969 1.00 2.09 N ATOM 0 H LYS B 80 9.272 8.453 0.694 1.00 0.71 H new ATOM 0 HA LYS B 80 8.797 6.215 -1.186 1.00 0.68 H new ATOM 0 HB2 LYS B 80 10.996 8.306 -1.206 1.00 0.72 H new ATOM 0 HB3 LYS B 80 11.128 6.772 -2.044 1.00 0.72 H new ATOM 0 HG2 LYS B 80 8.710 8.480 -2.573 1.00 0.93 H new ATOM 0 HG3 LYS B 80 10.243 8.965 -3.271 1.00 0.93 H new ATOM 0 HD2 LYS B 80 9.403 6.089 -3.556 1.00 1.14 H new ATOM 0 HD3 LYS B 80 8.587 7.288 -4.540 1.00 1.14 H new ATOM 0 HE2 LYS B 80 11.613 7.204 -4.404 1.00 1.42 H new ATOM 0 HE3 LYS B 80 10.739 6.127 -5.475 1.00 1.42 H new ATOM 0 HZ1 LYS B 80 11.395 8.147 -6.607 1.00 2.09 H new ATOM 0 HZ2 LYS B 80 9.701 8.055 -6.521 1.00 2.09 H new ATOM 0 HZ3 LYS B 80 10.549 9.098 -5.483 1.00 2.09 H new ATOM 1721 N LEU B 81 9.930 4.800 0.506 1.00 0.59 N ATOM 1722 CA LEU B 81 10.610 3.930 1.455 1.00 0.58 C ATOM 1723 C LEU B 81 11.861 3.317 0.834 1.00 0.52 C ATOM 1724 O LEU B 81 11.783 2.628 -0.183 1.00 0.50 O ATOM 1725 CB LEU B 81 9.666 2.823 1.936 1.00 0.65 C ATOM 1726 CG LEU B 81 10.113 2.077 3.198 1.00 0.73 C ATOM 1727 CD1 LEU B 81 8.906 1.668 4.024 1.00 0.81 C ATOM 1728 CD2 LEU B 81 10.946 0.855 2.834 1.00 0.96 C ATOM 0 H LEU B 81 9.171 4.353 -0.008 1.00 0.59 H new ATOM 0 HA LEU B 81 10.912 4.535 2.310 1.00 0.58 H new ATOM 0 HB2 LEU B 81 8.685 3.261 2.122 1.00 0.65 H new ATOM 0 HB3 LEU B 81 9.544 2.099 1.131 1.00 0.65 H new ATOM 0 HG LEU B 81 10.732 2.748 3.793 1.00 0.73 H new ATOM 0 HD11 LEU B 81 9.239 1.139 4.917 1.00 0.81 H new ATOM 0 HD12 LEU B 81 8.347 2.557 4.316 1.00 0.81 H new ATOM 0 HD13 LEU B 81 8.265 1.014 3.433 1.00 0.81 H new ATOM 0 HD21 LEU B 81 11.253 0.340 3.744 1.00 0.96 H new ATOM 0 HD22 LEU B 81 10.352 0.180 2.218 1.00 0.96 H new ATOM 0 HD23 LEU B 81 11.830 1.169 2.279 1.00 0.96 H new ATOM 1740 N PRO B 82 13.028 3.583 1.432 1.00 0.57 N ATOM 1741 CA PRO B 82 14.299 3.053 0.964 1.00 0.58 C ATOM 1742 C PRO B 82 14.653 1.718 1.624 1.00 0.59 C ATOM 1743 O PRO B 82 14.579 1.578 2.845 1.00 0.67 O ATOM 1744 CB PRO B 82 15.274 4.139 1.399 1.00 0.67 C ATOM 1745 CG PRO B 82 14.705 4.664 2.678 1.00 0.72 C ATOM 1746 CD PRO B 82 13.211 4.451 2.612 1.00 0.67 C ATOM 0 HA PRO B 82 14.301 2.842 -0.105 1.00 0.58 H new ATOM 0 HB2 PRO B 82 16.276 3.737 1.546 1.00 0.67 H new ATOM 0 HB3 PRO B 82 15.353 4.925 0.648 1.00 0.67 H new ATOM 0 HG2 PRO B 82 15.132 4.142 3.534 1.00 0.72 H new ATOM 0 HG3 PRO B 82 14.940 5.721 2.800 1.00 0.72 H new ATOM 0 HD2 PRO B 82 12.835 3.977 3.519 1.00 0.67 H new ATOM 0 HD3 PRO B 82 12.677 5.395 2.500 1.00 0.67 H new ATOM 1754 N TYR B 83 15.039 0.743 0.814 1.00 0.60 N ATOM 1755 CA TYR B 83 15.410 -0.571 1.322 1.00 0.63 C ATOM 1756 C TYR B 83 16.754 -1.010 0.746 1.00 0.67 C ATOM 1757 O TYR B 83 17.023 -0.824 -0.440 1.00 0.66 O ATOM 1758 CB TYR B 83 14.323 -1.601 0.983 1.00 0.63 C ATOM 1759 CG TYR B 83 14.648 -3.011 1.438 1.00 0.69 C ATOM 1760 CD1 TYR B 83 14.837 -3.304 2.783 1.00 0.72 C ATOM 1761 CD2 TYR B 83 14.762 -4.047 0.520 1.00 0.73 C ATOM 1762 CE1 TYR B 83 15.135 -4.588 3.200 1.00 0.79 C ATOM 1763 CE2 TYR B 83 15.059 -5.333 0.929 1.00 0.80 C ATOM 1764 CZ TYR B 83 15.244 -5.598 2.270 1.00 0.83 C ATOM 1765 OH TYR B 83 15.541 -6.877 2.681 1.00 0.91 O ATOM 0 H TYR B 83 15.104 0.837 -0.200 1.00 0.60 H new ATOM 0 HA TYR B 83 15.504 -0.506 2.406 1.00 0.63 H new ATOM 0 HB2 TYR B 83 13.385 -1.289 1.442 1.00 0.63 H new ATOM 0 HB3 TYR B 83 14.164 -1.605 -0.095 1.00 0.63 H new ATOM 0 HD1 TYR B 83 14.750 -2.515 3.515 1.00 0.72 H new ATOM 0 HD2 TYR B 83 14.616 -3.844 -0.531 1.00 0.73 H new ATOM 0 HE1 TYR B 83 15.282 -4.798 4.249 1.00 0.79 H new ATOM 0 HE2 TYR B 83 15.146 -6.127 0.202 1.00 0.80 H new ATOM 0 HH TYR B 83 15.875 -6.855 3.602 1.00 0.91 H new ATOM 1775 N ASN B 84 17.600 -1.571 1.599 1.00 0.77 N ATOM 1776 CA ASN B 84 18.913 -2.050 1.178 1.00 0.84 C ATOM 1777 C ASN B 84 18.918 -3.574 1.149 1.00 0.81 C ATOM 1778 O ASN B 84 18.120 -4.213 1.832 1.00 0.80 O ATOM 1779 CB ASN B 84 20.023 -1.516 2.095 1.00 0.93 C ATOM 1780 CG ASN B 84 19.893 -1.986 3.528 1.00 1.33 C ATOM 1781 OD1 ASN B 84 20.364 -3.065 3.886 1.00 2.02 O ATOM 1782 ND2 ASN B 84 19.266 -1.170 4.359 1.00 1.93 N ATOM 0 H ASN B 84 17.401 -1.707 2.590 1.00 0.77 H new ATOM 0 HA ASN B 84 19.114 -1.675 0.174 1.00 0.84 H new ATOM 0 HB2 ASN B 84 20.991 -1.830 1.703 1.00 0.93 H new ATOM 0 HB3 ASN B 84 20.009 -0.426 2.075 1.00 0.93 H new ATOM 0 HD21 ASN B 84 19.157 -1.426 5.340 1.00 1.93 H new ATOM 0 HD22 ASN B 84 18.891 -0.285 4.018 1.00 1.93 H new ATOM 1789 N THR B 85 19.824 -4.150 0.373 1.00 0.83 N ATOM 1790 CA THR B 85 19.917 -5.601 0.220 1.00 0.83 C ATOM 1791 C THR B 85 20.518 -6.313 1.441 1.00 0.83 C ATOM 1792 O THR B 85 21.059 -7.412 1.315 1.00 0.96 O ATOM 1793 CB THR B 85 20.745 -5.957 -1.032 1.00 0.94 C ATOM 1794 OG1 THR B 85 21.856 -5.055 -1.171 1.00 1.11 O ATOM 1795 CG2 THR B 85 19.880 -5.900 -2.282 1.00 1.17 C ATOM 0 H THR B 85 20.515 -3.630 -0.168 1.00 0.83 H new ATOM 0 HA THR B 85 18.891 -5.955 0.116 1.00 0.83 H new ATOM 0 HB THR B 85 21.122 -6.972 -0.911 1.00 0.94 H new ATOM 0 HG1 THR B 85 21.558 -4.235 -1.617 1.00 1.11 H new ATOM 0 HG21 THR B 85 20.483 -6.154 -3.154 1.00 1.17 H new ATOM 0 HG22 THR B 85 19.059 -6.611 -2.189 1.00 1.17 H new ATOM 0 HG23 THR B 85 19.477 -4.894 -2.400 1.00 1.17 H new ATOM 1803 N SER B 86 20.424 -5.707 2.617 1.00 0.84 N ATOM 1804 CA SER B 86 20.956 -6.316 3.829 1.00 0.88 C ATOM 1805 C SER B 86 20.171 -5.863 5.057 1.00 0.91 C ATOM 1806 O SER B 86 20.713 -5.797 6.162 1.00 1.14 O ATOM 1807 CB SER B 86 22.434 -5.950 3.996 1.00 0.93 C ATOM 1808 OG SER B 86 23.201 -6.397 2.889 1.00 1.23 O ATOM 0 H SER B 86 19.986 -4.797 2.758 1.00 0.84 H new ATOM 0 HA SER B 86 20.859 -7.398 3.736 1.00 0.88 H new ATOM 0 HB2 SER B 86 22.535 -4.870 4.099 1.00 0.93 H new ATOM 0 HB3 SER B 86 22.820 -6.395 4.913 1.00 0.93 H new ATOM 0 HG SER B 86 24.140 -6.149 3.020 1.00 1.23 H new ATOM 1814 N ASP B 87 18.890 -5.569 4.875 1.00 0.85 N ATOM 1815 CA ASP B 87 18.066 -5.106 5.984 1.00 0.88 C ATOM 1816 C ASP B 87 16.859 -6.006 6.196 1.00 0.90 C ATOM 1817 O ASP B 87 16.548 -6.858 5.361 1.00 0.94 O ATOM 1818 CB ASP B 87 17.605 -3.672 5.732 1.00 0.89 C ATOM 1819 CG ASP B 87 17.849 -2.768 6.921 1.00 0.82 C ATOM 1820 OD1 ASP B 87 18.973 -2.228 7.041 1.00 1.13 O ATOM 1821 OD2 ASP B 87 16.922 -2.589 7.736 1.00 1.09 O ATOM 0 H ASP B 87 18.404 -5.642 3.981 1.00 0.85 H new ATOM 0 HA ASP B 87 18.675 -5.140 6.887 1.00 0.88 H new ATOM 0 HB2 ASP B 87 18.128 -3.273 4.863 1.00 0.89 H new ATOM 0 HB3 ASP B 87 16.542 -3.672 5.492 1.00 0.89 H new ATOM 1826 N ASP B 88 16.179 -5.807 7.315 1.00 0.94 N ATOM 1827 CA ASP B 88 15.001 -6.595 7.648 1.00 0.97 C ATOM 1828 C ASP B 88 13.750 -5.737 7.510 1.00 0.93 C ATOM 1829 O ASP B 88 13.717 -4.620 8.016 1.00 0.91 O ATOM 1830 CB ASP B 88 15.112 -7.150 9.069 1.00 1.06 C ATOM 1831 CG ASP B 88 14.799 -8.630 9.131 1.00 1.42 C ATOM 1832 OD1 ASP B 88 14.649 -9.251 8.062 1.00 1.60 O ATOM 1833 OD2 ASP B 88 14.701 -9.182 10.249 1.00 1.90 O ATOM 0 H ASP B 88 16.424 -5.103 8.011 1.00 0.94 H new ATOM 0 HA ASP B 88 14.933 -7.435 6.957 1.00 0.97 H new ATOM 0 HB2 ASP B 88 16.120 -6.977 9.447 1.00 1.06 H new ATOM 0 HB3 ASP B 88 14.429 -6.608 9.723 1.00 1.06 H new ATOM 1838 N PRO B 89 12.710 -6.261 6.830 1.00 0.94 N ATOM 1839 CA PRO B 89 11.444 -5.553 6.577 1.00 0.93 C ATOM 1840 C PRO B 89 10.971 -4.649 7.716 1.00 0.88 C ATOM 1841 O PRO B 89 10.830 -3.441 7.539 1.00 0.82 O ATOM 1842 CB PRO B 89 10.461 -6.701 6.366 1.00 0.99 C ATOM 1843 CG PRO B 89 11.274 -7.778 5.735 1.00 1.06 C ATOM 1844 CD PRO B 89 12.688 -7.614 6.242 1.00 0.99 C ATOM 0 HA PRO B 89 11.545 -4.862 5.740 1.00 0.93 H new ATOM 0 HB2 PRO B 89 10.029 -7.032 7.310 1.00 0.99 H new ATOM 0 HB3 PRO B 89 9.633 -6.401 5.724 1.00 0.99 H new ATOM 0 HG2 PRO B 89 10.882 -8.761 5.996 1.00 1.06 H new ATOM 0 HG3 PRO B 89 11.242 -7.700 4.648 1.00 1.06 H new ATOM 0 HD2 PRO B 89 12.935 -8.374 6.983 1.00 0.99 H new ATOM 0 HD3 PRO B 89 13.414 -7.708 5.434 1.00 0.99 H new ATOM 1852 N TRP B 90 10.743 -5.234 8.881 1.00 0.93 N ATOM 1853 CA TRP B 90 10.260 -4.486 10.040 1.00 0.92 C ATOM 1854 C TRP B 90 11.260 -3.426 10.505 1.00 0.91 C ATOM 1855 O TRP B 90 10.864 -2.356 10.961 1.00 0.92 O ATOM 1856 CB TRP B 90 9.946 -5.445 11.192 1.00 1.02 C ATOM 1857 CG TRP B 90 10.605 -6.785 11.047 1.00 1.06 C ATOM 1858 CD1 TRP B 90 11.893 -7.102 11.364 1.00 1.19 C ATOM 1859 CD2 TRP B 90 10.009 -7.985 10.540 1.00 1.27 C ATOM 1860 NE1 TRP B 90 12.135 -8.422 11.078 1.00 1.42 N ATOM 1861 CE2 TRP B 90 10.995 -8.987 10.576 1.00 1.46 C ATOM 1862 CE3 TRP B 90 8.736 -8.309 10.061 1.00 1.50 C ATOM 1863 CZ2 TRP B 90 10.750 -10.287 10.145 1.00 1.81 C ATOM 1864 CZ3 TRP B 90 8.493 -9.602 9.637 1.00 1.84 C ATOM 1865 CH2 TRP B 90 9.496 -10.577 9.685 1.00 1.97 C ATOM 0 H TRP B 90 10.884 -6.229 9.053 1.00 0.93 H new ATOM 0 HA TRP B 90 9.352 -3.967 9.733 1.00 0.92 H new ATOM 0 HB2 TRP B 90 10.265 -4.991 12.130 1.00 1.02 H new ATOM 0 HB3 TRP B 90 8.867 -5.584 11.256 1.00 1.02 H new ATOM 0 HD1 TRP B 90 12.616 -6.415 11.779 1.00 1.19 H new ATOM 0 HE1 TRP B 90 13.023 -8.905 11.217 1.00 1.42 H new ATOM 0 HE3 TRP B 90 7.957 -7.562 10.023 1.00 1.50 H new ATOM 0 HZ2 TRP B 90 11.523 -11.040 10.173 1.00 1.81 H new ATOM 0 HZ3 TRP B 90 7.514 -9.864 9.263 1.00 1.84 H new ATOM 0 HH2 TRP B 90 9.274 -11.580 9.351 1.00 1.97 H new ATOM 1876 N LEU B 91 12.548 -3.716 10.380 1.00 0.95 N ATOM 1877 CA LEU B 91 13.585 -2.782 10.809 1.00 0.97 C ATOM 1878 C LEU B 91 13.659 -1.572 9.881 1.00 0.88 C ATOM 1879 O LEU B 91 13.596 -0.427 10.339 1.00 0.88 O ATOM 1880 CB LEU B 91 14.952 -3.478 10.871 1.00 1.07 C ATOM 1881 CG LEU B 91 15.090 -4.567 11.941 1.00 1.11 C ATOM 1882 CD1 LEU B 91 16.498 -5.141 11.935 1.00 1.24 C ATOM 1883 CD2 LEU B 91 14.749 -4.016 13.320 1.00 1.17 C ATOM 0 H LEU B 91 12.901 -4.588 9.986 1.00 0.95 H new ATOM 0 HA LEU B 91 13.320 -2.434 11.807 1.00 0.97 H new ATOM 0 HB2 LEU B 91 15.159 -3.922 9.897 1.00 1.07 H new ATOM 0 HB3 LEU B 91 15.718 -2.722 11.046 1.00 1.07 H new ATOM 0 HG LEU B 91 14.386 -5.366 11.707 1.00 1.11 H new ATOM 0 HD11 LEU B 91 16.580 -5.913 12.700 1.00 1.24 H new ATOM 0 HD12 LEU B 91 16.710 -5.575 10.958 1.00 1.24 H new ATOM 0 HD13 LEU B 91 17.215 -4.347 12.143 1.00 1.24 H new ATOM 0 HD21 LEU B 91 14.854 -4.806 14.064 1.00 1.17 H new ATOM 0 HD22 LEU B 91 15.427 -3.197 13.562 1.00 1.17 H new ATOM 0 HD23 LEU B 91 13.722 -3.650 13.322 1.00 1.17 H new ATOM 1895 N THR B 92 13.775 -1.825 8.580 1.00 0.81 N ATOM 1896 CA THR B 92 13.866 -0.749 7.600 1.00 0.74 C ATOM 1897 C THR B 92 12.585 0.076 7.572 1.00 0.69 C ATOM 1898 O THR B 92 12.627 1.307 7.481 1.00 0.68 O ATOM 1899 CB THR B 92 14.147 -1.298 6.193 1.00 0.73 C ATOM 1900 OG1 THR B 92 14.677 -2.624 6.290 1.00 0.79 O ATOM 1901 CG2 THR B 92 15.135 -0.407 5.453 1.00 0.84 C ATOM 0 H THR B 92 13.808 -2.763 8.182 1.00 0.81 H new ATOM 0 HA THR B 92 14.696 -0.110 7.902 1.00 0.74 H new ATOM 0 HB THR B 92 13.210 -1.316 5.636 1.00 0.73 H new ATOM 0 HG1 THR B 92 15.394 -2.642 6.957 1.00 0.79 H new ATOM 0 HG21 THR B 92 15.319 -0.815 4.459 1.00 0.84 H new ATOM 0 HG22 THR B 92 14.722 0.597 5.362 1.00 0.84 H new ATOM 0 HG23 THR B 92 16.073 -0.365 6.007 1.00 0.84 H new ATOM 1909 N ALA B 93 11.448 -0.605 7.663 1.00 0.72 N ATOM 1910 CA ALA B 93 10.159 0.066 7.660 1.00 0.74 C ATOM 1911 C ALA B 93 10.032 0.971 8.874 1.00 0.78 C ATOM 1912 O ALA B 93 9.561 2.101 8.769 1.00 0.78 O ATOM 1913 CB ALA B 93 9.029 -0.949 7.635 1.00 0.82 C ATOM 0 H ALA B 93 11.396 -1.621 7.740 1.00 0.72 H new ATOM 0 HA ALA B 93 10.091 0.678 6.761 1.00 0.74 H new ATOM 0 HB1 ALA B 93 8.072 -0.428 7.633 1.00 0.82 H new ATOM 0 HB2 ALA B 93 9.110 -1.562 6.737 1.00 0.82 H new ATOM 0 HB3 ALA B 93 9.093 -1.587 8.517 1.00 0.82 H new ATOM 1919 N TYR B 94 10.479 0.475 10.021 1.00 0.82 N ATOM 1920 CA TYR B 94 10.419 1.237 11.257 1.00 0.90 C ATOM 1921 C TYR B 94 11.340 2.451 11.184 1.00 0.88 C ATOM 1922 O TYR B 94 11.000 3.524 11.680 1.00 0.90 O ATOM 1923 CB TYR B 94 10.802 0.356 12.448 1.00 0.98 C ATOM 1924 CG TYR B 94 10.445 0.959 13.785 1.00 1.23 C ATOM 1925 CD1 TYR B 94 9.130 0.975 14.228 1.00 1.31 C ATOM 1926 CD2 TYR B 94 11.420 1.518 14.601 1.00 1.54 C ATOM 1927 CE1 TYR B 94 8.795 1.528 15.447 1.00 1.60 C ATOM 1928 CE2 TYR B 94 11.093 2.073 15.821 1.00 1.80 C ATOM 1929 CZ TYR B 94 9.780 2.077 16.237 1.00 1.79 C ATOM 1930 OH TYR B 94 9.450 2.629 17.453 1.00 2.10 O ATOM 0 H TYR B 94 10.888 -0.454 10.119 1.00 0.82 H new ATOM 0 HA TYR B 94 9.395 1.585 11.394 1.00 0.90 H new ATOM 0 HB2 TYR B 94 10.305 -0.609 12.350 1.00 0.98 H new ATOM 0 HB3 TYR B 94 11.875 0.167 12.419 1.00 0.98 H new ATOM 0 HD1 TYR B 94 8.356 0.547 13.608 1.00 1.31 H new ATOM 0 HD2 TYR B 94 12.450 1.518 14.276 1.00 1.54 H new ATOM 0 HE1 TYR B 94 7.767 1.530 15.779 1.00 1.60 H new ATOM 0 HE2 TYR B 94 11.862 2.502 16.446 1.00 1.80 H new ATOM 0 HH TYR B 94 10.259 2.972 17.887 1.00 2.10 H new ATOM 1940 N ASN B 95 12.503 2.280 10.560 1.00 0.85 N ATOM 1941 CA ASN B 95 13.460 3.373 10.423 1.00 0.85 C ATOM 1942 C ASN B 95 12.847 4.522 9.634 1.00 0.81 C ATOM 1943 O ASN B 95 12.955 5.682 10.025 1.00 0.83 O ATOM 1944 CB ASN B 95 14.749 2.897 9.746 1.00 0.86 C ATOM 1945 CG ASN B 95 15.852 3.944 9.803 1.00 1.08 C ATOM 1946 OD1 ASN B 95 16.510 4.113 10.831 1.00 1.53 O ATOM 1947 ND2 ASN B 95 16.074 4.642 8.701 1.00 1.29 N ATOM 0 H ASN B 95 12.804 1.399 10.143 1.00 0.85 H new ATOM 0 HA ASN B 95 13.711 3.725 11.424 1.00 0.85 H new ATOM 0 HB2 ASN B 95 15.094 1.983 10.229 1.00 0.86 H new ATOM 0 HB3 ASN B 95 14.540 2.649 8.705 1.00 0.86 H new ATOM 0 HD21 ASN B 95 16.810 5.348 8.684 1.00 1.29 H new ATOM 0 HD22 ASN B 95 15.509 4.474 7.869 1.00 1.29 H new ATOM 1954 N PHE B 96 12.187 4.190 8.530 1.00 0.78 N ATOM 1955 CA PHE B 96 11.547 5.199 7.698 1.00 0.76 C ATOM 1956 C PHE B 96 10.296 5.738 8.390 1.00 0.79 C ATOM 1957 O PHE B 96 9.965 6.919 8.268 1.00 0.79 O ATOM 1958 CB PHE B 96 11.190 4.619 6.328 1.00 0.75 C ATOM 1959 CG PHE B 96 10.563 5.623 5.397 1.00 0.75 C ATOM 1960 CD1 PHE B 96 11.284 6.720 4.952 1.00 0.74 C ATOM 1961 CD2 PHE B 96 9.250 5.474 4.975 1.00 0.79 C ATOM 1962 CE1 PHE B 96 10.710 7.645 4.101 1.00 0.75 C ATOM 1963 CE2 PHE B 96 8.672 6.396 4.124 1.00 0.79 C ATOM 1964 CZ PHE B 96 9.403 7.484 3.688 1.00 0.77 C ATOM 0 H PHE B 96 12.082 3.233 8.192 1.00 0.78 H new ATOM 0 HA PHE B 96 12.247 6.021 7.551 1.00 0.76 H new ATOM 0 HB2 PHE B 96 12.092 4.219 5.865 1.00 0.75 H new ATOM 0 HB3 PHE B 96 10.504 3.783 6.464 1.00 0.75 H new ATOM 0 HD1 PHE B 96 12.306 6.853 5.274 1.00 0.74 H new ATOM 0 HD2 PHE B 96 8.673 4.627 5.316 1.00 0.79 H new ATOM 0 HE1 PHE B 96 11.284 8.494 3.759 1.00 0.75 H new ATOM 0 HE2 PHE B 96 7.650 6.266 3.800 1.00 0.79 H new ATOM 0 HZ PHE B 96 8.952 8.208 3.025 1.00 0.77 H new ATOM 1974 N LEU B 97 9.619 4.862 9.127 1.00 0.82 N ATOM 1975 CA LEU B 97 8.405 5.222 9.853 1.00 0.87 C ATOM 1976 C LEU B 97 8.663 6.383 10.807 1.00 0.88 C ATOM 1977 O LEU B 97 7.874 7.321 10.888 1.00 0.91 O ATOM 1978 CB LEU B 97 7.887 4.014 10.638 1.00 0.93 C ATOM 1979 CG LEU B 97 6.464 4.148 11.183 1.00 1.18 C ATOM 1980 CD1 LEU B 97 5.458 3.594 10.186 1.00 1.34 C ATOM 1981 CD2 LEU B 97 6.335 3.441 12.525 1.00 1.44 C ATOM 0 H LEU B 97 9.895 3.886 9.238 1.00 0.82 H new ATOM 0 HA LEU B 97 7.654 5.533 9.127 1.00 0.87 H new ATOM 0 HB2 LEU B 97 7.930 3.137 9.992 1.00 0.93 H new ATOM 0 HB3 LEU B 97 8.562 3.828 11.473 1.00 0.93 H new ATOM 0 HG LEU B 97 6.251 5.206 11.334 1.00 1.18 H new ATOM 0 HD11 LEU B 97 4.451 3.697 10.590 1.00 1.34 H new ATOM 0 HD12 LEU B 97 5.532 4.147 9.249 1.00 1.34 H new ATOM 0 HD13 LEU B 97 5.669 2.540 10.003 1.00 1.34 H new ATOM 0 HD21 LEU B 97 5.316 3.548 12.896 1.00 1.44 H new ATOM 0 HD22 LEU B 97 6.568 2.383 12.403 1.00 1.44 H new ATOM 0 HD23 LEU B 97 7.029 3.885 13.238 1.00 1.44 H new ATOM 1993 N GLN B 98 9.776 6.322 11.522 1.00 0.88 N ATOM 1994 CA GLN B 98 10.122 7.377 12.466 1.00 0.90 C ATOM 1995 C GLN B 98 11.031 8.416 11.824 1.00 0.89 C ATOM 1996 O GLN B 98 11.462 9.364 12.479 1.00 0.99 O ATOM 1997 CB GLN B 98 10.780 6.792 13.714 1.00 0.93 C ATOM 1998 CG GLN B 98 12.015 5.951 13.438 1.00 1.00 C ATOM 1999 CD GLN B 98 12.577 5.341 14.703 1.00 1.16 C ATOM 2000 OE1 GLN B 98 11.848 5.099 15.665 1.00 1.39 O ATOM 2001 NE2 GLN B 98 13.874 5.086 14.711 1.00 1.27 N ATOM 0 H GLN B 98 10.452 5.560 11.469 1.00 0.88 H new ATOM 0 HA GLN B 98 9.198 7.873 12.761 1.00 0.90 H new ATOM 0 HB2 GLN B 98 11.054 7.609 14.382 1.00 0.93 H new ATOM 0 HB3 GLN B 98 10.049 6.180 14.242 1.00 0.93 H new ATOM 0 HG2 GLN B 98 11.764 5.158 12.733 1.00 1.00 H new ATOM 0 HG3 GLN B 98 12.777 6.570 12.964 1.00 1.00 H new ATOM 0 HE21 GLN B 98 14.441 5.303 13.892 1.00 1.27 H new ATOM 0 HE22 GLN B 98 14.307 4.673 15.537 1.00 1.27 H new ATOM 2010 N LYS B 99 11.308 8.247 10.541 1.00 0.82 N ATOM 2011 CA LYS B 99 12.159 9.183 9.827 1.00 0.81 C ATOM 2012 C LYS B 99 11.326 10.343 9.301 1.00 0.84 C ATOM 2013 O LYS B 99 11.706 11.504 9.441 1.00 0.90 O ATOM 2014 CB LYS B 99 12.893 8.482 8.680 1.00 0.75 C ATOM 2015 CG LYS B 99 14.226 9.123 8.318 1.00 0.87 C ATOM 2016 CD LYS B 99 14.066 10.190 7.244 1.00 1.04 C ATOM 2017 CE LYS B 99 14.949 11.399 7.519 1.00 1.21 C ATOM 2018 NZ LYS B 99 14.289 12.375 8.427 1.00 1.69 N ATOM 0 H LYS B 99 10.957 7.474 9.975 1.00 0.82 H new ATOM 0 HA LYS B 99 12.908 9.572 10.517 1.00 0.81 H new ATOM 0 HB2 LYS B 99 13.064 7.441 8.954 1.00 0.75 H new ATOM 0 HB3 LYS B 99 12.251 8.479 7.799 1.00 0.75 H new ATOM 0 HG2 LYS B 99 14.670 9.567 9.209 1.00 0.87 H new ATOM 0 HG3 LYS B 99 14.916 8.355 7.968 1.00 0.87 H new ATOM 0 HD2 LYS B 99 14.318 9.768 6.271 1.00 1.04 H new ATOM 0 HD3 LYS B 99 13.023 10.504 7.195 1.00 1.04 H new ATOM 0 HE2 LYS B 99 15.888 11.069 7.963 1.00 1.21 H new ATOM 0 HE3 LYS B 99 15.196 11.889 6.577 1.00 1.21 H new ATOM 0 HZ1 LYS B 99 14.133 13.270 7.920 1.00 1.69 H new ATOM 0 HZ2 LYS B 99 13.375 11.992 8.743 1.00 1.69 H new ATOM 0 HZ3 LYS B 99 14.897 12.547 9.253 1.00 1.69 H new ATOM 2032 N ASN B 100 10.184 10.026 8.701 1.00 0.85 N ATOM 2033 CA ASN B 100 9.298 11.051 8.158 1.00 0.94 C ATOM 2034 C ASN B 100 8.019 11.135 8.987 1.00 0.99 C ATOM 2035 O ASN B 100 7.087 11.863 8.642 1.00 1.09 O ATOM 2036 CB ASN B 100 8.970 10.757 6.691 1.00 0.97 C ATOM 2037 CG ASN B 100 8.869 12.017 5.845 1.00 1.10 C ATOM 2038 OD1 ASN B 100 9.399 12.076 4.736 1.00 1.14 O ATOM 2039 ND2 ASN B 100 8.174 13.023 6.351 1.00 1.50 N ATOM 0 H ASN B 100 9.850 9.070 8.578 1.00 0.85 H new ATOM 0 HA ASN B 100 9.808 12.013 8.207 1.00 0.94 H new ATOM 0 HB2 ASN B 100 9.739 10.106 6.275 1.00 0.97 H new ATOM 0 HB3 ASN B 100 8.028 10.212 6.636 1.00 0.97 H new ATOM 0 HD21 ASN B 100 8.063 13.885 5.818 1.00 1.50 H new ATOM 0 HD22 ASN B 100 7.749 12.936 7.274 1.00 1.50 H new ATOM 2046 N ASP B 101 8.003 10.375 10.082 1.00 0.96 N ATOM 2047 CA ASP B 101 6.876 10.329 11.018 1.00 1.05 C ATOM 2048 C ASP B 101 5.608 9.785 10.366 1.00 1.06 C ATOM 2049 O ASP B 101 4.821 10.527 9.775 1.00 1.14 O ATOM 2050 CB ASP B 101 6.611 11.706 11.634 1.00 1.15 C ATOM 2051 CG ASP B 101 5.540 11.657 12.705 1.00 1.24 C ATOM 2052 OD1 ASP B 101 5.731 10.932 13.707 1.00 1.97 O ATOM 2053 OD2 ASP B 101 4.507 12.344 12.554 1.00 1.37 O ATOM 0 H ASP B 101 8.778 9.768 10.348 1.00 0.96 H new ATOM 0 HA ASP B 101 7.158 9.640 11.814 1.00 1.05 H new ATOM 0 HB2 ASP B 101 7.535 12.094 12.064 1.00 1.15 H new ATOM 0 HB3 ASP B 101 6.308 12.400 10.851 1.00 1.15 H new ATOM 2058 N LEU B 102 5.428 8.477 10.470 1.00 1.03 N ATOM 2059 CA LEU B 102 4.258 7.810 9.915 1.00 1.06 C ATOM 2060 C LEU B 102 3.596 6.947 10.985 1.00 1.13 C ATOM 2061 O LEU B 102 4.263 6.470 11.902 1.00 1.21 O ATOM 2062 CB LEU B 102 4.641 6.943 8.711 1.00 0.99 C ATOM 2063 CG LEU B 102 5.101 7.709 7.466 1.00 1.12 C ATOM 2064 CD1 LEU B 102 6.619 7.738 7.389 1.00 1.66 C ATOM 2065 CD2 LEU B 102 4.515 7.081 6.208 1.00 1.51 C ATOM 0 H LEU B 102 6.083 7.851 10.938 1.00 1.03 H new ATOM 0 HA LEU B 102 3.556 8.573 9.579 1.00 1.06 H new ATOM 0 HB2 LEU B 102 5.438 6.264 9.013 1.00 0.99 H new ATOM 0 HB3 LEU B 102 3.783 6.327 8.441 1.00 0.99 H new ATOM 0 HG LEU B 102 4.741 8.735 7.540 1.00 1.12 H new ATOM 0 HD11 LEU B 102 6.928 8.286 6.499 1.00 1.66 H new ATOM 0 HD12 LEU B 102 7.019 8.231 8.275 1.00 1.66 H new ATOM 0 HD13 LEU B 102 7.000 6.718 7.338 1.00 1.66 H new ATOM 0 HD21 LEU B 102 4.852 7.637 5.333 1.00 1.51 H new ATOM 0 HD22 LEU B 102 4.847 6.046 6.130 1.00 1.51 H new ATOM 0 HD23 LEU B 102 3.427 7.110 6.260 1.00 1.51 H new ATOM 2077 N ASN B 103 2.292 6.741 10.861 1.00 1.17 N ATOM 2078 CA ASN B 103 1.545 5.938 11.828 1.00 1.23 C ATOM 2079 C ASN B 103 1.911 4.455 11.710 1.00 1.14 C ATOM 2080 O ASN B 103 2.028 3.929 10.603 1.00 1.05 O ATOM 2081 CB ASN B 103 0.037 6.126 11.621 1.00 1.31 C ATOM 2082 CG ASN B 103 -0.787 5.492 12.726 1.00 1.41 C ATOM 2083 OD1 ASN B 103 -1.198 4.336 12.630 1.00 1.27 O ATOM 2084 ND2 ASN B 103 -1.036 6.247 13.781 1.00 1.75 N ATOM 0 H ASN B 103 1.726 7.118 10.101 1.00 1.17 H new ATOM 0 HA ASN B 103 1.812 6.277 12.829 1.00 1.23 H new ATOM 0 HB2 ASN B 103 -0.189 7.191 11.570 1.00 1.31 H new ATOM 0 HB3 ASN B 103 -0.251 5.693 10.663 1.00 1.31 H new ATOM 0 HD21 ASN B 103 -1.587 5.876 14.555 1.00 1.75 H new ATOM 0 HD22 ASN B 103 -0.677 7.201 13.822 1.00 1.75 H new ATOM 2091 N PRO B 104 2.096 3.766 12.857 1.00 1.18 N ATOM 2092 CA PRO B 104 2.459 2.333 12.907 1.00 1.12 C ATOM 2093 C PRO B 104 1.552 1.419 12.076 1.00 1.04 C ATOM 2094 O PRO B 104 1.940 0.299 11.743 1.00 1.02 O ATOM 2095 CB PRO B 104 2.331 1.989 14.390 1.00 1.22 C ATOM 2096 CG PRO B 104 2.584 3.273 15.092 1.00 1.34 C ATOM 2097 CD PRO B 104 2.000 4.343 14.215 1.00 1.30 C ATOM 0 HA PRO B 104 3.450 2.175 12.482 1.00 1.12 H new ATOM 0 HB2 PRO B 104 1.341 1.598 14.623 1.00 1.22 H new ATOM 0 HB3 PRO B 104 3.052 1.227 14.684 1.00 1.22 H new ATOM 0 HG2 PRO B 104 2.118 3.278 16.077 1.00 1.34 H new ATOM 0 HG3 PRO B 104 3.652 3.432 15.244 1.00 1.34 H new ATOM 0 HD2 PRO B 104 0.967 4.564 14.485 1.00 1.30 H new ATOM 0 HD3 PRO B 104 2.557 5.276 14.295 1.00 1.30 H new ATOM 2105 N MET B 105 0.352 1.881 11.744 1.00 1.03 N ATOM 2106 CA MET B 105 -0.573 1.080 10.944 1.00 1.01 C ATOM 2107 C MET B 105 -0.004 0.830 9.546 1.00 1.00 C ATOM 2108 O MET B 105 -0.288 -0.191 8.921 1.00 1.03 O ATOM 2109 CB MET B 105 -1.936 1.772 10.828 1.00 1.05 C ATOM 2110 CG MET B 105 -3.008 0.895 10.192 1.00 1.03 C ATOM 2111 SD MET B 105 -4.369 1.843 9.479 1.00 1.43 S ATOM 2112 CE MET B 105 -5.194 2.437 10.957 1.00 1.60 C ATOM 0 H MET B 105 -0.003 2.799 12.013 1.00 1.03 H new ATOM 0 HA MET B 105 -0.705 0.124 11.450 1.00 1.01 H new ATOM 0 HB2 MET B 105 -2.267 2.075 11.821 1.00 1.05 H new ATOM 0 HB3 MET B 105 -1.824 2.682 10.238 1.00 1.05 H new ATOM 0 HG2 MET B 105 -2.553 0.283 9.414 1.00 1.03 H new ATOM 0 HG3 MET B 105 -3.404 0.212 10.944 1.00 1.03 H new ATOM 0 HE1 MET B 105 -6.057 3.040 10.675 1.00 1.60 H new ATOM 0 HE2 MET B 105 -5.525 1.588 11.555 1.00 1.60 H new ATOM 0 HE3 MET B 105 -4.502 3.045 11.540 1.00 1.60 H new ATOM 2122 N PHE B 106 0.827 1.752 9.075 1.00 1.00 N ATOM 2123 CA PHE B 106 1.423 1.638 7.750 1.00 1.03 C ATOM 2124 C PHE B 106 2.608 0.677 7.749 1.00 0.99 C ATOM 2125 O PHE B 106 3.075 0.267 6.685 1.00 0.98 O ATOM 2126 CB PHE B 106 1.874 3.011 7.247 1.00 1.06 C ATOM 2127 CG PHE B 106 0.789 4.048 7.275 1.00 1.38 C ATOM 2128 CD1 PHE B 106 -0.434 3.810 6.672 1.00 1.92 C ATOM 2129 CD2 PHE B 106 0.995 5.262 7.911 1.00 1.72 C ATOM 2130 CE1 PHE B 106 -1.433 4.762 6.704 1.00 2.44 C ATOM 2131 CE2 PHE B 106 -0.001 6.217 7.946 1.00 2.20 C ATOM 2132 CZ PHE B 106 -1.215 5.967 7.342 1.00 2.46 C ATOM 0 H PHE B 106 1.103 2.587 9.591 1.00 1.00 H new ATOM 0 HA PHE B 106 0.660 1.240 7.082 1.00 1.03 H new ATOM 0 HB2 PHE B 106 2.710 3.355 7.856 1.00 1.06 H new ATOM 0 HB3 PHE B 106 2.243 2.911 6.226 1.00 1.06 H new ATOM 0 HD1 PHE B 106 -0.608 2.869 6.171 1.00 1.92 H new ATOM 0 HD2 PHE B 106 1.945 5.463 8.384 1.00 1.72 H new ATOM 0 HE1 PHE B 106 -2.384 4.565 6.231 1.00 2.44 H new ATOM 0 HE2 PHE B 106 0.170 7.159 8.446 1.00 2.20 H new ATOM 0 HZ PHE B 106 -1.995 6.713 7.368 1.00 2.46 H new ATOM 2142 N LEU B 107 3.080 0.312 8.940 1.00 1.00 N ATOM 2143 CA LEU B 107 4.220 -0.594 9.074 1.00 0.97 C ATOM 2144 C LEU B 107 3.921 -1.949 8.443 1.00 0.99 C ATOM 2145 O LEU B 107 4.760 -2.516 7.750 1.00 0.90 O ATOM 2146 CB LEU B 107 4.593 -0.782 10.547 1.00 1.00 C ATOM 2147 CG LEU B 107 5.928 -1.488 10.791 1.00 0.99 C ATOM 2148 CD1 LEU B 107 7.069 -0.483 10.796 1.00 0.98 C ATOM 2149 CD2 LEU B 107 5.889 -2.263 12.098 1.00 1.10 C ATOM 0 H LEU B 107 2.690 0.630 9.827 1.00 1.00 H new ATOM 0 HA LEU B 107 5.062 -0.143 8.549 1.00 0.97 H new ATOM 0 HB2 LEU B 107 4.624 0.197 11.026 1.00 1.00 H new ATOM 0 HB3 LEU B 107 3.803 -1.352 11.036 1.00 1.00 H new ATOM 0 HG LEU B 107 6.099 -2.195 9.979 1.00 0.99 H new ATOM 0 HD11 LEU B 107 8.011 -1.003 10.971 1.00 0.98 H new ATOM 0 HD12 LEU B 107 7.109 0.027 9.833 1.00 0.98 H new ATOM 0 HD13 LEU B 107 6.906 0.249 11.587 1.00 0.98 H new ATOM 0 HD21 LEU B 107 6.847 -2.759 12.256 1.00 1.10 H new ATOM 0 HD22 LEU B 107 5.696 -1.577 12.922 1.00 1.10 H new ATOM 0 HD23 LEU B 107 5.096 -3.010 12.055 1.00 1.10 H new ATOM 2161 N ASP B 108 2.713 -2.449 8.673 1.00 1.16 N ATOM 2162 CA ASP B 108 2.299 -3.742 8.131 1.00 1.22 C ATOM 2163 C ASP B 108 2.244 -3.693 6.608 1.00 1.10 C ATOM 2164 O ASP B 108 2.797 -4.556 5.926 1.00 1.08 O ATOM 2165 CB ASP B 108 0.931 -4.139 8.700 1.00 1.48 C ATOM 2166 CG ASP B 108 0.381 -5.414 8.082 1.00 1.75 C ATOM 2167 OD1 ASP B 108 1.159 -6.370 7.881 1.00 2.33 O ATOM 2168 OD2 ASP B 108 -0.837 -5.465 7.807 1.00 2.08 O ATOM 0 H ASP B 108 2.000 -1.980 9.232 1.00 1.16 H new ATOM 0 HA ASP B 108 3.034 -4.492 8.424 1.00 1.22 H new ATOM 0 HB2 ASP B 108 1.016 -4.271 9.779 1.00 1.48 H new ATOM 0 HB3 ASP B 108 0.224 -3.326 8.534 1.00 1.48 H new ATOM 2173 N GLN B 109 1.603 -2.653 6.090 1.00 1.14 N ATOM 2174 CA GLN B 109 1.451 -2.467 4.651 1.00 1.10 C ATOM 2175 C GLN B 109 2.798 -2.460 3.926 1.00 0.94 C ATOM 2176 O GLN B 109 2.965 -3.131 2.907 1.00 0.94 O ATOM 2177 CB GLN B 109 0.698 -1.161 4.372 1.00 1.23 C ATOM 2178 CG GLN B 109 0.916 -0.607 2.971 1.00 1.27 C ATOM 2179 CD GLN B 109 0.144 0.671 2.724 1.00 1.45 C ATOM 2180 OE1 GLN B 109 -0.968 0.647 2.205 1.00 1.58 O ATOM 2181 NE2 GLN B 109 0.728 1.800 3.094 1.00 1.98 N ATOM 0 H GLN B 109 1.175 -1.917 6.652 1.00 1.14 H new ATOM 0 HA GLN B 109 0.879 -3.312 4.268 1.00 1.10 H new ATOM 0 HB2 GLN B 109 -0.368 -1.329 4.523 1.00 1.23 H new ATOM 0 HB3 GLN B 109 1.009 -0.412 5.100 1.00 1.23 H new ATOM 0 HG2 GLN B 109 1.979 -0.420 2.820 1.00 1.27 H new ATOM 0 HG3 GLN B 109 0.616 -1.356 2.238 1.00 1.27 H new ATOM 0 HE21 GLN B 109 1.653 1.779 3.522 1.00 1.98 H new ATOM 0 HE22 GLN B 109 0.252 2.691 2.951 1.00 1.98 H new ATOM 2190 N VAL B 110 3.759 -1.714 4.454 1.00 0.88 N ATOM 2191 CA VAL B 110 5.068 -1.620 3.820 1.00 0.78 C ATOM 2192 C VAL B 110 5.917 -2.870 4.060 1.00 0.76 C ATOM 2193 O VAL B 110 6.679 -3.281 3.185 1.00 0.76 O ATOM 2194 CB VAL B 110 5.844 -0.365 4.276 1.00 0.70 C ATOM 2195 CG1 VAL B 110 5.106 0.895 3.850 1.00 0.74 C ATOM 2196 CG2 VAL B 110 6.070 -0.367 5.779 1.00 0.79 C ATOM 0 H VAL B 110 3.659 -1.170 5.311 1.00 0.88 H new ATOM 0 HA VAL B 110 4.876 -1.537 2.750 1.00 0.78 H new ATOM 0 HB VAL B 110 6.822 -0.382 3.794 1.00 0.70 H new ATOM 0 HG11 VAL B 110 5.664 1.772 4.178 1.00 0.74 H new ATOM 0 HG12 VAL B 110 5.010 0.911 2.764 1.00 0.74 H new ATOM 0 HG13 VAL B 110 4.114 0.906 4.302 1.00 0.74 H new ATOM 0 HG21 VAL B 110 6.619 0.530 6.066 1.00 0.79 H new ATOM 0 HG22 VAL B 110 5.108 -0.383 6.292 1.00 0.79 H new ATOM 0 HG23 VAL B 110 6.645 -1.249 6.059 1.00 0.79 H new ATOM 2206 N ALA B 111 5.772 -3.485 5.231 1.00 0.77 N ATOM 2207 CA ALA B 111 6.541 -4.679 5.562 1.00 0.77 C ATOM 2208 C ALA B 111 6.188 -5.833 4.636 1.00 0.82 C ATOM 2209 O ALA B 111 7.072 -6.554 4.176 1.00 0.80 O ATOM 2210 CB ALA B 111 6.314 -5.081 7.011 1.00 0.81 C ATOM 0 H ALA B 111 5.132 -3.177 5.963 1.00 0.77 H new ATOM 0 HA ALA B 111 7.596 -4.442 5.426 1.00 0.77 H new ATOM 0 HB1 ALA B 111 6.897 -5.974 7.236 1.00 0.81 H new ATOM 0 HB2 ALA B 111 6.626 -4.269 7.667 1.00 0.81 H new ATOM 0 HB3 ALA B 111 5.256 -5.289 7.169 1.00 0.81 H new ATOM 2216 N LYS B 112 4.896 -5.988 4.356 1.00 0.89 N ATOM 2217 CA LYS B 112 4.408 -7.057 3.486 1.00 0.96 C ATOM 2218 C LYS B 112 5.129 -7.061 2.137 1.00 0.96 C ATOM 2219 O LYS B 112 5.511 -8.115 1.632 1.00 1.00 O ATOM 2220 CB LYS B 112 2.902 -6.906 3.253 1.00 1.05 C ATOM 2221 CG LYS B 112 2.049 -7.175 4.484 1.00 1.15 C ATOM 2222 CD LYS B 112 1.367 -8.532 4.408 1.00 1.13 C ATOM 2223 CE LYS B 112 0.267 -8.667 5.452 1.00 1.18 C ATOM 2224 NZ LYS B 112 0.807 -8.713 6.837 1.00 1.69 N ATOM 0 H LYS B 112 4.162 -5.382 4.722 1.00 0.89 H new ATOM 0 HA LYS B 112 4.612 -8.003 3.988 1.00 0.96 H new ATOM 0 HB2 LYS B 112 2.700 -5.895 2.899 1.00 1.05 H new ATOM 0 HB3 LYS B 112 2.599 -7.588 2.459 1.00 1.05 H new ATOM 0 HG2 LYS B 112 2.673 -7.131 5.376 1.00 1.15 H new ATOM 0 HG3 LYS B 112 1.295 -6.394 4.583 1.00 1.15 H new ATOM 0 HD2 LYS B 112 0.944 -8.672 3.413 1.00 1.13 H new ATOM 0 HD3 LYS B 112 2.106 -9.320 4.554 1.00 1.13 H new ATOM 0 HE2 LYS B 112 -0.423 -7.828 5.361 1.00 1.18 H new ATOM 0 HE3 LYS B 112 -0.306 -9.573 5.258 1.00 1.18 H new ATOM 0 HZ1 LYS B 112 0.245 -9.377 7.407 1.00 1.69 H new ATOM 0 HZ2 LYS B 112 1.797 -9.030 6.813 1.00 1.69 H new ATOM 0 HZ3 LYS B 112 0.757 -7.764 7.261 1.00 1.69 H new ATOM 2238 N PHE B 113 5.321 -5.877 1.570 1.00 0.94 N ATOM 2239 CA PHE B 113 5.983 -5.744 0.277 1.00 0.96 C ATOM 2240 C PHE B 113 7.465 -6.098 0.377 1.00 0.90 C ATOM 2241 O PHE B 113 7.997 -6.826 -0.461 1.00 0.96 O ATOM 2242 CB PHE B 113 5.819 -4.318 -0.258 1.00 0.96 C ATOM 2243 CG PHE B 113 6.096 -4.191 -1.729 1.00 1.20 C ATOM 2244 CD1 PHE B 113 5.156 -4.602 -2.661 1.00 1.58 C ATOM 2245 CD2 PHE B 113 7.295 -3.661 -2.181 1.00 1.55 C ATOM 2246 CE1 PHE B 113 5.405 -4.487 -4.014 1.00 2.05 C ATOM 2247 CE2 PHE B 113 7.549 -3.543 -3.535 1.00 2.03 C ATOM 2248 CZ PHE B 113 6.603 -3.956 -4.453 1.00 2.21 C ATOM 0 H PHE B 113 5.027 -4.993 1.985 1.00 0.94 H new ATOM 0 HA PHE B 113 5.512 -6.442 -0.415 1.00 0.96 H new ATOM 0 HB2 PHE B 113 4.803 -3.979 -0.058 1.00 0.96 H new ATOM 0 HB3 PHE B 113 6.490 -3.655 0.288 1.00 0.96 H new ATOM 0 HD1 PHE B 113 4.217 -5.017 -2.325 1.00 1.58 H new ATOM 0 HD2 PHE B 113 8.038 -3.337 -1.468 1.00 1.55 H new ATOM 0 HE1 PHE B 113 4.664 -4.812 -4.729 1.00 2.05 H new ATOM 0 HE2 PHE B 113 8.486 -3.128 -3.875 1.00 2.03 H new ATOM 0 HZ PHE B 113 6.799 -3.864 -5.511 1.00 2.21 H new ATOM 2258 N ILE B 114 8.121 -5.602 1.420 1.00 0.80 N ATOM 2259 CA ILE B 114 9.546 -5.857 1.622 1.00 0.77 C ATOM 2260 C ILE B 114 9.813 -7.342 1.867 1.00 0.82 C ATOM 2261 O ILE B 114 10.858 -7.866 1.484 1.00 0.84 O ATOM 2262 CB ILE B 114 10.108 -5.038 2.805 1.00 0.69 C ATOM 2263 CG1 ILE B 114 9.753 -3.558 2.649 1.00 0.69 C ATOM 2264 CG2 ILE B 114 11.618 -5.214 2.906 1.00 0.68 C ATOM 2265 CD1 ILE B 114 10.179 -2.706 3.826 1.00 0.63 C ATOM 0 H ILE B 114 7.691 -5.021 2.140 1.00 0.80 H new ATOM 0 HA ILE B 114 10.052 -5.547 0.708 1.00 0.77 H new ATOM 0 HB ILE B 114 9.654 -5.407 3.725 1.00 0.69 H new ATOM 0 HG12 ILE B 114 10.223 -3.174 1.744 1.00 0.69 H new ATOM 0 HG13 ILE B 114 8.676 -3.464 2.514 1.00 0.69 H new ATOM 0 HG21 ILE B 114 11.997 -4.630 3.745 1.00 0.68 H new ATOM 0 HG22 ILE B 114 11.852 -6.267 3.062 1.00 0.68 H new ATOM 0 HG23 ILE B 114 12.087 -4.871 1.984 1.00 0.68 H new ATOM 0 HD11 ILE B 114 9.895 -1.669 3.646 1.00 0.63 H new ATOM 0 HD12 ILE B 114 9.689 -3.065 4.731 1.00 0.63 H new ATOM 0 HD13 ILE B 114 11.260 -2.770 3.949 1.00 0.63 H new ATOM 2277 N ILE B 115 8.857 -8.013 2.495 1.00 0.86 N ATOM 2278 CA ILE B 115 8.982 -9.436 2.795 1.00 0.94 C ATOM 2279 C ILE B 115 9.096 -10.274 1.518 1.00 0.95 C ATOM 2280 O ILE B 115 9.904 -11.203 1.452 1.00 1.00 O ATOM 2281 CB ILE B 115 7.787 -9.933 3.648 1.00 1.00 C ATOM 2282 CG1 ILE B 115 7.887 -9.382 5.073 1.00 1.03 C ATOM 2283 CG2 ILE B 115 7.722 -11.455 3.676 1.00 1.07 C ATOM 2284 CD1 ILE B 115 6.653 -9.635 5.916 1.00 1.10 C ATOM 0 H ILE B 115 7.982 -7.594 2.809 1.00 0.86 H new ATOM 0 HA ILE B 115 9.900 -9.562 3.369 1.00 0.94 H new ATOM 0 HB ILE B 115 6.870 -9.565 3.187 1.00 1.00 H new ATOM 0 HG12 ILE B 115 8.750 -9.830 5.566 1.00 1.03 H new ATOM 0 HG13 ILE B 115 8.069 -8.308 5.025 1.00 1.03 H new ATOM 0 HG21 ILE B 115 6.873 -11.772 4.282 1.00 1.07 H new ATOM 0 HG22 ILE B 115 7.604 -11.833 2.660 1.00 1.07 H new ATOM 0 HG23 ILE B 115 8.642 -11.851 4.105 1.00 1.07 H new ATOM 0 HD11 ILE B 115 6.800 -9.216 6.911 1.00 1.10 H new ATOM 0 HD12 ILE B 115 5.789 -9.163 5.447 1.00 1.10 H new ATOM 0 HD13 ILE B 115 6.481 -10.708 5.996 1.00 1.10 H new ATOM 2296 N ASP B 116 8.315 -9.936 0.497 1.00 0.93 N ATOM 2297 CA ASP B 116 8.350 -10.701 -0.745 1.00 0.97 C ATOM 2298 C ASP B 116 9.419 -10.190 -1.706 1.00 0.95 C ATOM 2299 O ASP B 116 9.695 -10.820 -2.731 1.00 0.96 O ATOM 2300 CB ASP B 116 6.992 -10.708 -1.436 1.00 1.05 C ATOM 2301 CG ASP B 116 6.910 -11.820 -2.460 1.00 1.19 C ATOM 2302 OD1 ASP B 116 7.496 -12.894 -2.214 1.00 1.25 O ATOM 2303 OD2 ASP B 116 6.273 -11.633 -3.513 1.00 1.38 O ATOM 0 H ASP B 116 7.662 -9.153 0.502 1.00 0.93 H new ATOM 0 HA ASP B 116 8.607 -11.723 -0.467 1.00 0.97 H new ATOM 0 HB2 ASP B 116 6.203 -10.833 -0.694 1.00 1.05 H new ATOM 0 HB3 ASP B 116 6.823 -9.747 -1.923 1.00 1.05 H new ATOM 2308 N ASN B 117 10.030 -9.062 -1.368 1.00 0.93 N ATOM 2309 CA ASN B 117 11.083 -8.476 -2.198 1.00 0.92 C ATOM 2310 C ASN B 117 12.209 -9.483 -2.419 1.00 0.91 C ATOM 2311 O ASN B 117 12.812 -9.544 -3.495 1.00 0.93 O ATOM 2312 CB ASN B 117 11.641 -7.210 -1.534 1.00 0.90 C ATOM 2313 CG ASN B 117 12.855 -6.648 -2.252 1.00 0.96 C ATOM 2314 OD1 ASN B 117 12.722 -5.848 -3.173 1.00 1.13 O ATOM 2315 ND2 ASN B 117 14.046 -7.051 -1.829 1.00 0.90 N ATOM 0 H ASN B 117 9.816 -8.531 -0.524 1.00 0.93 H new ATOM 0 HA ASN B 117 10.652 -8.211 -3.163 1.00 0.92 H new ATOM 0 HB2 ASN B 117 10.861 -6.450 -1.502 1.00 0.90 H new ATOM 0 HB3 ASN B 117 11.909 -7.436 -0.502 1.00 0.90 H new ATOM 0 HD21 ASN B 117 14.892 -6.694 -2.273 1.00 0.90 H new ATOM 0 HD22 ASN B 117 14.115 -7.718 -1.060 1.00 0.90 H new ATOM 2322 N THR B 118 12.465 -10.286 -1.399 1.00 0.91 N ATOM 2323 CA THR B 118 13.512 -11.284 -1.461 1.00 0.93 C ATOM 2324 C THR B 118 12.971 -12.683 -1.148 1.00 0.95 C ATOM 2325 O THR B 118 13.724 -13.575 -0.747 1.00 0.99 O ATOM 2326 CB THR B 118 14.643 -10.927 -0.478 1.00 0.89 C ATOM 2327 OG1 THR B 118 14.512 -9.555 -0.063 1.00 0.98 O ATOM 2328 CG2 THR B 118 16.005 -11.131 -1.126 1.00 1.04 C ATOM 0 H THR B 118 11.957 -10.263 -0.515 1.00 0.91 H new ATOM 0 HA THR B 118 13.905 -11.293 -2.478 1.00 0.93 H new ATOM 0 HB THR B 118 14.565 -11.583 0.389 1.00 0.89 H new ATOM 0 HG1 THR B 118 15.232 -9.332 0.563 1.00 0.98 H new ATOM 0 HG21 THR B 118 16.789 -10.873 -0.414 1.00 1.04 H new ATOM 0 HG22 THR B 118 16.114 -12.174 -1.423 1.00 1.04 H new ATOM 0 HG23 THR B 118 16.089 -10.492 -2.005 1.00 1.04 H new ATOM 2336 N LYS B 119 11.668 -12.876 -1.339 1.00 1.14 N ATOM 2337 CA LYS B 119 11.050 -14.173 -1.069 1.00 1.18 C ATOM 2338 C LYS B 119 10.668 -14.880 -2.371 1.00 1.25 C ATOM 2339 O LYS B 119 11.468 -15.635 -2.922 1.00 1.18 O ATOM 2340 CB LYS B 119 9.828 -14.022 -0.159 1.00 1.16 C ATOM 2341 CG LYS B 119 9.290 -15.345 0.362 1.00 1.26 C ATOM 2342 CD LYS B 119 8.484 -15.166 1.639 1.00 1.11 C ATOM 2343 CE LYS B 119 9.383 -14.846 2.826 1.00 1.63 C ATOM 2344 NZ LYS B 119 8.723 -15.150 4.122 1.00 2.10 N ATOM 0 H LYS B 119 11.025 -12.160 -1.676 1.00 1.14 H new ATOM 0 HA LYS B 119 11.785 -14.789 -0.550 1.00 1.18 H new ATOM 0 HB2 LYS B 119 10.092 -13.388 0.687 1.00 1.16 H new ATOM 0 HB3 LYS B 119 9.038 -13.509 -0.708 1.00 1.16 H new ATOM 0 HG2 LYS B 119 8.664 -15.808 -0.401 1.00 1.26 H new ATOM 0 HG3 LYS B 119 10.120 -16.026 0.549 1.00 1.26 H new ATOM 0 HD2 LYS B 119 7.759 -14.363 1.503 1.00 1.11 H new ATOM 0 HD3 LYS B 119 7.919 -16.075 1.844 1.00 1.11 H new ATOM 0 HE2 LYS B 119 10.307 -15.419 2.746 1.00 1.63 H new ATOM 0 HE3 LYS B 119 9.659 -13.792 2.798 1.00 1.63 H new ATOM 0 HZ1 LYS B 119 9.369 -14.918 4.903 1.00 2.10 H new ATOM 0 HZ2 LYS B 119 7.855 -14.584 4.211 1.00 2.10 H new ATOM 0 HZ3 LYS B 119 8.483 -16.161 4.160 1.00 2.10 H new ATOM 2358 N GLY B 120 9.459 -14.638 -2.870 1.00 1.50 N ATOM 2359 CA GLY B 120 9.042 -15.276 -4.105 1.00 1.61 C ATOM 2360 C GLY B 120 7.596 -15.738 -4.097 1.00 1.60 C ATOM 2361 O GLY B 120 7.309 -16.892 -4.410 1.00 1.81 O ATOM 0 H GLY B 120 8.768 -14.019 -2.447 1.00 1.50 H new ATOM 0 HA2 GLY B 120 9.186 -14.579 -4.930 1.00 1.61 H new ATOM 0 HA3 GLY B 120 9.687 -16.134 -4.296 1.00 1.61 H new ATOM 2365 N GLN B 121 6.684 -14.848 -3.738 1.00 1.41 N ATOM 2366 CA GLN B 121 5.264 -15.176 -3.716 1.00 1.44 C ATOM 2367 C GLN B 121 4.533 -14.490 -4.866 1.00 1.31 C ATOM 2368 O GLN B 121 3.753 -15.117 -5.583 1.00 1.43 O ATOM 2369 CB GLN B 121 4.638 -14.773 -2.379 1.00 1.40 C ATOM 2370 CG GLN B 121 5.204 -15.536 -1.191 1.00 1.46 C ATOM 2371 CD GLN B 121 4.904 -17.022 -1.253 1.00 1.55 C ATOM 2372 OE1 GLN B 121 3.881 -17.483 -0.745 1.00 1.64 O ATOM 2373 NE2 GLN B 121 5.790 -17.785 -1.876 1.00 2.11 N ATOM 0 H GLN B 121 6.900 -13.892 -3.457 1.00 1.41 H new ATOM 0 HA GLN B 121 5.165 -16.255 -3.837 1.00 1.44 H new ATOM 0 HB2 GLN B 121 4.791 -13.705 -2.222 1.00 1.40 H new ATOM 0 HB3 GLN B 121 3.561 -14.937 -2.427 1.00 1.40 H new ATOM 0 HG2 GLN B 121 6.283 -15.389 -1.151 1.00 1.46 H new ATOM 0 HG3 GLN B 121 4.791 -15.124 -0.270 1.00 1.46 H new ATOM 0 HE21 GLN B 121 6.626 -17.367 -2.284 1.00 2.11 H new ATOM 0 HE22 GLN B 121 5.636 -18.791 -1.947 1.00 2.11 H new ATOM 2382 N MET B 122 4.782 -13.198 -5.034 1.00 1.11 N ATOM 2383 CA MET B 122 4.149 -12.434 -6.103 1.00 1.05 C ATOM 2384 C MET B 122 5.170 -11.571 -6.839 1.00 1.07 C ATOM 2385 O MET B 122 4.985 -11.237 -8.009 1.00 1.09 O ATOM 2386 CB MET B 122 3.010 -11.562 -5.552 1.00 1.10 C ATOM 2387 CG MET B 122 3.472 -10.433 -4.636 1.00 0.99 C ATOM 2388 SD MET B 122 2.118 -9.708 -3.686 1.00 1.81 S ATOM 2389 CE MET B 122 1.802 -11.023 -2.512 1.00 1.92 C ATOM 0 H MET B 122 5.416 -12.657 -4.446 1.00 1.11 H new ATOM 0 HA MET B 122 3.727 -13.145 -6.814 1.00 1.05 H new ATOM 0 HB2 MET B 122 2.459 -11.133 -6.389 1.00 1.10 H new ATOM 0 HB3 MET B 122 2.314 -12.197 -5.004 1.00 1.10 H new ATOM 0 HG2 MET B 122 4.229 -10.814 -3.950 1.00 0.99 H new ATOM 0 HG3 MET B 122 3.947 -9.656 -5.235 1.00 0.99 H new ATOM 0 HE1 MET B 122 1.265 -10.622 -1.652 1.00 1.92 H new ATOM 0 HE2 MET B 122 1.200 -11.798 -2.987 1.00 1.92 H new ATOM 0 HE3 MET B 122 2.748 -11.451 -2.182 1.00 1.92 H new ATOM 2399 N LEU B 123 6.244 -11.202 -6.152 1.00 1.19 N ATOM 2400 CA LEU B 123 7.287 -10.389 -6.758 1.00 1.33 C ATOM 2401 C LEU B 123 8.334 -11.274 -7.430 1.00 1.36 C ATOM 2402 O LEU B 123 8.257 -11.539 -8.630 1.00 1.48 O ATOM 2403 CB LEU B 123 7.943 -9.487 -5.709 1.00 1.57 C ATOM 2404 CG LEU B 123 7.010 -8.474 -5.042 1.00 1.57 C ATOM 2405 CD1 LEU B 123 7.775 -7.651 -4.015 1.00 1.82 C ATOM 2406 CD2 LEU B 123 6.371 -7.568 -6.090 1.00 1.59 C ATOM 0 H LEU B 123 6.414 -11.453 -5.178 1.00 1.19 H new ATOM 0 HA LEU B 123 6.830 -9.757 -7.519 1.00 1.33 H new ATOM 0 HB2 LEU B 123 8.381 -10.117 -4.935 1.00 1.57 H new ATOM 0 HB3 LEU B 123 8.763 -8.945 -6.181 1.00 1.57 H new ATOM 0 HG LEU B 123 6.215 -9.015 -4.528 1.00 1.57 H new ATOM 0 HD11 LEU B 123 7.100 -6.934 -3.548 1.00 1.82 H new ATOM 0 HD12 LEU B 123 8.187 -8.312 -3.253 1.00 1.82 H new ATOM 0 HD13 LEU B 123 8.587 -7.117 -4.509 1.00 1.82 H new ATOM 0 HD21 LEU B 123 5.710 -6.853 -5.599 1.00 1.59 H new ATOM 0 HD22 LEU B 123 7.150 -7.030 -6.630 1.00 1.59 H new ATOM 0 HD23 LEU B 123 5.795 -8.172 -6.791 1.00 1.59 H new ATOM 2418 N GLY B 124 9.300 -11.748 -6.654 1.00 1.44 N ATOM 2419 CA GLY B 124 10.337 -12.607 -7.201 1.00 1.48 C ATOM 2420 C GLY B 124 9.950 -14.068 -7.137 1.00 1.77 C ATOM 2421 O GLY B 124 10.749 -14.914 -6.734 1.00 2.49 O ATOM 0 H GLY B 124 9.386 -11.554 -5.656 1.00 1.44 H new ATOM 0 HA2 GLY B 124 10.531 -12.328 -8.237 1.00 1.48 H new ATOM 0 HA3 GLY B 124 11.265 -12.453 -6.650 1.00 1.48 H new ATOM 2425 N LEU B 125 8.718 -14.361 -7.539 1.00 1.39 N ATOM 2426 CA LEU B 125 8.197 -15.723 -7.512 1.00 1.59 C ATOM 2427 C LEU B 125 8.894 -16.620 -8.533 1.00 1.56 C ATOM 2428 O LEU B 125 9.506 -16.142 -9.490 1.00 1.53 O ATOM 2429 CB LEU B 125 6.655 -15.737 -7.691 1.00 1.94 C ATOM 2430 CG LEU B 125 6.061 -15.463 -9.097 1.00 1.48 C ATOM 2431 CD1 LEU B 125 6.802 -14.361 -9.837 1.00 1.69 C ATOM 2432 CD2 LEU B 125 6.010 -16.738 -9.931 1.00 1.63 C ATOM 0 H LEU B 125 8.057 -13.668 -7.890 1.00 1.39 H new ATOM 0 HA LEU B 125 8.417 -16.137 -6.528 1.00 1.59 H new ATOM 0 HB2 LEU B 125 6.294 -16.713 -7.365 1.00 1.94 H new ATOM 0 HB3 LEU B 125 6.237 -14.998 -7.007 1.00 1.94 H new ATOM 0 HG LEU B 125 5.041 -15.112 -8.942 1.00 1.48 H new ATOM 0 HD11 LEU B 125 6.346 -14.209 -10.815 1.00 1.69 H new ATOM 0 HD12 LEU B 125 6.746 -13.436 -9.263 1.00 1.69 H new ATOM 0 HD13 LEU B 125 7.846 -14.646 -9.964 1.00 1.69 H new ATOM 0 HD21 LEU B 125 5.589 -16.515 -10.911 1.00 1.63 H new ATOM 0 HD22 LEU B 125 7.018 -17.135 -10.051 1.00 1.63 H new ATOM 0 HD23 LEU B 125 5.386 -17.477 -9.428 1.00 1.63 H new ATOM 2444 N GLY B 126 8.799 -17.918 -8.306 1.00 2.19 N ATOM 2445 CA GLY B 126 9.414 -18.886 -9.184 1.00 2.27 C ATOM 2446 C GLY B 126 9.215 -20.286 -8.658 1.00 2.45 C ATOM 2447 O GLY B 126 8.096 -20.657 -8.294 1.00 2.74 O ATOM 0 H GLY B 126 8.298 -18.323 -7.515 1.00 2.19 H new ATOM 0 HA2 GLY B 126 8.985 -18.803 -10.182 1.00 2.27 H new ATOM 0 HA3 GLY B 126 10.479 -18.675 -9.277 1.00 2.27 H new ATOM 2451 N ASN B 127 10.289 -21.057 -8.587 1.00 2.74 N ATOM 2452 CA ASN B 127 10.204 -22.418 -8.080 1.00 3.06 C ATOM 2453 C ASN B 127 10.049 -22.393 -6.563 1.00 4.10 C ATOM 2454 O ASN B 127 10.794 -21.702 -5.861 1.00 4.81 O ATOM 2455 CB ASN B 127 11.433 -23.251 -8.491 1.00 3.42 C ATOM 2456 CG ASN B 127 12.646 -23.021 -7.603 1.00 4.44 C ATOM 2457 OD1 ASN B 127 13.398 -22.068 -7.797 1.00 4.51 O ATOM 2458 ND2 ASN B 127 12.851 -23.901 -6.631 1.00 5.34 N ATOM 0 H ASN B 127 11.224 -20.766 -8.872 1.00 2.74 H new ATOM 0 HA ASN B 127 9.328 -22.895 -8.520 1.00 3.06 H new ATOM 0 HB2 ASN B 127 11.170 -24.309 -8.467 1.00 3.42 H new ATOM 0 HB3 ASN B 127 11.696 -23.012 -9.521 1.00 3.42 H new ATOM 0 HD21 ASN B 127 13.656 -23.800 -6.013 1.00 5.34 H new ATOM 0 HD22 ASN B 127 12.204 -24.679 -6.502 1.00 5.34 H new ATOM 2465 N PRO B 128 9.045 -23.109 -6.044 1.00 4.39 N ATOM 2466 CA PRO B 128 8.787 -23.173 -4.605 1.00 5.57 C ATOM 2467 C PRO B 128 9.818 -24.023 -3.874 1.00 6.29 C ATOM 2468 O PRO B 128 10.220 -25.072 -4.421 1.00 6.27 O ATOM 2469 CB PRO B 128 7.403 -23.813 -4.518 1.00 5.65 C ATOM 2470 CG PRO B 128 7.263 -24.607 -5.772 1.00 4.63 C ATOM 2471 CD PRO B 128 8.076 -23.901 -6.822 1.00 3.74 C ATOM 2472 OXT PRO B 128 10.224 -23.643 -2.756 1.00 7.06 O ATOM 0 HA PRO B 128 8.843 -22.191 -4.135 1.00 5.57 H new ATOM 0 HB2 PRO B 128 7.317 -24.449 -3.637 1.00 5.65 H new ATOM 0 HB3 PRO B 128 6.623 -23.056 -4.442 1.00 5.65 H new ATOM 0 HG2 PRO B 128 7.620 -25.627 -5.627 1.00 4.63 H new ATOM 0 HG3 PRO B 128 6.217 -24.675 -6.073 1.00 4.63 H new ATOM 0 HD2 PRO B 128 8.577 -24.609 -7.483 1.00 3.74 H new ATOM 0 HD3 PRO B 128 7.452 -23.265 -7.450 1.00 3.74 H new TER 2480 PRO B 128