USER MOD reduce.3.24.130724 H: found=0, std=0, add=1404, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1404 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 THR OG1 : rot 130:sc= 0.0631 USER MOD Set 1.2: A 138 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 105 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 126 THR OG1 : rot 134:sc= 1.24 USER MOD Set 3.1: A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 127 SER OG : rot 180:sc=-0.00684 USER MOD Set 4.1: A 124 GLN : amide:sc= 0.238 K(o=-0.25,f=-4.2!) USER MOD Set 4.2: A 131 GLN :FLIP amide:sc= -0.487 F(o=-5.7!,f=-0.25) USER MOD Set 5.1: A 86 SER OG : rot 133:sc= 1.48 USER MOD Set 5.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 5.3: A 91 GLN : amide:sc= -3.66! C(o=-2.2!,f=-11!) USER MOD Set 6.1: A 59 GLN : amide:sc= 0.986 K(o=2.1,f=-0.67) USER MOD Set 6.2: A 63 SER OG : rot 99:sc= 1.16 USER MOD Set 7.1: A 4 THR OG1 : rot 101:sc= 1.02 USER MOD Set 7.2: A 130 LYS NZ :NH3+ -176:sc= 1.21 (180deg=-0.0346) USER MOD Single : A 1 GLN :FLIP amide:sc= -0.976 F(o=-2.6!,f=-0.98) USER MOD Single : A 1 GLN N :NH3+ -165:sc= -0.391 (180deg=-0.768) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 6 ASN : amide:sc= -0.0229 K(o=-0.023,f=-1.3!) USER MOD Single : A 15 SER OG : rot -170:sc= -0.874 USER MOD Single : A 19 GLN :FLIP amide:sc= -7.77! C(o=-9.4!,f=-7.8!) USER MOD Single : A 24 THR OG1 : rot -93:sc= 0.0218 USER MOD Single : A 28 GLN :FLIP amide:sc= -2.09 F(o=-2.8!,f=-2.1) USER MOD Single : A 39 ASN : amide:sc= -4.79! C(o=-4.8!,f=-9.7!) USER MOD Single : A 42 GLN : amide:sc= -0.059 K(o=-0.059,f=-0.61) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= -0.0516 (180deg=-0.357) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 47 SER OG : rot 56:sc= 0.301 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 149:sc= -0.728 (180deg=-1.24) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 149:sc= 0.229 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.16 USER MOD Single : A 65 ASN :FLIP amide:sc= -2.02 F(o=-3.5!,f=-2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 0:sc= 0.825 USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -16:sc= -1.65! USER MOD Single : A 96 ASN : amide:sc= -0.0794 K(o=-0.079,f=-2.1!) USER MOD Single : A 98 HIS : no HD1:sc= -0.109 X(o=-0.11,f=-0.0031) USER MOD Single : A 99 SER OG : rot -35:sc= 0.351 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.1!) USER MOD Single : A 104 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.3) USER MOD Single : A 106 TYR OH : rot 180:sc= -0.5 USER MOD Single : A 109 GLN : amide:sc= -7.06! C(o=-7.1!,f=-6.6!) USER MOD Single : A 113 THR OG1 : rot 170:sc= 0.958 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.23 K(o=-0.23,f=-0.99) USER MOD Single : A 120 MET CE :methyl -173:sc= -0.538 (180deg=-0.68) USER MOD Single : A 129 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.15) USER MOD Single : A 132 TYR OH : rot 180:sc= -1.58! USER MOD Single : A 134 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0273) USER MOD Single : A 136 THR OG1 : rot 145:sc= 0.893 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 142 LYS NZ :NH3+ -101:sc= -1.28! (180deg=-2.96!) USER MOD Single : A 145 SER OG : rot 180:sc= 0.00169 USER MOD Single : A 149 LYS NZ :NH3+ 174:sc= 0.617 (180deg=0.37) USER MOD Single : A 154 SER OG : rot 75:sc= 1.22 USER MOD Single : A 157 LYS NZ :NH3+ -177:sc= 0.0926 (180deg=-0.0529) USER MOD Single : A 158 SER OG : rot 52:sc= -0.137 USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 165 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 169 SER OG : rot -30:sc= -0.621 USER MOD Single : A 172 THR OG1 : rot 180:sc= 0 USER MOD Single : A 174 GLN :FLIP amide:sc= -1.06! C(o=-3.4!,f=-1.1!) USER MOD Single : A 178 ASN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -29.147 4.815 -8.159 1.00 10.05 N ATOM 2 CA GLN A 1 -29.412 4.993 -9.605 1.00 9.53 C ATOM 3 C GLN A 1 -28.211 5.649 -10.265 1.00 8.72 C ATOM 4 O GLN A 1 -27.476 5.014 -11.019 1.00 8.81 O ATOM 5 CB GLN A 1 -30.663 5.853 -9.842 1.00 9.95 C ATOM 6 CG GLN A 1 -31.908 5.378 -9.103 1.00 10.89 C ATOM 7 CD GLN A 1 -31.948 5.834 -7.657 1.00 11.00 C ATOM 8 OE1 GLN A 1 -31.399 7.009 -7.386 1.00 10.82 O flip ATOM 9 NE2 GLN A 1 -32.480 5.145 -6.791 1.00 11.52 N flip ATOM 0 H1 GLN A 1 -29.840 4.151 -7.758 1.00 10.05 H new ATOM 0 H2 GLN A 1 -28.188 4.436 -8.026 1.00 10.05 H new ATOM 0 H3 GLN A 1 -29.227 5.732 -7.676 1.00 10.05 H new ATOM 0 HA GLN A 1 -29.587 4.010 -10.042 1.00 9.53 H new ATOM 0 HB2 GLN A 1 -30.446 6.878 -9.540 1.00 9.95 H new ATOM 0 HB3 GLN A 1 -30.877 5.874 -10.911 1.00 9.95 H new ATOM 0 HG2 GLN A 1 -32.794 5.748 -9.620 1.00 10.89 H new ATOM 0 HG3 GLN A 1 -31.951 4.289 -9.136 1.00 10.89 H new ATOM 0 HE21 GLN A 1 -32.893 4.245 -7.037 1.00 11.52 H new ATOM 0 HE22 GLN A 1 -32.509 5.472 -5.825 1.00 11.52 H new ATOM 20 N ASP A 2 -28.016 6.921 -9.972 1.00 8.19 N ATOM 21 CA ASP A 2 -26.849 7.646 -10.444 1.00 7.64 C ATOM 22 C ASP A 2 -26.348 8.577 -9.346 1.00 6.86 C ATOM 23 O ASP A 2 -26.277 9.797 -9.508 1.00 6.69 O ATOM 24 CB ASP A 2 -27.169 8.425 -11.719 1.00 8.16 C ATOM 25 CG ASP A 2 -25.945 9.094 -12.315 1.00 8.50 C ATOM 26 OD1 ASP A 2 -24.828 8.583 -12.098 1.00 8.87 O ATOM 27 OD2 ASP A 2 -26.093 10.137 -12.992 1.00 8.62 O ATOM 0 H ASP A 2 -28.655 7.478 -9.405 1.00 8.19 H new ATOM 0 HA ASP A 2 -26.062 6.931 -10.686 1.00 7.64 H new ATOM 0 HB2 ASP A 2 -27.603 7.748 -12.455 1.00 8.16 H new ATOM 0 HB3 ASP A 2 -27.922 9.182 -11.499 1.00 8.16 H new ATOM 32 N SER A 3 -26.043 7.978 -8.211 1.00 6.71 N ATOM 33 CA SER A 3 -25.479 8.690 -7.082 1.00 6.26 C ATOM 34 C SER A 3 -24.078 8.155 -6.831 1.00 5.42 C ATOM 35 O SER A 3 -23.829 6.960 -7.007 1.00 5.49 O ATOM 36 CB SER A 3 -26.366 8.496 -5.846 1.00 6.98 C ATOM 37 OG SER A 3 -25.887 9.235 -4.731 1.00 7.51 O ATOM 0 H SER A 3 -26.180 6.981 -8.046 1.00 6.71 H new ATOM 0 HA SER A 3 -25.428 9.758 -7.293 1.00 6.26 H new ATOM 0 HB2 SER A 3 -27.385 8.807 -6.077 1.00 6.98 H new ATOM 0 HB3 SER A 3 -26.406 7.437 -5.590 1.00 6.98 H new ATOM 0 HG SER A 3 -26.478 9.088 -3.963 1.00 7.51 H new ATOM 43 N THR A 4 -23.156 9.030 -6.465 1.00 5.01 N ATOM 44 CA THR A 4 -21.784 8.616 -6.263 1.00 4.56 C ATOM 45 C THR A 4 -21.668 7.735 -5.017 1.00 3.84 C ATOM 46 O THR A 4 -22.474 7.834 -4.085 1.00 4.15 O ATOM 47 CB THR A 4 -20.827 9.828 -6.167 1.00 5.23 C ATOM 48 OG1 THR A 4 -19.520 9.444 -6.614 1.00 5.56 O ATOM 49 CG2 THR A 4 -20.738 10.372 -4.747 1.00 5.56 C ATOM 0 H THR A 4 -23.333 10.021 -6.304 1.00 5.01 H new ATOM 0 HA THR A 4 -21.484 8.033 -7.134 1.00 4.56 H new ATOM 0 HB THR A 4 -21.227 10.618 -6.803 1.00 5.23 H new ATOM 0 HG1 THR A 4 -19.383 9.758 -7.532 1.00 5.56 H new ATOM 0 HG21 THR A 4 -20.056 11.222 -4.725 1.00 5.56 H new ATOM 0 HG22 THR A 4 -21.727 10.692 -4.417 1.00 5.56 H new ATOM 0 HG23 THR A 4 -20.368 9.592 -4.081 1.00 5.56 H new ATOM 57 N GLN A 5 -20.666 6.875 -5.014 1.00 3.36 N ATOM 58 CA GLN A 5 -20.473 5.926 -3.947 1.00 3.15 C ATOM 59 C GLN A 5 -19.567 6.527 -2.900 1.00 2.17 C ATOM 60 O GLN A 5 -18.344 6.400 -2.946 1.00 2.51 O ATOM 61 CB GLN A 5 -19.940 4.594 -4.478 1.00 3.99 C ATOM 62 CG GLN A 5 -18.765 4.715 -5.441 1.00 4.99 C ATOM 63 CD GLN A 5 -18.388 3.380 -6.055 1.00 5.91 C ATOM 64 OE1 GLN A 5 -18.572 2.328 -5.445 1.00 6.48 O ATOM 65 NE2 GLN A 5 -17.858 3.413 -7.268 1.00 6.37 N ATOM 0 H GLN A 5 -19.966 6.819 -5.754 1.00 3.36 H new ATOM 0 HA GLN A 5 -21.434 5.706 -3.482 1.00 3.15 H new ATOM 0 HB2 GLN A 5 -19.637 3.977 -3.632 1.00 3.99 H new ATOM 0 HB3 GLN A 5 -20.752 4.068 -4.981 1.00 3.99 H new ATOM 0 HG2 GLN A 5 -19.018 5.419 -6.234 1.00 4.99 H new ATOM 0 HG3 GLN A 5 -17.905 5.126 -4.912 1.00 4.99 H new ATOM 0 HE21 GLN A 5 -17.722 4.306 -7.741 1.00 6.37 H new ATOM 0 HE22 GLN A 5 -17.586 2.545 -7.730 1.00 6.37 H new ATOM 74 N ASN A 6 -20.223 7.259 -2.027 1.00 1.52 N ATOM 75 CA ASN A 6 -19.610 7.930 -0.886 1.00 0.89 C ATOM 76 C ASN A 6 -18.425 7.176 -0.323 1.00 0.78 C ATOM 77 O ASN A 6 -18.495 5.979 -0.024 1.00 1.00 O ATOM 78 CB ASN A 6 -20.628 8.152 0.229 1.00 1.52 C ATOM 79 CG ASN A 6 -21.659 9.200 -0.127 1.00 2.32 C ATOM 80 OD1 ASN A 6 -21.401 10.090 -0.937 1.00 2.86 O ATOM 81 ND2 ASN A 6 -22.824 9.117 0.494 1.00 3.16 N ATOM 0 H ASN A 6 -21.230 7.413 -2.087 1.00 1.52 H new ATOM 0 HA ASN A 6 -19.252 8.888 -1.264 1.00 0.89 H new ATOM 0 HB2 ASN A 6 -21.132 7.211 0.449 1.00 1.52 H new ATOM 0 HB3 ASN A 6 -20.107 8.454 1.137 1.00 1.52 H new ATOM 0 HD21 ASN A 6 -23.551 9.808 0.309 1.00 3.16 H new ATOM 0 HD22 ASN A 6 -22.995 8.362 1.158 1.00 3.16 H new ATOM 88 N LEU A 7 -17.345 7.915 -0.189 1.00 0.58 N ATOM 89 CA LEU A 7 -16.096 7.401 0.343 1.00 0.51 C ATOM 90 C LEU A 7 -16.290 6.820 1.737 1.00 0.45 C ATOM 91 O LEU A 7 -17.094 7.313 2.528 1.00 0.49 O ATOM 92 CB LEU A 7 -15.043 8.526 0.369 1.00 0.52 C ATOM 93 CG LEU A 7 -15.512 9.860 0.968 1.00 0.80 C ATOM 94 CD1 LEU A 7 -15.367 9.855 2.482 1.00 1.73 C ATOM 95 CD2 LEU A 7 -14.740 11.019 0.354 1.00 1.08 C ATOM 0 H LEU A 7 -17.306 8.901 -0.448 1.00 0.58 H new ATOM 0 HA LEU A 7 -15.747 6.597 -0.305 1.00 0.51 H new ATOM 0 HB2 LEU A 7 -14.179 8.178 0.935 1.00 0.52 H new ATOM 0 HB3 LEU A 7 -14.704 8.706 -0.651 1.00 0.52 H new ATOM 0 HG LEU A 7 -16.569 9.988 0.733 1.00 0.80 H new ATOM 0 HD11 LEU A 7 -15.705 10.810 2.883 1.00 1.73 H new ATOM 0 HD12 LEU A 7 -15.970 9.051 2.903 1.00 1.73 H new ATOM 0 HD13 LEU A 7 -14.321 9.700 2.747 1.00 1.73 H new ATOM 0 HD21 LEU A 7 -15.085 11.957 0.789 1.00 1.08 H new ATOM 0 HD22 LEU A 7 -13.676 10.895 0.555 1.00 1.08 H new ATOM 0 HD23 LEU A 7 -14.906 11.037 -0.723 1.00 1.08 H new ATOM 107 N ILE A 8 -15.572 5.751 2.015 1.00 0.43 N ATOM 108 CA ILE A 8 -15.496 5.223 3.353 1.00 0.40 C ATOM 109 C ILE A 8 -14.660 6.162 4.171 1.00 0.40 C ATOM 110 O ILE A 8 -13.686 6.711 3.662 1.00 0.62 O ATOM 111 CB ILE A 8 -14.876 3.802 3.367 1.00 0.41 C ATOM 112 CG1 ILE A 8 -15.982 2.750 3.335 1.00 0.48 C ATOM 113 CG2 ILE A 8 -13.919 3.573 4.554 1.00 0.67 C ATOM 114 CD1 ILE A 8 -15.457 1.346 3.184 1.00 0.47 C ATOM 0 H ILE A 8 -15.031 5.231 1.324 1.00 0.43 H new ATOM 0 HA ILE A 8 -16.500 5.139 3.769 1.00 0.40 H new ATOM 0 HB ILE A 8 -14.265 3.706 2.469 1.00 0.41 H new ATOM 0 HG12 ILE A 8 -16.565 2.817 4.253 1.00 0.48 H new ATOM 0 HG13 ILE A 8 -16.660 2.969 2.510 1.00 0.48 H new ATOM 0 HG21 ILE A 8 -13.518 2.561 4.508 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -13.100 4.290 4.505 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -14.462 3.706 5.490 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -16.292 0.645 3.168 1.00 0.47 H new ATOM 0 HD12 ILE A 8 -14.897 1.265 2.252 1.00 0.47 H new ATOM 0 HD13 ILE A 8 -14.802 1.110 4.022 1.00 0.47 H new ATOM 126 N PRO A 9 -15.072 6.338 5.431 1.00 0.31 N ATOM 127 CA PRO A 9 -14.417 7.135 6.454 1.00 0.28 C ATOM 128 C PRO A 9 -12.999 7.572 6.098 1.00 0.32 C ATOM 129 O PRO A 9 -12.032 6.973 6.555 1.00 0.38 O ATOM 130 CB PRO A 9 -14.419 6.089 7.554 1.00 0.31 C ATOM 131 CG PRO A 9 -15.768 5.439 7.440 1.00 0.35 C ATOM 132 CD PRO A 9 -16.231 5.673 6.022 1.00 0.35 C ATOM 0 HA PRO A 9 -14.896 8.090 6.668 1.00 0.28 H new ATOM 0 HB2 PRO A 9 -13.615 5.366 7.417 1.00 0.31 H new ATOM 0 HB3 PRO A 9 -14.277 6.542 8.535 1.00 0.31 H new ATOM 0 HG2 PRO A 9 -15.706 4.373 7.658 1.00 0.35 H new ATOM 0 HG3 PRO A 9 -16.469 5.870 8.154 1.00 0.35 H new ATOM 0 HD2 PRO A 9 -16.471 4.740 5.512 1.00 0.35 H new ATOM 0 HD3 PRO A 9 -17.124 6.297 5.982 1.00 0.35 H new ATOM 140 N ALA A 10 -12.898 8.624 5.290 1.00 0.36 N ATOM 141 CA ALA A 10 -11.630 9.029 4.702 1.00 0.44 C ATOM 142 C ALA A 10 -10.782 9.819 5.690 1.00 0.42 C ATOM 143 O ALA A 10 -11.084 10.971 6.005 1.00 0.53 O ATOM 144 CB ALA A 10 -11.876 9.841 3.431 1.00 0.62 C ATOM 0 H ALA A 10 -13.688 9.214 5.028 1.00 0.36 H new ATOM 0 HA ALA A 10 -11.075 8.127 4.444 1.00 0.44 H new ATOM 0 HB1 ALA A 10 -10.921 10.139 2.999 1.00 0.62 H new ATOM 0 HB2 ALA A 10 -12.426 9.234 2.712 1.00 0.62 H new ATOM 0 HB3 ALA A 10 -12.457 10.730 3.674 1.00 0.62 H new ATOM 150 N PRO A 11 -9.714 9.196 6.197 1.00 0.35 N ATOM 151 CA PRO A 11 -8.772 9.809 7.108 1.00 0.35 C ATOM 152 C PRO A 11 -7.593 10.413 6.358 1.00 0.39 C ATOM 153 O PRO A 11 -7.140 9.866 5.354 1.00 0.45 O ATOM 154 CB PRO A 11 -8.308 8.620 7.973 1.00 0.35 C ATOM 155 CG PRO A 11 -8.815 7.386 7.287 1.00 0.41 C ATOM 156 CD PRO A 11 -9.326 7.816 5.943 1.00 0.38 C ATOM 0 HA PRO A 11 -9.207 10.627 7.683 1.00 0.35 H new ATOM 0 HB2 PRO A 11 -7.222 8.600 8.058 1.00 0.35 H new ATOM 0 HB3 PRO A 11 -8.706 8.695 8.985 1.00 0.35 H new ATOM 0 HG2 PRO A 11 -8.019 6.649 7.180 1.00 0.41 H new ATOM 0 HG3 PRO A 11 -9.608 6.918 7.870 1.00 0.41 H new ATOM 0 HD2 PRO A 11 -8.559 7.743 5.172 1.00 0.38 H new ATOM 0 HD3 PRO A 11 -10.169 7.209 5.613 1.00 0.38 H new ATOM 164 N PRO A 12 -7.103 11.565 6.806 1.00 0.42 N ATOM 165 CA PRO A 12 -5.905 12.169 6.256 1.00 0.46 C ATOM 166 C PRO A 12 -4.642 11.473 6.748 1.00 0.44 C ATOM 167 O PRO A 12 -4.691 10.683 7.692 1.00 0.41 O ATOM 168 CB PRO A 12 -5.941 13.624 6.748 1.00 0.50 C ATOM 169 CG PRO A 12 -7.243 13.777 7.475 1.00 0.55 C ATOM 170 CD PRO A 12 -7.680 12.393 7.868 1.00 0.48 C ATOM 0 HA PRO A 12 -5.883 12.091 5.169 1.00 0.46 H new ATOM 0 HB2 PRO A 12 -5.098 13.835 7.406 1.00 0.50 H new ATOM 0 HB3 PRO A 12 -5.875 14.321 5.913 1.00 0.50 H new ATOM 0 HG2 PRO A 12 -7.124 14.410 8.354 1.00 0.55 H new ATOM 0 HG3 PRO A 12 -7.989 14.253 6.838 1.00 0.55 H new ATOM 0 HD2 PRO A 12 -7.303 12.112 8.851 1.00 0.48 H new ATOM 0 HD3 PRO A 12 -8.766 12.306 7.906 1.00 0.48 H new ATOM 178 N LEU A 13 -3.530 11.764 6.097 1.00 0.50 N ATOM 179 CA LEU A 13 -2.219 11.238 6.477 1.00 0.51 C ATOM 180 C LEU A 13 -2.029 11.309 7.990 1.00 0.49 C ATOM 181 O LEU A 13 -1.610 10.351 8.620 1.00 0.48 O ATOM 182 CB LEU A 13 -1.167 12.119 5.785 1.00 0.61 C ATOM 183 CG LEU A 13 0.287 11.606 5.728 1.00 0.60 C ATOM 184 CD1 LEU A 13 0.849 11.380 7.115 1.00 0.50 C ATOM 185 CD2 LEU A 13 0.397 10.335 4.894 1.00 0.74 C ATOM 0 H LEU A 13 -3.505 12.377 5.282 1.00 0.50 H new ATOM 0 HA LEU A 13 -2.126 10.194 6.177 1.00 0.51 H new ATOM 0 HB2 LEU A 13 -1.499 12.294 4.762 1.00 0.61 H new ATOM 0 HB3 LEU A 13 -1.160 13.086 6.287 1.00 0.61 H new ATOM 0 HG LEU A 13 0.881 12.381 5.244 1.00 0.60 H new ATOM 0 HD11 LEU A 13 1.875 11.019 7.038 1.00 0.50 H new ATOM 0 HD12 LEU A 13 0.835 12.318 7.670 1.00 0.50 H new ATOM 0 HD13 LEU A 13 0.242 10.640 7.637 1.00 0.50 H new ATOM 0 HD21 LEU A 13 1.434 10.001 4.875 1.00 0.74 H new ATOM 0 HD22 LEU A 13 -0.227 9.557 5.333 1.00 0.74 H new ATOM 0 HD23 LEU A 13 0.062 10.537 3.877 1.00 0.74 H new ATOM 197 N ILE A 14 -2.391 12.431 8.564 1.00 0.52 N ATOM 198 CA ILE A 14 -2.063 12.724 9.948 1.00 0.56 C ATOM 199 C ILE A 14 -2.785 11.790 10.938 1.00 0.54 C ATOM 200 O ILE A 14 -2.551 11.858 12.146 1.00 0.61 O ATOM 201 CB ILE A 14 -2.357 14.212 10.259 1.00 0.66 C ATOM 202 CG1 ILE A 14 -3.750 14.423 10.879 1.00 0.79 C ATOM 203 CG2 ILE A 14 -2.221 15.026 8.972 1.00 0.65 C ATOM 204 CD1 ILE A 14 -4.905 14.139 9.947 1.00 1.05 C ATOM 0 H ILE A 14 -2.918 13.166 8.093 1.00 0.52 H new ATOM 0 HA ILE A 14 -0.997 12.539 10.080 1.00 0.56 H new ATOM 0 HB ILE A 14 -1.632 14.550 11.000 1.00 0.66 H new ATOM 0 HG12 ILE A 14 -3.843 13.783 11.756 1.00 0.79 H new ATOM 0 HG13 ILE A 14 -3.826 15.453 11.226 1.00 0.79 H new ATOM 0 HG21 ILE A 14 -2.426 16.076 9.182 1.00 0.65 H new ATOM 0 HG22 ILE A 14 -1.208 14.925 8.583 1.00 0.65 H new ATOM 0 HG23 ILE A 14 -2.932 14.658 8.232 1.00 0.65 H new ATOM 0 HD11 ILE A 14 -5.846 14.314 10.469 1.00 1.05 H new ATOM 0 HD12 ILE A 14 -4.843 14.797 9.080 1.00 1.05 H new ATOM 0 HD13 ILE A 14 -4.861 13.101 9.618 1.00 1.05 H new ATOM 216 N SER A 15 -3.655 10.921 10.428 1.00 0.46 N ATOM 217 CA SER A 15 -4.318 9.926 11.261 1.00 0.46 C ATOM 218 C SER A 15 -3.410 8.715 11.484 1.00 0.46 C ATOM 219 O SER A 15 -3.565 7.985 12.464 1.00 0.51 O ATOM 220 CB SER A 15 -5.635 9.478 10.620 1.00 0.42 C ATOM 221 OG SER A 15 -6.438 10.600 10.283 1.00 0.92 O ATOM 0 H SER A 15 -3.916 10.887 9.442 1.00 0.46 H new ATOM 0 HA SER A 15 -4.534 10.385 12.226 1.00 0.46 H new ATOM 0 HB2 SER A 15 -5.428 8.891 9.725 1.00 0.42 H new ATOM 0 HB3 SER A 15 -6.178 8.830 11.308 1.00 0.42 H new ATOM 0 HG SER A 15 -7.333 10.296 10.023 1.00 0.92 H new ATOM 227 N VAL A 16 -2.454 8.517 10.582 1.00 0.43 N ATOM 228 CA VAL A 16 -1.571 7.361 10.655 1.00 0.43 C ATOM 229 C VAL A 16 -0.260 7.712 11.370 1.00 0.45 C ATOM 230 O VAL A 16 0.310 8.783 11.155 1.00 0.50 O ATOM 231 CB VAL A 16 -1.282 6.771 9.244 1.00 0.45 C ATOM 232 CG1 VAL A 16 -0.541 7.751 8.340 1.00 0.54 C ATOM 233 CG2 VAL A 16 -0.504 5.468 9.358 1.00 0.45 C ATOM 0 H VAL A 16 -2.272 9.140 9.795 1.00 0.43 H new ATOM 0 HA VAL A 16 -2.086 6.597 11.237 1.00 0.43 H new ATOM 0 HB VAL A 16 -2.249 6.574 8.781 1.00 0.45 H new ATOM 0 HG11 VAL A 16 -0.365 7.288 7.369 1.00 0.54 H new ATOM 0 HG12 VAL A 16 -1.142 8.651 8.210 1.00 0.54 H new ATOM 0 HG13 VAL A 16 0.414 8.015 8.795 1.00 0.54 H new ATOM 0 HG21 VAL A 16 -0.311 5.071 8.361 1.00 0.45 H new ATOM 0 HG22 VAL A 16 0.443 5.653 9.864 1.00 0.45 H new ATOM 0 HG23 VAL A 16 -1.086 4.746 9.930 1.00 0.45 H new ATOM 243 N PRO A 17 0.198 6.826 12.278 1.00 0.46 N ATOM 244 CA PRO A 17 1.481 6.976 12.973 1.00 0.50 C ATOM 245 C PRO A 17 2.661 6.684 12.052 1.00 0.43 C ATOM 246 O PRO A 17 2.528 5.947 11.078 1.00 0.48 O ATOM 247 CB PRO A 17 1.420 5.933 14.103 1.00 0.59 C ATOM 248 CG PRO A 17 0.028 5.391 14.090 1.00 0.53 C ATOM 249 CD PRO A 17 -0.502 5.614 12.705 1.00 0.50 C ATOM 0 HA PRO A 17 1.628 7.994 13.333 1.00 0.50 H new ATOM 0 HB2 PRO A 17 2.149 5.139 13.941 1.00 0.59 H new ATOM 0 HB3 PRO A 17 1.653 6.387 15.066 1.00 0.59 H new ATOM 0 HG2 PRO A 17 0.022 4.330 14.342 1.00 0.53 H new ATOM 0 HG3 PRO A 17 -0.593 5.897 14.829 1.00 0.53 H new ATOM 0 HD2 PRO A 17 -0.286 4.771 12.049 1.00 0.50 H new ATOM 0 HD3 PRO A 17 -1.583 5.750 12.703 1.00 0.50 H new ATOM 257 N LEU A 18 3.811 7.257 12.370 1.00 0.42 N ATOM 258 CA LEU A 18 4.989 7.123 11.523 1.00 0.38 C ATOM 259 C LEU A 18 6.008 6.183 12.164 1.00 0.33 C ATOM 260 O LEU A 18 6.066 6.064 13.390 1.00 0.35 O ATOM 261 CB LEU A 18 5.606 8.506 11.289 1.00 0.46 C ATOM 262 CG LEU A 18 6.677 8.571 10.199 1.00 0.63 C ATOM 263 CD1 LEU A 18 6.122 8.061 8.877 1.00 1.15 C ATOM 264 CD2 LEU A 18 7.199 9.993 10.050 1.00 1.07 C ATOM 0 H LEU A 18 3.955 7.820 13.208 1.00 0.42 H new ATOM 0 HA LEU A 18 4.694 6.695 10.565 1.00 0.38 H new ATOM 0 HB2 LEU A 18 4.808 9.202 11.032 1.00 0.46 H new ATOM 0 HB3 LEU A 18 6.043 8.853 12.225 1.00 0.46 H new ATOM 0 HG LEU A 18 7.509 7.930 10.492 1.00 0.63 H new ATOM 0 HD11 LEU A 18 6.897 8.114 8.112 1.00 1.15 H new ATOM 0 HD12 LEU A 18 5.797 7.027 8.993 1.00 1.15 H new ATOM 0 HD13 LEU A 18 5.274 8.676 8.577 1.00 1.15 H new ATOM 0 HD21 LEU A 18 7.960 10.021 9.270 1.00 1.07 H new ATOM 0 HD22 LEU A 18 6.377 10.656 9.779 1.00 1.07 H new ATOM 0 HD23 LEU A 18 7.634 10.322 10.994 1.00 1.07 H new ATOM 276 N GLN A 19 6.802 5.508 11.329 1.00 0.36 N ATOM 277 CA GLN A 19 7.827 4.585 11.815 1.00 0.47 C ATOM 278 C GLN A 19 8.923 5.354 12.562 1.00 0.62 C ATOM 279 O GLN A 19 9.253 6.485 12.207 1.00 0.68 O ATOM 280 CB GLN A 19 8.453 3.762 10.660 1.00 0.49 C ATOM 281 CG GLN A 19 9.447 4.514 9.785 1.00 1.04 C ATOM 282 CD GLN A 19 8.851 5.712 9.069 1.00 2.08 C ATOM 283 OE1 GLN A 19 8.245 5.474 7.923 1.00 2.68 O flip ATOM 284 NE2 GLN A 19 8.932 6.836 9.542 1.00 2.93 N flip ATOM 0 H GLN A 19 6.754 5.584 10.313 1.00 0.36 H new ATOM 0 HA GLN A 19 7.343 3.888 12.499 1.00 0.47 H new ATOM 0 HB2 GLN A 19 8.955 2.893 11.086 1.00 0.49 H new ATOM 0 HB3 GLN A 19 7.649 3.387 10.027 1.00 0.49 H new ATOM 0 HG2 GLN A 19 10.279 4.850 10.403 1.00 1.04 H new ATOM 0 HG3 GLN A 19 9.857 3.827 9.044 1.00 1.04 H new ATOM 0 HE21 GLN A 19 9.409 6.982 10.432 1.00 2.93 H new ATOM 0 HE22 GLN A 19 8.523 7.628 9.047 1.00 2.93 H new ATOM 293 N PRO A 20 9.476 4.771 13.632 1.00 0.92 N ATOM 294 CA PRO A 20 10.575 5.386 14.369 1.00 1.20 C ATOM 295 C PRO A 20 11.938 5.128 13.726 1.00 1.19 C ATOM 296 O PRO A 20 12.293 3.983 13.431 1.00 1.36 O ATOM 297 CB PRO A 20 10.492 4.714 15.735 1.00 1.58 C ATOM 298 CG PRO A 20 9.895 3.369 15.477 1.00 1.65 C ATOM 299 CD PRO A 20 9.050 3.492 14.231 1.00 1.15 C ATOM 0 HA PRO A 20 10.487 6.472 14.400 1.00 1.20 H new ATOM 0 HB2 PRO A 20 11.478 4.626 16.190 1.00 1.58 H new ATOM 0 HB3 PRO A 20 9.875 5.293 16.421 1.00 1.58 H new ATOM 0 HG2 PRO A 20 10.676 2.620 15.341 1.00 1.65 H new ATOM 0 HG3 PRO A 20 9.289 3.047 16.324 1.00 1.65 H new ATOM 0 HD2 PRO A 20 9.219 2.657 13.551 1.00 1.15 H new ATOM 0 HD3 PRO A 20 7.986 3.498 14.470 1.00 1.15 H new ATOM 307 N GLY A 21 12.690 6.202 13.506 1.00 1.32 N ATOM 308 CA GLY A 21 14.035 6.086 12.970 1.00 1.38 C ATOM 309 C GLY A 21 14.062 5.620 11.526 1.00 1.06 C ATOM 310 O GLY A 21 14.700 4.616 11.205 1.00 1.29 O ATOM 0 H GLY A 21 12.389 7.159 13.691 1.00 1.32 H new ATOM 0 HA2 GLY A 21 14.533 7.053 13.043 1.00 1.38 H new ATOM 0 HA3 GLY A 21 14.605 5.387 13.582 1.00 1.38 H new ATOM 314 N PHE A 22 13.385 6.354 10.655 1.00 0.69 N ATOM 315 CA PHE A 22 13.303 5.991 9.244 1.00 0.51 C ATOM 316 C PHE A 22 14.540 6.436 8.472 1.00 0.51 C ATOM 317 O PHE A 22 15.043 7.543 8.660 1.00 0.68 O ATOM 318 CB PHE A 22 12.066 6.621 8.610 1.00 0.71 C ATOM 319 CG PHE A 22 11.817 6.177 7.197 1.00 1.19 C ATOM 320 CD1 PHE A 22 11.177 4.978 6.940 1.00 0.91 C ATOM 321 CD2 PHE A 22 12.221 6.958 6.124 1.00 2.08 C ATOM 322 CE1 PHE A 22 10.939 4.566 5.652 1.00 1.43 C ATOM 323 CE2 PHE A 22 11.988 6.549 4.827 1.00 2.66 C ATOM 324 CZ PHE A 22 11.346 5.351 4.590 1.00 2.32 C ATOM 0 H PHE A 22 12.882 7.207 10.900 1.00 0.69 H new ATOM 0 HA PHE A 22 13.238 4.904 9.193 1.00 0.51 H new ATOM 0 HB2 PHE A 22 11.194 6.377 9.217 1.00 0.71 H new ATOM 0 HB3 PHE A 22 12.173 7.706 8.627 1.00 0.71 H new ATOM 0 HD1 PHE A 22 10.860 4.357 7.765 1.00 0.91 H new ATOM 0 HD2 PHE A 22 12.723 7.897 6.306 1.00 2.08 H new ATOM 0 HE1 PHE A 22 10.434 3.629 5.469 1.00 1.43 H new ATOM 0 HE2 PHE A 22 12.307 7.165 3.999 1.00 2.66 H new ATOM 0 HZ PHE A 22 11.162 5.027 3.576 1.00 2.32 H new ATOM 334 N TRP A 23 15.025 5.558 7.610 1.00 0.48 N ATOM 335 CA TRP A 23 16.085 5.897 6.675 1.00 0.57 C ATOM 336 C TRP A 23 15.726 5.347 5.294 1.00 0.50 C ATOM 337 O TRP A 23 14.968 4.382 5.207 1.00 0.51 O ATOM 338 CB TRP A 23 17.434 5.345 7.161 1.00 0.78 C ATOM 339 CG TRP A 23 18.599 5.770 6.319 1.00 1.35 C ATOM 340 CD1 TRP A 23 18.829 7.015 5.805 1.00 2.36 C ATOM 341 CD2 TRP A 23 19.703 4.957 5.906 1.00 2.01 C ATOM 342 NE1 TRP A 23 19.994 7.018 5.082 1.00 3.05 N ATOM 343 CE2 TRP A 23 20.555 5.769 5.135 1.00 2.82 C ATOM 344 CE3 TRP A 23 20.055 3.619 6.113 1.00 2.70 C ATOM 345 CZ2 TRP A 23 21.731 5.288 4.566 1.00 3.70 C ATOM 346 CZ3 TRP A 23 21.223 3.143 5.550 1.00 3.72 C ATOM 347 CH2 TRP A 23 22.051 3.976 4.787 1.00 4.03 C ATOM 0 H TRP A 23 14.697 4.595 7.538 1.00 0.48 H new ATOM 0 HA TRP A 23 16.183 6.981 6.611 1.00 0.57 H new ATOM 0 HB2 TRP A 23 17.601 5.671 8.188 1.00 0.78 H new ATOM 0 HB3 TRP A 23 17.386 4.256 7.176 1.00 0.78 H new ATOM 0 HD1 TRP A 23 18.187 7.872 5.947 1.00 2.36 H new ATOM 0 HE1 TRP A 23 20.381 7.820 4.585 1.00 3.05 H new ATOM 0 HE3 TRP A 23 19.425 2.970 6.703 1.00 2.70 H new ATOM 0 HZ2 TRP A 23 22.367 5.927 3.972 1.00 3.70 H new ATOM 0 HZ3 TRP A 23 21.503 2.111 5.701 1.00 3.72 H new ATOM 0 HH2 TRP A 23 22.960 3.575 4.365 1.00 4.03 H new ATOM 358 N THR A 24 16.252 5.959 4.234 1.00 0.50 N ATOM 359 CA THR A 24 15.952 5.547 2.860 1.00 0.47 C ATOM 360 C THR A 24 16.124 4.044 2.659 1.00 0.46 C ATOM 361 O THR A 24 15.181 3.332 2.304 1.00 0.48 O ATOM 362 CB THR A 24 16.887 6.269 1.880 1.00 0.50 C ATOM 363 OG1 THR A 24 18.157 6.485 2.505 1.00 0.58 O ATOM 364 CG2 THR A 24 16.298 7.588 1.422 1.00 0.53 C ATOM 0 H THR A 24 16.894 6.749 4.300 1.00 0.50 H new ATOM 0 HA THR A 24 14.911 5.809 2.672 1.00 0.47 H new ATOM 0 HB THR A 24 17.013 5.641 0.998 1.00 0.50 H new ATOM 0 HG1 THR A 24 18.169 7.371 2.925 1.00 0.58 H new ATOM 0 HG21 THR A 24 16.986 8.073 0.729 1.00 0.53 H new ATOM 0 HG22 THR A 24 15.347 7.407 0.922 1.00 0.53 H new ATOM 0 HG23 THR A 24 16.137 8.234 2.285 1.00 0.53 H new ATOM 372 N GLU A 25 17.332 3.573 2.938 1.00 0.53 N ATOM 373 CA GLU A 25 17.720 2.196 2.669 1.00 0.60 C ATOM 374 C GLU A 25 17.004 1.219 3.607 1.00 0.60 C ATOM 375 O GLU A 25 16.870 0.031 3.306 1.00 0.63 O ATOM 376 CB GLU A 25 19.238 2.072 2.817 1.00 0.71 C ATOM 377 CG GLU A 25 19.799 0.700 2.488 1.00 1.31 C ATOM 378 CD GLU A 25 21.298 0.644 2.676 1.00 1.63 C ATOM 379 OE1 GLU A 25 22.032 1.021 1.737 1.00 1.94 O ATOM 380 OE2 GLU A 25 21.751 0.235 3.769 1.00 1.88 O ATOM 0 H GLU A 25 18.071 4.136 3.358 1.00 0.53 H new ATOM 0 HA GLU A 25 17.426 1.937 1.652 1.00 0.60 H new ATOM 0 HB2 GLU A 25 19.714 2.809 2.169 1.00 0.71 H new ATOM 0 HB3 GLU A 25 19.511 2.325 3.842 1.00 0.71 H new ATOM 0 HG2 GLU A 25 19.325 -0.048 3.124 1.00 1.31 H new ATOM 0 HG3 GLU A 25 19.553 0.445 1.457 1.00 1.31 H new ATOM 387 N ARG A 26 16.517 1.737 4.733 1.00 0.64 N ATOM 388 CA ARG A 26 15.822 0.916 5.723 1.00 0.76 C ATOM 389 C ARG A 26 14.432 0.523 5.234 1.00 0.71 C ATOM 390 O ARG A 26 13.755 -0.295 5.854 1.00 0.87 O ATOM 391 CB ARG A 26 15.706 1.658 7.057 1.00 0.96 C ATOM 392 CG ARG A 26 17.005 1.726 7.842 1.00 1.62 C ATOM 393 CD ARG A 26 17.522 0.335 8.163 1.00 2.07 C ATOM 394 NE ARG A 26 18.545 0.351 9.205 1.00 2.61 N ATOM 395 CZ ARG A 26 19.098 -0.746 9.715 1.00 3.42 C ATOM 396 NH1 ARG A 26 18.793 -1.938 9.210 1.00 3.88 N ATOM 397 NH2 ARG A 26 19.956 -0.649 10.722 1.00 4.18 N ATOM 0 H ARG A 26 16.591 2.723 4.983 1.00 0.64 H new ATOM 0 HA ARG A 26 16.410 0.010 5.868 1.00 0.76 H new ATOM 0 HB2 ARG A 26 15.355 2.672 6.867 1.00 0.96 H new ATOM 0 HB3 ARG A 26 14.949 1.168 7.669 1.00 0.96 H new ATOM 0 HG2 ARG A 26 17.753 2.272 7.267 1.00 1.62 H new ATOM 0 HG3 ARG A 26 16.846 2.281 8.767 1.00 1.62 H new ATOM 0 HD2 ARG A 26 16.691 -0.294 8.482 1.00 2.07 H new ATOM 0 HD3 ARG A 26 17.934 -0.115 7.259 1.00 2.07 H new ATOM 0 HE ARG A 26 18.853 1.255 9.562 1.00 2.61 H new ATOM 0 HH11 ARG A 26 18.136 -2.010 8.433 1.00 3.88 H new ATOM 0 HH12 ARG A 26 19.216 -2.780 9.600 1.00 3.88 H new ATOM 0 HH21 ARG A 26 20.191 0.267 11.105 1.00 4.18 H new ATOM 0 HH22 ARG A 26 20.380 -1.490 11.113 1.00 4.18 H new ATOM 411 N PHE A 27 14.016 1.112 4.127 1.00 0.59 N ATOM 412 CA PHE A 27 12.712 0.829 3.554 1.00 0.61 C ATOM 413 C PHE A 27 12.886 0.272 2.142 1.00 0.51 C ATOM 414 O PHE A 27 11.981 0.328 1.316 1.00 0.72 O ATOM 415 CB PHE A 27 11.884 2.120 3.537 1.00 0.71 C ATOM 416 CG PHE A 27 10.390 1.924 3.543 1.00 1.11 C ATOM 417 CD1 PHE A 27 9.717 1.607 4.717 1.00 0.95 C ATOM 418 CD2 PHE A 27 9.657 2.080 2.380 1.00 1.74 C ATOM 419 CE1 PHE A 27 8.346 1.446 4.723 1.00 1.39 C ATOM 420 CE2 PHE A 27 8.286 1.918 2.383 1.00 2.21 C ATOM 421 CZ PHE A 27 7.629 1.601 3.555 1.00 2.03 C ATOM 0 H PHE A 27 14.566 1.793 3.604 1.00 0.59 H new ATOM 0 HA PHE A 27 12.189 0.084 4.153 1.00 0.61 H new ATOM 0 HB2 PHE A 27 12.159 2.721 4.404 1.00 0.71 H new ATOM 0 HB3 PHE A 27 12.155 2.695 2.652 1.00 0.71 H new ATOM 0 HD1 PHE A 27 10.273 1.485 5.635 1.00 0.95 H new ATOM 0 HD2 PHE A 27 10.163 2.331 1.460 1.00 1.74 H new ATOM 0 HE1 PHE A 27 7.835 1.199 5.642 1.00 1.39 H new ATOM 0 HE2 PHE A 27 7.727 2.039 1.467 1.00 2.21 H new ATOM 0 HZ PHE A 27 6.556 1.475 3.557 1.00 2.03 H new ATOM 431 N GLN A 28 14.066 -0.274 1.875 1.00 0.40 N ATOM 432 CA GLN A 28 14.392 -0.770 0.545 1.00 0.31 C ATOM 433 C GLN A 28 14.383 -2.289 0.489 1.00 0.30 C ATOM 434 O GLN A 28 14.865 -2.968 1.399 1.00 0.37 O ATOM 435 CB GLN A 28 15.753 -0.233 0.100 1.00 0.28 C ATOM 436 CG GLN A 28 16.316 -0.904 -1.146 1.00 0.45 C ATOM 437 CD GLN A 28 17.688 -0.381 -1.519 1.00 0.77 C ATOM 438 OE1 GLN A 28 18.017 -0.424 -2.803 1.00 1.73 O flip ATOM 439 NE2 GLN A 28 18.456 0.046 -0.661 1.00 1.23 N flip ATOM 0 H GLN A 28 14.812 -0.384 2.562 1.00 0.40 H new ATOM 0 HA GLN A 28 13.622 -0.411 -0.138 1.00 0.31 H new ATOM 0 HB2 GLN A 28 15.665 0.837 -0.087 1.00 0.28 H new ATOM 0 HB3 GLN A 28 16.464 -0.356 0.917 1.00 0.28 H new ATOM 0 HG2 GLN A 28 16.374 -1.980 -0.980 1.00 0.45 H new ATOM 0 HG3 GLN A 28 15.632 -0.746 -1.980 1.00 0.45 H new ATOM 0 HE21 GLN A 28 18.168 0.064 0.317 1.00 1.23 H new ATOM 0 HE22 GLN A 28 19.381 0.383 -0.927 1.00 1.23 H new ATOM 448 N GLY A 29 13.839 -2.805 -0.599 1.00 0.29 N ATOM 449 CA GLY A 29 13.806 -4.235 -0.820 1.00 0.32 C ATOM 450 C GLY A 29 12.441 -4.732 -1.233 1.00 0.30 C ATOM 451 O GLY A 29 11.568 -3.944 -1.606 1.00 0.28 O ATOM 0 H GLY A 29 13.414 -2.252 -1.343 1.00 0.29 H new ATOM 0 HA2 GLY A 29 14.531 -4.496 -1.591 1.00 0.32 H new ATOM 0 HA3 GLY A 29 14.113 -4.746 0.092 1.00 0.32 H new ATOM 455 N ARG A 30 12.265 -6.045 -1.172 1.00 0.35 N ATOM 456 CA ARG A 30 11.021 -6.677 -1.583 1.00 0.36 C ATOM 457 C ARG A 30 10.032 -6.689 -0.437 1.00 0.39 C ATOM 458 O ARG A 30 10.292 -7.280 0.611 1.00 0.51 O ATOM 459 CB ARG A 30 11.249 -8.122 -2.045 1.00 0.46 C ATOM 460 CG ARG A 30 11.987 -8.263 -3.368 1.00 0.51 C ATOM 461 CD ARG A 30 13.450 -7.882 -3.249 1.00 0.66 C ATOM 462 NE ARG A 30 14.120 -8.608 -2.171 1.00 1.20 N ATOM 463 CZ ARG A 30 15.442 -8.737 -2.080 1.00 1.70 C ATOM 464 NH1 ARG A 30 16.230 -8.220 -3.019 1.00 1.65 N ATOM 465 NH2 ARG A 30 15.975 -9.385 -1.055 1.00 2.57 N ATOM 0 H ARG A 30 12.975 -6.697 -0.839 1.00 0.35 H new ATOM 0 HA ARG A 30 10.626 -6.096 -2.416 1.00 0.36 H new ATOM 0 HB2 ARG A 30 11.811 -8.650 -1.274 1.00 0.46 H new ATOM 0 HB3 ARG A 30 10.282 -8.618 -2.131 1.00 0.46 H new ATOM 0 HG2 ARG A 30 11.908 -9.292 -3.719 1.00 0.51 H new ATOM 0 HG3 ARG A 30 11.509 -7.633 -4.118 1.00 0.51 H new ATOM 0 HD2 ARG A 30 13.956 -8.087 -4.193 1.00 0.66 H new ATOM 0 HD3 ARG A 30 13.532 -6.810 -3.069 1.00 0.66 H new ATOM 0 HE ARG A 30 13.543 -9.039 -1.449 1.00 1.20 H new ATOM 0 HH11 ARG A 30 15.822 -7.723 -3.811 1.00 1.65 H new ATOM 0 HH12 ARG A 30 17.243 -8.320 -2.947 1.00 1.65 H new ATOM 0 HH21 ARG A 30 15.373 -9.785 -0.336 1.00 2.57 H new ATOM 0 HH22 ARG A 30 16.988 -9.484 -0.985 1.00 2.57 H new ATOM 479 N TRP A 31 8.911 -6.033 -0.632 1.00 0.34 N ATOM 480 CA TRP A 31 7.851 -6.064 0.350 1.00 0.42 C ATOM 481 C TRP A 31 6.615 -6.709 -0.246 1.00 0.34 C ATOM 482 O TRP A 31 5.965 -6.154 -1.138 1.00 0.34 O ATOM 483 CB TRP A 31 7.557 -4.661 0.869 1.00 0.55 C ATOM 484 CG TRP A 31 8.685 -4.109 1.685 1.00 0.85 C ATOM 485 CD1 TRP A 31 9.801 -3.474 1.221 1.00 1.94 C ATOM 486 CD2 TRP A 31 8.820 -4.168 3.107 1.00 0.74 C ATOM 487 NE1 TRP A 31 10.610 -3.115 2.270 1.00 1.91 N ATOM 488 CE2 TRP A 31 10.033 -3.534 3.440 1.00 0.91 C ATOM 489 CE3 TRP A 31 8.029 -4.691 4.133 1.00 1.79 C ATOM 490 CZ2 TRP A 31 10.469 -3.410 4.755 1.00 0.90 C ATOM 491 CZ3 TRP A 31 8.466 -4.568 5.437 1.00 2.36 C ATOM 492 CH2 TRP A 31 9.675 -3.932 5.738 1.00 1.70 C ATOM 0 H TRP A 31 8.710 -5.472 -1.460 1.00 0.34 H new ATOM 0 HA TRP A 31 8.170 -6.665 1.202 1.00 0.42 H new ATOM 0 HB2 TRP A 31 7.363 -3.998 0.026 1.00 0.55 H new ATOM 0 HB3 TRP A 31 6.650 -4.682 1.474 1.00 0.55 H new ATOM 0 HD1 TRP A 31 10.016 -3.282 0.180 1.00 1.94 H new ATOM 0 HE1 TRP A 31 11.497 -2.617 2.191 1.00 1.91 H new ATOM 0 HE3 TRP A 31 7.093 -5.182 3.910 1.00 1.79 H new ATOM 0 HZ2 TRP A 31 11.401 -2.919 4.991 1.00 0.90 H new ATOM 0 HZ3 TRP A 31 7.864 -4.970 6.239 1.00 2.36 H new ATOM 0 HH2 TRP A 31 9.988 -3.852 6.769 1.00 1.70 H new ATOM 503 N PHE A 32 6.318 -7.901 0.238 1.00 0.31 N ATOM 504 CA PHE A 32 5.200 -8.673 -0.268 1.00 0.30 C ATOM 505 C PHE A 32 3.927 -8.308 0.462 1.00 0.29 C ATOM 506 O PHE A 32 3.928 -8.121 1.679 1.00 0.33 O ATOM 507 CB PHE A 32 5.465 -10.170 -0.121 1.00 0.38 C ATOM 508 CG PHE A 32 6.401 -10.728 -1.152 1.00 0.63 C ATOM 509 CD1 PHE A 32 7.774 -10.638 -0.992 1.00 1.10 C ATOM 510 CD2 PHE A 32 5.901 -11.353 -2.282 1.00 0.68 C ATOM 511 CE1 PHE A 32 8.632 -11.161 -1.942 1.00 1.62 C ATOM 512 CE2 PHE A 32 6.751 -11.879 -3.233 1.00 1.17 C ATOM 513 CZ PHE A 32 8.119 -11.782 -3.063 1.00 1.64 C ATOM 0 H PHE A 32 6.840 -8.357 0.986 1.00 0.31 H new ATOM 0 HA PHE A 32 5.083 -8.438 -1.326 1.00 0.30 H new ATOM 0 HB2 PHE A 32 5.877 -10.360 0.870 1.00 0.38 H new ATOM 0 HB3 PHE A 32 4.517 -10.704 -0.179 1.00 0.38 H new ATOM 0 HD1 PHE A 32 8.179 -10.154 -0.116 1.00 1.10 H new ATOM 0 HD2 PHE A 32 4.833 -11.430 -2.421 1.00 0.68 H new ATOM 0 HE1 PHE A 32 9.701 -11.084 -1.807 1.00 1.62 H new ATOM 0 HE2 PHE A 32 6.348 -12.366 -4.109 1.00 1.17 H new ATOM 0 HZ PHE A 32 8.786 -12.192 -3.807 1.00 1.64 H new ATOM 523 N VAL A 33 2.849 -8.184 -0.288 1.00 0.28 N ATOM 524 CA VAL A 33 1.549 -7.926 0.300 1.00 0.30 C ATOM 525 C VAL A 33 0.995 -9.218 0.867 1.00 0.31 C ATOM 526 O VAL A 33 0.804 -10.183 0.137 1.00 0.52 O ATOM 527 CB VAL A 33 0.544 -7.369 -0.729 1.00 0.34 C ATOM 528 CG1 VAL A 33 -0.552 -6.563 -0.049 1.00 0.74 C ATOM 529 CG2 VAL A 33 1.250 -6.546 -1.783 1.00 0.74 C ATOM 0 H VAL A 33 2.848 -8.258 -1.305 1.00 0.28 H new ATOM 0 HA VAL A 33 1.684 -7.178 1.081 1.00 0.30 H new ATOM 0 HB VAL A 33 0.071 -8.217 -1.225 1.00 0.34 H new ATOM 0 HG11 VAL A 33 -1.244 -6.184 -0.801 1.00 0.74 H new ATOM 0 HG12 VAL A 33 -1.091 -7.200 0.652 1.00 0.74 H new ATOM 0 HG13 VAL A 33 -0.107 -5.726 0.490 1.00 0.74 H new ATOM 0 HG21 VAL A 33 0.520 -6.165 -2.497 1.00 0.74 H new ATOM 0 HG22 VAL A 33 1.764 -5.710 -1.308 1.00 0.74 H new ATOM 0 HG23 VAL A 33 1.976 -7.169 -2.305 1.00 0.74 H new ATOM 539 N VAL A 34 0.767 -9.255 2.162 1.00 0.20 N ATOM 540 CA VAL A 34 0.195 -10.443 2.778 1.00 0.25 C ATOM 541 C VAL A 34 -1.247 -10.163 3.203 1.00 0.28 C ATOM 542 O VAL A 34 -2.026 -11.077 3.469 1.00 0.47 O ATOM 543 CB VAL A 34 1.036 -10.920 3.986 1.00 0.30 C ATOM 544 CG1 VAL A 34 0.650 -12.332 4.395 1.00 0.40 C ATOM 545 CG2 VAL A 34 2.524 -10.851 3.668 1.00 0.29 C ATOM 0 H VAL A 34 0.964 -8.489 2.806 1.00 0.20 H new ATOM 0 HA VAL A 34 0.202 -11.245 2.040 1.00 0.25 H new ATOM 0 HB VAL A 34 0.828 -10.252 4.822 1.00 0.30 H new ATOM 0 HG11 VAL A 34 1.256 -12.643 5.246 1.00 0.40 H new ATOM 0 HG12 VAL A 34 -0.404 -12.355 4.672 1.00 0.40 H new ATOM 0 HG13 VAL A 34 0.821 -13.012 3.560 1.00 0.40 H new ATOM 0 HG21 VAL A 34 3.097 -11.191 4.531 1.00 0.29 H new ATOM 0 HG22 VAL A 34 2.743 -11.490 2.813 1.00 0.29 H new ATOM 0 HG23 VAL A 34 2.798 -9.823 3.433 1.00 0.29 H new ATOM 555 N GLY A 35 -1.602 -8.885 3.236 1.00 0.19 N ATOM 556 CA GLY A 35 -2.969 -8.497 3.518 1.00 0.19 C ATOM 557 C GLY A 35 -3.253 -7.099 3.019 1.00 0.17 C ATOM 558 O GLY A 35 -2.316 -6.338 2.758 1.00 0.18 O ATOM 0 H GLY A 35 -0.963 -8.107 3.071 1.00 0.19 H new ATOM 0 HA2 GLY A 35 -3.655 -9.201 3.046 1.00 0.19 H new ATOM 0 HA3 GLY A 35 -3.150 -8.547 4.592 1.00 0.19 H new ATOM 562 N LEU A 36 -4.523 -6.743 2.886 1.00 0.17 N ATOM 563 CA LEU A 36 -4.871 -5.415 2.417 1.00 0.18 C ATOM 564 C LEU A 36 -6.258 -5.005 2.878 1.00 0.16 C ATOM 565 O LEU A 36 -7.192 -5.796 2.856 1.00 0.18 O ATOM 566 CB LEU A 36 -4.804 -5.329 0.895 1.00 0.20 C ATOM 567 CG LEU A 36 -4.704 -3.895 0.372 1.00 0.24 C ATOM 568 CD1 LEU A 36 -3.392 -3.271 0.825 1.00 0.31 C ATOM 569 CD2 LEU A 36 -4.827 -3.863 -1.140 1.00 0.30 C ATOM 0 H LEU A 36 -5.318 -7.348 3.094 1.00 0.17 H new ATOM 0 HA LEU A 36 -4.139 -4.731 2.847 1.00 0.18 H new ATOM 0 HB2 LEU A 36 -3.942 -5.897 0.544 1.00 0.20 H new ATOM 0 HB3 LEU A 36 -5.691 -5.801 0.472 1.00 0.20 H new ATOM 0 HG LEU A 36 -5.528 -3.312 0.783 1.00 0.24 H new ATOM 0 HD11 LEU A 36 -3.326 -2.250 0.450 1.00 0.31 H new ATOM 0 HD12 LEU A 36 -3.351 -3.261 1.914 1.00 0.31 H new ATOM 0 HD13 LEU A 36 -2.558 -3.855 0.436 1.00 0.31 H new ATOM 0 HD21 LEU A 36 -4.753 -2.833 -1.489 1.00 0.30 H new ATOM 0 HD22 LEU A 36 -4.026 -4.455 -1.583 1.00 0.30 H new ATOM 0 HD23 LEU A 36 -5.791 -4.278 -1.436 1.00 0.30 H new ATOM 581 N ALA A 37 -6.376 -3.752 3.262 1.00 0.17 N ATOM 582 CA ALA A 37 -7.632 -3.195 3.737 1.00 0.18 C ATOM 583 C ALA A 37 -7.832 -1.841 3.101 1.00 0.24 C ATOM 584 O ALA A 37 -6.870 -1.118 2.911 1.00 0.43 O ATOM 585 CB ALA A 37 -7.604 -3.033 5.246 1.00 0.25 C ATOM 0 H ALA A 37 -5.603 -3.086 3.255 1.00 0.17 H new ATOM 0 HA ALA A 37 -8.446 -3.869 3.470 1.00 0.18 H new ATOM 0 HB1 ALA A 37 -8.552 -2.615 5.585 1.00 0.25 H new ATOM 0 HB2 ALA A 37 -7.449 -4.005 5.713 1.00 0.25 H new ATOM 0 HB3 ALA A 37 -6.791 -2.362 5.525 1.00 0.25 H new ATOM 591 N GLY A 38 -9.055 -1.495 2.763 1.00 0.22 N ATOM 592 CA GLY A 38 -9.301 -0.203 2.163 1.00 0.26 C ATOM 593 C GLY A 38 -10.555 -0.169 1.342 1.00 0.25 C ATOM 594 O GLY A 38 -10.978 -1.180 0.796 1.00 0.26 O ATOM 0 H GLY A 38 -9.881 -2.079 2.891 1.00 0.22 H new ATOM 0 HA2 GLY A 38 -9.367 0.550 2.948 1.00 0.26 H new ATOM 0 HA3 GLY A 38 -8.453 0.067 1.533 1.00 0.26 H new ATOM 598 N ASN A 39 -11.151 1.005 1.241 1.00 0.26 N ATOM 599 CA ASN A 39 -12.406 1.140 0.531 1.00 0.27 C ATOM 600 C ASN A 39 -12.180 1.020 -0.976 1.00 0.32 C ATOM 601 O ASN A 39 -13.106 0.751 -1.739 1.00 0.40 O ATOM 602 CB ASN A 39 -13.109 2.461 0.880 1.00 0.31 C ATOM 603 CG ASN A 39 -12.228 3.695 0.712 1.00 1.08 C ATOM 604 OD1 ASN A 39 -11.287 3.713 -0.078 1.00 1.94 O ATOM 605 ND2 ASN A 39 -12.531 4.742 1.463 1.00 1.73 N ATOM 0 H ASN A 39 -10.789 1.871 1.639 1.00 0.26 H new ATOM 0 HA ASN A 39 -13.062 0.329 0.847 1.00 0.27 H new ATOM 0 HB2 ASN A 39 -13.992 2.569 0.250 1.00 0.31 H new ATOM 0 HB3 ASN A 39 -13.458 2.414 1.912 1.00 0.31 H new ATOM 0 HD21 ASN A 39 -11.977 5.596 1.395 1.00 1.73 H new ATOM 0 HD22 ASN A 39 -13.319 4.695 2.109 1.00 1.73 H new ATOM 612 N ALA A 40 -10.930 1.219 -1.389 1.00 0.34 N ATOM 613 CA ALA A 40 -10.540 1.061 -2.782 1.00 0.41 C ATOM 614 C ALA A 40 -9.977 -0.336 -3.021 1.00 0.39 C ATOM 615 O ALA A 40 -9.610 -0.692 -4.142 1.00 0.45 O ATOM 616 CB ALA A 40 -9.517 2.120 -3.159 1.00 0.46 C ATOM 0 H ALA A 40 -10.167 1.492 -0.770 1.00 0.34 H new ATOM 0 HA ALA A 40 -11.421 1.187 -3.411 1.00 0.41 H new ATOM 0 HB1 ALA A 40 -9.231 1.994 -4.203 1.00 0.46 H new ATOM 0 HB2 ALA A 40 -9.950 3.110 -3.018 1.00 0.46 H new ATOM 0 HB3 ALA A 40 -8.636 2.016 -2.526 1.00 0.46 H new ATOM 622 N VAL A 41 -9.906 -1.114 -1.950 1.00 0.34 N ATOM 623 CA VAL A 41 -9.476 -2.505 -2.021 1.00 0.33 C ATOM 624 C VAL A 41 -10.493 -3.332 -2.799 1.00 0.42 C ATOM 625 O VAL A 41 -11.703 -3.179 -2.615 1.00 0.46 O ATOM 626 CB VAL A 41 -9.278 -3.104 -0.601 1.00 0.28 C ATOM 627 CG1 VAL A 41 -9.395 -4.628 -0.596 1.00 0.32 C ATOM 628 CG2 VAL A 41 -7.923 -2.684 -0.055 1.00 0.30 C ATOM 0 H VAL A 41 -10.144 -0.800 -1.009 1.00 0.34 H new ATOM 0 HA VAL A 41 -8.518 -2.535 -2.540 1.00 0.33 H new ATOM 0 HB VAL A 41 -10.073 -2.716 0.036 1.00 0.28 H new ATOM 0 HG11 VAL A 41 -9.249 -5.001 0.418 1.00 0.32 H new ATOM 0 HG12 VAL A 41 -10.384 -4.918 -0.951 1.00 0.32 H new ATOM 0 HG13 VAL A 41 -8.635 -5.053 -1.252 1.00 0.32 H new ATOM 0 HG21 VAL A 41 -7.786 -3.105 0.941 1.00 0.30 H new ATOM 0 HG22 VAL A 41 -7.136 -3.049 -0.715 1.00 0.30 H new ATOM 0 HG23 VAL A 41 -7.874 -1.597 0.001 1.00 0.30 H new ATOM 638 N GLN A 42 -9.998 -4.188 -3.686 1.00 0.55 N ATOM 639 CA GLN A 42 -10.861 -5.092 -4.428 1.00 0.69 C ATOM 640 C GLN A 42 -11.387 -6.179 -3.497 1.00 0.60 C ATOM 641 O GLN A 42 -10.886 -7.306 -3.471 1.00 0.70 O ATOM 642 CB GLN A 42 -10.100 -5.703 -5.606 1.00 0.93 C ATOM 643 CG GLN A 42 -9.563 -4.663 -6.577 1.00 1.49 C ATOM 644 CD GLN A 42 -10.664 -3.854 -7.243 1.00 1.84 C ATOM 645 OE1 GLN A 42 -11.767 -4.352 -7.471 1.00 2.44 O ATOM 646 NE2 GLN A 42 -10.378 -2.599 -7.547 1.00 2.35 N ATOM 0 H GLN A 42 -9.006 -4.273 -3.907 1.00 0.55 H new ATOM 0 HA GLN A 42 -11.709 -4.535 -4.827 1.00 0.69 H new ATOM 0 HB2 GLN A 42 -9.270 -6.297 -5.225 1.00 0.93 H new ATOM 0 HB3 GLN A 42 -10.760 -6.385 -6.142 1.00 0.93 H new ATOM 0 HG2 GLN A 42 -8.893 -3.987 -6.045 1.00 1.49 H new ATOM 0 HG3 GLN A 42 -8.970 -5.161 -7.344 1.00 1.49 H new ATOM 0 HE21 GLN A 42 -9.452 -2.223 -7.342 1.00 2.35 H new ATOM 0 HE22 GLN A 42 -11.083 -2.007 -7.986 1.00 2.35 H new ATOM 655 N LYS A 43 -12.393 -5.811 -2.724 1.00 0.50 N ATOM 656 CA LYS A 43 -12.990 -6.687 -1.735 1.00 0.48 C ATOM 657 C LYS A 43 -14.437 -6.958 -2.136 1.00 0.59 C ATOM 658 O LYS A 43 -15.309 -6.113 -1.944 1.00 0.69 O ATOM 659 CB LYS A 43 -12.936 -6.002 -0.367 1.00 0.43 C ATOM 660 CG LYS A 43 -12.830 -6.932 0.827 1.00 0.57 C ATOM 661 CD LYS A 43 -13.655 -8.192 0.715 1.00 0.55 C ATOM 662 CE LYS A 43 -13.144 -9.200 1.719 1.00 0.52 C ATOM 663 NZ LYS A 43 -13.912 -10.473 1.706 1.00 0.97 N ATOM 0 H LYS A 43 -12.822 -4.886 -2.766 1.00 0.50 H new ATOM 0 HA LYS A 43 -12.448 -7.631 -1.680 1.00 0.48 H new ATOM 0 HB2 LYS A 43 -12.083 -5.324 -0.354 1.00 0.43 H new ATOM 0 HB3 LYS A 43 -13.831 -5.391 -0.251 1.00 0.43 H new ATOM 0 HG2 LYS A 43 -11.785 -7.208 0.964 1.00 0.57 H new ATOM 0 HG3 LYS A 43 -13.137 -6.390 1.722 1.00 0.57 H new ATOM 0 HD2 LYS A 43 -14.706 -7.973 0.902 1.00 0.55 H new ATOM 0 HD3 LYS A 43 -13.589 -8.598 -0.294 1.00 0.55 H new ATOM 0 HE2 LYS A 43 -12.095 -9.413 1.511 1.00 0.52 H new ATOM 0 HE3 LYS A 43 -13.189 -8.765 2.717 1.00 0.52 H new ATOM 0 HZ1 LYS A 43 -13.986 -10.844 2.675 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -14.865 -10.300 1.328 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -13.423 -11.167 1.106 1.00 0.97 H new ATOM 677 N GLU A 44 -14.683 -8.116 -2.719 1.00 0.68 N ATOM 678 CA GLU A 44 -16.018 -8.455 -3.195 1.00 0.80 C ATOM 679 C GLU A 44 -16.790 -9.260 -2.155 1.00 0.76 C ATOM 680 O GLU A 44 -17.892 -8.887 -1.752 1.00 0.88 O ATOM 681 CB GLU A 44 -15.954 -9.205 -4.543 1.00 0.94 C ATOM 682 CG GLU A 44 -14.634 -9.921 -4.833 1.00 0.95 C ATOM 683 CD GLU A 44 -14.297 -10.986 -3.828 1.00 1.59 C ATOM 684 OE1 GLU A 44 -13.670 -10.676 -2.802 1.00 2.22 O ATOM 685 OE2 GLU A 44 -14.651 -12.153 -4.076 1.00 2.00 O ATOM 0 H GLU A 44 -13.980 -8.839 -2.876 1.00 0.68 H new ATOM 0 HA GLU A 44 -16.557 -7.522 -3.357 1.00 0.80 H new ATOM 0 HB2 GLU A 44 -16.759 -9.939 -4.570 1.00 0.94 H new ATOM 0 HB3 GLU A 44 -16.145 -8.492 -5.345 1.00 0.94 H new ATOM 0 HG2 GLU A 44 -14.684 -10.371 -5.825 1.00 0.95 H new ATOM 0 HG3 GLU A 44 -13.829 -9.187 -4.856 1.00 0.95 H new ATOM 692 N ARG A 45 -16.196 -10.354 -1.723 1.00 0.70 N ATOM 693 CA ARG A 45 -16.801 -11.251 -0.759 1.00 0.79 C ATOM 694 C ARG A 45 -15.757 -12.233 -0.278 1.00 0.79 C ATOM 695 O ARG A 45 -15.667 -12.551 0.906 1.00 0.90 O ATOM 696 CB ARG A 45 -17.972 -12.015 -1.381 1.00 0.94 C ATOM 697 CG ARG A 45 -17.788 -12.352 -2.856 1.00 1.54 C ATOM 698 CD ARG A 45 -19.016 -13.031 -3.434 1.00 1.86 C ATOM 699 NE ARG A 45 -19.185 -14.394 -2.937 1.00 2.25 N ATOM 700 CZ ARG A 45 -20.263 -14.825 -2.285 1.00 2.90 C ATOM 701 NH1 ARG A 45 -21.226 -13.976 -1.945 1.00 3.09 N ATOM 702 NH2 ARG A 45 -20.365 -16.106 -1.964 1.00 3.78 N ATOM 0 H ARG A 45 -15.270 -10.648 -2.034 1.00 0.70 H new ATOM 0 HA ARG A 45 -17.181 -10.663 0.077 1.00 0.79 H new ATOM 0 HB2 ARG A 45 -18.123 -12.940 -0.825 1.00 0.94 H new ATOM 0 HB3 ARG A 45 -18.879 -11.422 -1.266 1.00 0.94 H new ATOM 0 HG2 ARG A 45 -17.580 -11.439 -3.415 1.00 1.54 H new ATOM 0 HG3 ARG A 45 -16.922 -13.003 -2.975 1.00 1.54 H new ATOM 0 HD2 ARG A 45 -19.901 -12.445 -3.188 1.00 1.86 H new ATOM 0 HD3 ARG A 45 -18.939 -13.051 -4.521 1.00 1.86 H new ATOM 0 HE ARG A 45 -18.428 -15.058 -3.100 1.00 2.25 H new ATOM 0 HH11 ARG A 45 -21.142 -12.988 -2.183 1.00 3.09 H new ATOM 0 HH12 ARG A 45 -22.049 -14.312 -1.446 1.00 3.09 H new ATOM 0 HH21 ARG A 45 -19.620 -16.756 -2.216 1.00 3.78 H new ATOM 0 HH22 ARG A 45 -21.188 -16.443 -1.465 1.00 3.78 H new ATOM 716 N GLN A 46 -14.958 -12.687 -1.218 1.00 0.80 N ATOM 717 CA GLN A 46 -13.914 -13.655 -0.938 1.00 0.94 C ATOM 718 C GLN A 46 -12.570 -12.959 -0.780 1.00 0.86 C ATOM 719 O GLN A 46 -12.085 -12.770 0.337 1.00 0.94 O ATOM 720 CB GLN A 46 -13.828 -14.687 -2.064 1.00 1.13 C ATOM 721 CG GLN A 46 -15.182 -15.175 -2.540 1.00 1.36 C ATOM 722 CD GLN A 46 -15.952 -15.898 -1.454 1.00 1.85 C ATOM 723 OE1 GLN A 46 -16.731 -15.291 -0.719 1.00 2.42 O ATOM 724 NE2 GLN A 46 -15.741 -17.197 -1.347 1.00 2.45 N ATOM 0 H GLN A 46 -15.011 -12.399 -2.195 1.00 0.80 H new ATOM 0 HA GLN A 46 -14.162 -14.163 -0.006 1.00 0.94 H new ATOM 0 HB2 GLN A 46 -13.291 -14.251 -2.906 1.00 1.13 H new ATOM 0 HB3 GLN A 46 -13.243 -15.540 -1.721 1.00 1.13 H new ATOM 0 HG2 GLN A 46 -15.768 -14.326 -2.892 1.00 1.36 H new ATOM 0 HG3 GLN A 46 -15.046 -15.843 -3.391 1.00 1.36 H new ATOM 0 HE21 GLN A 46 -15.087 -17.661 -1.977 1.00 2.45 H new ATOM 0 HE22 GLN A 46 -16.232 -17.737 -0.634 1.00 2.45 H new ATOM 733 N SER A 47 -12.022 -12.505 -1.904 1.00 0.79 N ATOM 734 CA SER A 47 -10.661 -11.988 -1.962 1.00 0.80 C ATOM 735 C SER A 47 -10.264 -11.746 -3.416 1.00 0.82 C ATOM 736 O SER A 47 -9.503 -12.517 -3.999 1.00 0.93 O ATOM 737 CB SER A 47 -9.678 -12.970 -1.303 1.00 0.93 C ATOM 738 OG SER A 47 -9.816 -14.276 -1.845 1.00 1.58 O ATOM 0 H SER A 47 -12.510 -12.486 -2.799 1.00 0.79 H new ATOM 0 HA SER A 47 -10.622 -11.046 -1.416 1.00 0.80 H new ATOM 0 HB2 SER A 47 -8.656 -12.619 -1.449 1.00 0.93 H new ATOM 0 HB3 SER A 47 -9.855 -12.999 -0.228 1.00 0.93 H new ATOM 0 HG SER A 47 -9.705 -14.240 -2.818 1.00 1.58 H new ATOM 744 N ARG A 48 -10.809 -10.690 -4.010 1.00 0.81 N ATOM 745 CA ARG A 48 -10.512 -10.362 -5.403 1.00 0.90 C ATOM 746 C ARG A 48 -9.066 -9.899 -5.551 1.00 0.92 C ATOM 747 O ARG A 48 -8.436 -10.101 -6.596 1.00 1.64 O ATOM 748 CB ARG A 48 -11.464 -9.276 -5.911 1.00 0.95 C ATOM 749 CG ARG A 48 -11.323 -8.988 -7.397 1.00 1.22 C ATOM 750 CD ARG A 48 -11.623 -10.226 -8.221 1.00 1.72 C ATOM 751 NE ARG A 48 -11.444 -10.000 -9.653 1.00 2.25 N ATOM 752 CZ ARG A 48 -11.604 -10.946 -10.578 1.00 2.93 C ATOM 753 NH1 ARG A 48 -11.929 -12.182 -10.217 1.00 3.36 N ATOM 754 NH2 ARG A 48 -11.433 -10.661 -11.862 1.00 3.61 N ATOM 0 H ARG A 48 -11.456 -10.048 -3.553 1.00 0.81 H new ATOM 0 HA ARG A 48 -10.652 -11.262 -6.001 1.00 0.90 H new ATOM 0 HB2 ARG A 48 -12.490 -9.579 -5.704 1.00 0.95 H new ATOM 0 HB3 ARG A 48 -11.284 -8.357 -5.353 1.00 0.95 H new ATOM 0 HG2 ARG A 48 -12.002 -8.184 -7.681 1.00 1.22 H new ATOM 0 HG3 ARG A 48 -10.312 -8.641 -7.610 1.00 1.22 H new ATOM 0 HD2 ARG A 48 -10.972 -11.039 -7.900 1.00 1.72 H new ATOM 0 HD3 ARG A 48 -12.648 -10.545 -8.032 1.00 1.72 H new ATOM 0 HE ARG A 48 -11.181 -9.064 -9.963 1.00 2.25 H new ATOM 0 HH11 ARG A 48 -12.057 -12.408 -9.231 1.00 3.36 H new ATOM 0 HH12 ARG A 48 -12.051 -12.905 -10.926 1.00 3.36 H new ATOM 0 HH21 ARG A 48 -11.178 -9.715 -12.145 1.00 3.61 H new ATOM 0 HH22 ARG A 48 -11.556 -11.388 -12.567 1.00 3.61 H new ATOM 768 N PHE A 49 -8.549 -9.270 -4.504 1.00 0.49 N ATOM 769 CA PHE A 49 -7.173 -8.804 -4.498 1.00 0.42 C ATOM 770 C PHE A 49 -6.211 -9.977 -4.370 1.00 0.59 C ATOM 771 O PHE A 49 -6.536 -11.021 -3.810 1.00 1.46 O ATOM 772 CB PHE A 49 -6.942 -7.805 -3.360 1.00 0.35 C ATOM 773 CG PHE A 49 -5.550 -7.241 -3.293 1.00 0.32 C ATOM 774 CD1 PHE A 49 -5.042 -6.463 -4.321 1.00 0.40 C ATOM 775 CD2 PHE A 49 -4.747 -7.506 -2.195 1.00 0.27 C ATOM 776 CE1 PHE A 49 -3.757 -5.959 -4.253 1.00 0.42 C ATOM 777 CE2 PHE A 49 -3.461 -7.005 -2.122 1.00 0.30 C ATOM 778 CZ PHE A 49 -2.966 -6.230 -3.152 1.00 0.37 C ATOM 0 H PHE A 49 -9.065 -9.071 -3.647 1.00 0.49 H new ATOM 0 HA PHE A 49 -6.984 -8.299 -5.445 1.00 0.42 H new ATOM 0 HB2 PHE A 49 -7.648 -6.982 -3.468 1.00 0.35 H new ATOM 0 HB3 PHE A 49 -7.167 -8.295 -2.413 1.00 0.35 H new ATOM 0 HD1 PHE A 49 -5.656 -6.249 -5.183 1.00 0.40 H new ATOM 0 HD2 PHE A 49 -5.131 -8.111 -1.387 1.00 0.27 H new ATOM 0 HE1 PHE A 49 -3.371 -5.354 -5.060 1.00 0.42 H new ATOM 0 HE2 PHE A 49 -2.845 -7.219 -1.261 1.00 0.30 H new ATOM 0 HZ PHE A 49 -1.962 -5.836 -3.098 1.00 0.37 H new ATOM 788 N THR A 50 -5.021 -9.756 -4.865 1.00 0.46 N ATOM 789 CA THR A 50 -3.974 -10.759 -4.907 1.00 0.42 C ATOM 790 C THR A 50 -2.652 -10.083 -4.599 1.00 0.47 C ATOM 791 O THR A 50 -2.453 -8.925 -4.965 1.00 0.84 O ATOM 792 CB THR A 50 -3.881 -11.440 -6.293 1.00 0.42 C ATOM 793 OG1 THR A 50 -3.909 -10.449 -7.327 1.00 0.89 O ATOM 794 CG2 THR A 50 -5.009 -12.445 -6.506 1.00 0.82 C ATOM 0 H THR A 50 -4.741 -8.858 -5.259 1.00 0.46 H new ATOM 0 HA THR A 50 -4.206 -11.530 -4.173 1.00 0.42 H new ATOM 0 HB THR A 50 -2.938 -11.985 -6.333 1.00 0.42 H new ATOM 0 HG1 THR A 50 -3.848 -10.887 -8.202 1.00 0.89 H new ATOM 0 HG21 THR A 50 -4.908 -12.902 -7.491 1.00 0.82 H new ATOM 0 HG22 THR A 50 -4.956 -13.219 -5.740 1.00 0.82 H new ATOM 0 HG23 THR A 50 -5.969 -11.934 -6.440 1.00 0.82 H new ATOM 802 N MET A 51 -1.764 -10.789 -3.920 1.00 0.25 N ATOM 803 CA MET A 51 -0.484 -10.209 -3.545 1.00 0.24 C ATOM 804 C MET A 51 0.357 -9.891 -4.763 1.00 0.26 C ATOM 805 O MET A 51 0.375 -10.635 -5.744 1.00 0.29 O ATOM 806 CB MET A 51 0.326 -11.129 -2.630 1.00 0.25 C ATOM 807 CG MET A 51 0.748 -12.436 -3.277 1.00 0.31 C ATOM 808 SD MET A 51 1.692 -13.490 -2.157 1.00 0.50 S ATOM 809 CE MET A 51 0.605 -13.553 -0.733 1.00 1.00 C ATOM 0 H MET A 51 -1.902 -11.754 -3.619 1.00 0.25 H new ATOM 0 HA MET A 51 -0.722 -9.292 -3.006 1.00 0.24 H new ATOM 0 HB2 MET A 51 1.217 -10.598 -2.296 1.00 0.25 H new ATOM 0 HB3 MET A 51 -0.265 -11.351 -1.741 1.00 0.25 H new ATOM 0 HG2 MET A 51 -0.138 -12.973 -3.615 1.00 0.31 H new ATOM 0 HG3 MET A 51 1.348 -12.222 -4.162 1.00 0.31 H new ATOM 0 HE1 MET A 51 0.723 -14.512 -0.228 1.00 1.00 H new ATOM 0 HE2 MET A 51 0.859 -12.747 -0.045 1.00 1.00 H new ATOM 0 HE3 MET A 51 -0.429 -13.439 -1.059 1.00 1.00 H new ATOM 819 N TYR A 52 1.040 -8.777 -4.675 1.00 0.28 N ATOM 820 CA TYR A 52 2.068 -8.417 -5.621 1.00 0.32 C ATOM 821 C TYR A 52 3.296 -7.983 -4.841 1.00 0.30 C ATOM 822 O TYR A 52 3.246 -7.884 -3.614 1.00 0.30 O ATOM 823 CB TYR A 52 1.596 -7.318 -6.593 1.00 0.42 C ATOM 824 CG TYR A 52 0.812 -6.162 -5.987 1.00 0.48 C ATOM 825 CD1 TYR A 52 1.190 -5.558 -4.795 1.00 0.49 C ATOM 826 CD2 TYR A 52 -0.304 -5.658 -6.645 1.00 0.61 C ATOM 827 CE1 TYR A 52 0.475 -4.490 -4.274 1.00 0.61 C ATOM 828 CE2 TYR A 52 -1.024 -4.595 -6.131 1.00 0.72 C ATOM 829 CZ TYR A 52 -0.631 -4.015 -4.946 1.00 0.71 C ATOM 830 OH TYR A 52 -1.350 -2.954 -4.434 1.00 0.85 O ATOM 0 H TYR A 52 0.897 -8.087 -3.937 1.00 0.28 H new ATOM 0 HA TYR A 52 2.310 -9.280 -6.241 1.00 0.32 H new ATOM 0 HB2 TYR A 52 2.472 -6.909 -7.096 1.00 0.42 H new ATOM 0 HB3 TYR A 52 0.977 -7.784 -7.360 1.00 0.42 H new ATOM 0 HD1 TYR A 52 2.056 -5.926 -4.265 1.00 0.49 H new ATOM 0 HD2 TYR A 52 -0.615 -6.106 -7.577 1.00 0.61 H new ATOM 0 HE1 TYR A 52 0.783 -4.032 -3.346 1.00 0.61 H new ATOM 0 HE2 TYR A 52 -1.890 -4.222 -6.657 1.00 0.72 H new ATOM 0 HH TYR A 52 -2.097 -2.746 -5.033 1.00 0.85 H new ATOM 840 N SER A 53 4.394 -7.757 -5.521 1.00 0.33 N ATOM 841 CA SER A 53 5.596 -7.330 -4.842 1.00 0.33 C ATOM 842 C SER A 53 5.835 -5.860 -5.099 1.00 0.37 C ATOM 843 O SER A 53 5.920 -5.436 -6.246 1.00 0.52 O ATOM 844 CB SER A 53 6.813 -8.143 -5.291 1.00 0.40 C ATOM 845 OG SER A 53 6.589 -9.529 -5.135 1.00 0.93 O ATOM 0 H SER A 53 4.482 -7.860 -6.532 1.00 0.33 H new ATOM 0 HA SER A 53 5.457 -7.497 -3.774 1.00 0.33 H new ATOM 0 HB2 SER A 53 7.035 -7.923 -6.335 1.00 0.40 H new ATOM 0 HB3 SER A 53 7.686 -7.846 -4.710 1.00 0.40 H new ATOM 0 HG SER A 53 7.079 -10.020 -5.827 1.00 0.93 H new ATOM 851 N THR A 54 5.890 -5.083 -4.036 1.00 0.31 N ATOM 852 CA THR A 54 6.293 -3.696 -4.137 1.00 0.33 C ATOM 853 C THR A 54 7.751 -3.611 -3.715 1.00 0.29 C ATOM 854 O THR A 54 8.071 -3.657 -2.528 1.00 0.27 O ATOM 855 CB THR A 54 5.414 -2.815 -3.226 1.00 0.37 C ATOM 856 OG1 THR A 54 4.118 -3.416 -3.093 1.00 0.43 O ATOM 857 CG2 THR A 54 5.253 -1.413 -3.804 1.00 0.43 C ATOM 0 H THR A 54 5.660 -5.390 -3.091 1.00 0.31 H new ATOM 0 HA THR A 54 6.172 -3.336 -5.159 1.00 0.33 H new ATOM 0 HB THR A 54 5.901 -2.737 -2.254 1.00 0.37 H new ATOM 0 HG1 THR A 54 3.879 -3.472 -2.144 1.00 0.43 H new ATOM 0 HG21 THR A 54 4.629 -0.815 -3.140 1.00 0.43 H new ATOM 0 HG22 THR A 54 6.232 -0.945 -3.900 1.00 0.43 H new ATOM 0 HG23 THR A 54 4.783 -1.476 -4.785 1.00 0.43 H new ATOM 865 N ILE A 55 8.637 -3.514 -4.694 1.00 0.30 N ATOM 866 CA ILE A 55 10.061 -3.507 -4.409 1.00 0.28 C ATOM 867 C ILE A 55 10.567 -2.082 -4.377 1.00 0.24 C ATOM 868 O ILE A 55 10.858 -1.506 -5.418 1.00 0.26 O ATOM 869 CB ILE A 55 10.885 -4.287 -5.459 1.00 0.34 C ATOM 870 CG1 ILE A 55 10.128 -5.516 -5.991 1.00 0.50 C ATOM 871 CG2 ILE A 55 12.223 -4.699 -4.855 1.00 0.32 C ATOM 872 CD1 ILE A 55 9.726 -6.519 -4.935 1.00 0.72 C ATOM 0 H ILE A 55 8.398 -3.440 -5.683 1.00 0.30 H new ATOM 0 HA ILE A 55 10.189 -3.996 -3.443 1.00 0.28 H new ATOM 0 HB ILE A 55 11.057 -3.628 -6.310 1.00 0.34 H new ATOM 0 HG12 ILE A 55 9.231 -5.176 -6.509 1.00 0.50 H new ATOM 0 HG13 ILE A 55 10.753 -6.018 -6.730 1.00 0.50 H new ATOM 0 HG21 ILE A 55 12.803 -5.249 -5.596 1.00 0.32 H new ATOM 0 HG22 ILE A 55 12.774 -3.809 -4.550 1.00 0.32 H new ATOM 0 HG23 ILE A 55 12.050 -5.334 -3.986 1.00 0.32 H new ATOM 0 HD11 ILE A 55 9.199 -7.350 -5.404 1.00 0.72 H new ATOM 0 HD12 ILE A 55 10.617 -6.893 -4.431 1.00 0.72 H new ATOM 0 HD13 ILE A 55 9.072 -6.039 -4.207 1.00 0.72 H new ATOM 884 N TYR A 56 10.660 -1.510 -3.193 1.00 0.25 N ATOM 885 CA TYR A 56 11.108 -0.133 -3.071 1.00 0.27 C ATOM 886 C TYR A 56 12.627 -0.101 -3.165 1.00 0.30 C ATOM 887 O TYR A 56 13.316 -0.539 -2.248 1.00 0.36 O ATOM 888 CB TYR A 56 10.668 0.498 -1.747 1.00 0.32 C ATOM 889 CG TYR A 56 9.334 0.018 -1.192 1.00 0.39 C ATOM 890 CD1 TYR A 56 8.153 0.053 -1.933 1.00 0.32 C ATOM 891 CD2 TYR A 56 9.258 -0.440 0.115 1.00 0.79 C ATOM 892 CE1 TYR A 56 6.958 -0.358 -1.382 1.00 0.43 C ATOM 893 CE2 TYR A 56 8.063 -0.858 0.664 1.00 1.01 C ATOM 894 CZ TYR A 56 6.918 -0.813 -0.088 1.00 0.79 C ATOM 895 OH TYR A 56 5.726 -1.225 0.454 1.00 1.02 O ATOM 0 H TYR A 56 10.435 -1.969 -2.310 1.00 0.25 H new ATOM 0 HA TYR A 56 10.657 0.444 -3.878 1.00 0.27 H new ATOM 0 HB2 TYR A 56 11.440 0.306 -1.001 1.00 0.32 H new ATOM 0 HB3 TYR A 56 10.616 1.578 -1.881 1.00 0.32 H new ATOM 0 HD1 TYR A 56 8.175 0.407 -2.953 1.00 0.32 H new ATOM 0 HD2 TYR A 56 10.154 -0.470 0.717 1.00 0.79 H new ATOM 0 HE1 TYR A 56 6.052 -0.322 -1.969 1.00 0.43 H new ATOM 0 HE2 TYR A 56 8.030 -1.219 1.681 1.00 1.01 H new ATOM 0 HH TYR A 56 5.871 -1.518 1.378 1.00 1.02 H new ATOM 905 N GLU A 57 13.149 0.385 -4.275 1.00 0.33 N ATOM 906 CA GLU A 57 14.587 0.373 -4.493 1.00 0.41 C ATOM 907 C GLU A 57 15.124 1.798 -4.595 1.00 0.36 C ATOM 908 O GLU A 57 14.558 2.636 -5.292 1.00 0.42 O ATOM 909 CB GLU A 57 14.908 -0.433 -5.755 1.00 0.52 C ATOM 910 CG GLU A 57 16.357 -0.879 -5.852 1.00 1.13 C ATOM 911 CD GLU A 57 16.571 -1.921 -6.932 1.00 1.56 C ATOM 912 OE1 GLU A 57 16.111 -3.065 -6.761 1.00 1.84 O ATOM 913 OE2 GLU A 57 17.183 -1.587 -7.973 1.00 2.33 O ATOM 0 H GLU A 57 12.605 0.791 -5.036 1.00 0.33 H new ATOM 0 HA GLU A 57 15.077 -0.103 -3.644 1.00 0.41 H new ATOM 0 HB2 GLU A 57 14.265 -1.313 -5.785 1.00 0.52 H new ATOM 0 HB3 GLU A 57 14.665 0.170 -6.630 1.00 0.52 H new ATOM 0 HG2 GLU A 57 16.988 -0.014 -6.056 1.00 1.13 H new ATOM 0 HG3 GLU A 57 16.674 -1.285 -4.891 1.00 1.13 H new ATOM 920 N LEU A 58 16.213 2.065 -3.882 1.00 0.41 N ATOM 921 CA LEU A 58 16.783 3.409 -3.809 1.00 0.42 C ATOM 922 C LEU A 58 17.411 3.843 -5.126 1.00 0.43 C ATOM 923 O LEU A 58 18.027 3.043 -5.833 1.00 0.60 O ATOM 924 CB LEU A 58 17.847 3.482 -2.709 1.00 0.62 C ATOM 925 CG LEU A 58 17.423 4.203 -1.429 1.00 0.58 C ATOM 926 CD1 LEU A 58 16.937 5.614 -1.757 1.00 1.24 C ATOM 927 CD2 LEU A 58 16.354 3.404 -0.700 1.00 1.24 C ATOM 0 H LEU A 58 16.722 1.365 -3.343 1.00 0.41 H new ATOM 0 HA LEU A 58 15.958 4.084 -3.582 1.00 0.42 H new ATOM 0 HB2 LEU A 58 18.148 2.467 -2.451 1.00 0.62 H new ATOM 0 HB3 LEU A 58 18.728 3.982 -3.112 1.00 0.62 H new ATOM 0 HG LEU A 58 18.284 4.288 -0.766 1.00 0.58 H new ATOM 0 HD11 LEU A 58 16.638 6.118 -0.838 1.00 1.24 H new ATOM 0 HD12 LEU A 58 17.742 6.174 -2.233 1.00 1.24 H new ATOM 0 HD13 LEU A 58 16.085 5.557 -2.434 1.00 1.24 H new ATOM 0 HD21 LEU A 58 16.063 3.930 0.209 1.00 1.24 H new ATOM 0 HD22 LEU A 58 15.484 3.286 -1.346 1.00 1.24 H new ATOM 0 HD23 LEU A 58 16.748 2.422 -0.440 1.00 1.24 H new ATOM 939 N GLN A 59 17.235 5.118 -5.445 1.00 0.37 N ATOM 940 CA GLN A 59 17.964 5.748 -6.526 1.00 0.48 C ATOM 941 C GLN A 59 18.932 6.755 -5.928 1.00 0.57 C ATOM 942 O GLN A 59 19.025 6.866 -4.704 1.00 0.58 O ATOM 943 CB GLN A 59 17.019 6.441 -7.513 1.00 0.53 C ATOM 944 CG GLN A 59 16.018 5.502 -8.161 1.00 1.13 C ATOM 945 CD GLN A 59 15.158 6.187 -9.203 1.00 1.75 C ATOM 946 OE1 GLN A 59 14.107 6.748 -8.891 1.00 2.50 O ATOM 947 NE2 GLN A 59 15.592 6.141 -10.449 1.00 2.33 N ATOM 0 H GLN A 59 16.585 5.738 -4.962 1.00 0.37 H new ATOM 0 HA GLN A 59 18.507 4.984 -7.083 1.00 0.48 H new ATOM 0 HB2 GLN A 59 16.478 7.230 -6.991 1.00 0.53 H new ATOM 0 HB3 GLN A 59 17.611 6.921 -8.292 1.00 0.53 H new ATOM 0 HG2 GLN A 59 16.552 4.673 -8.626 1.00 1.13 H new ATOM 0 HG3 GLN A 59 15.376 5.075 -7.390 1.00 1.13 H new ATOM 0 HE21 GLN A 59 16.468 5.666 -10.667 1.00 2.33 H new ATOM 0 HE22 GLN A 59 15.051 6.580 -11.194 1.00 2.33 H new ATOM 956 N GLU A 60 19.628 7.497 -6.766 1.00 0.69 N ATOM 957 CA GLU A 60 20.628 8.444 -6.290 1.00 0.82 C ATOM 958 C GLU A 60 20.023 9.522 -5.387 1.00 0.75 C ATOM 959 O GLU A 60 20.687 10.021 -4.478 1.00 0.89 O ATOM 960 CB GLU A 60 21.334 9.100 -7.477 1.00 1.05 C ATOM 961 CG GLU A 60 20.394 9.878 -8.382 1.00 1.11 C ATOM 962 CD GLU A 60 21.106 10.526 -9.545 1.00 1.47 C ATOM 963 OE1 GLU A 60 21.676 11.622 -9.360 1.00 1.79 O ATOM 964 OE2 GLU A 60 21.105 9.944 -10.648 1.00 1.73 O ATOM 0 H GLU A 60 19.523 7.466 -7.780 1.00 0.69 H new ATOM 0 HA GLU A 60 21.348 7.883 -5.694 1.00 0.82 H new ATOM 0 HB2 GLU A 60 22.107 9.772 -7.104 1.00 1.05 H new ATOM 0 HB3 GLU A 60 21.836 8.330 -8.063 1.00 1.05 H new ATOM 0 HG2 GLU A 60 19.624 9.207 -8.762 1.00 1.11 H new ATOM 0 HG3 GLU A 60 19.888 10.646 -7.798 1.00 1.11 H new ATOM 971 N ASP A 61 18.755 9.849 -5.603 1.00 0.64 N ATOM 972 CA ASP A 61 18.153 10.994 -4.933 1.00 0.70 C ATOM 973 C ASP A 61 16.940 10.574 -4.114 1.00 0.54 C ATOM 974 O ASP A 61 15.899 11.227 -4.149 1.00 0.50 O ATOM 975 CB ASP A 61 17.764 12.061 -5.963 1.00 0.92 C ATOM 976 CG ASP A 61 17.468 13.404 -5.327 1.00 1.18 C ATOM 977 OD1 ASP A 61 18.404 14.048 -4.805 1.00 1.41 O ATOM 978 OD2 ASP A 61 16.289 13.817 -5.334 1.00 1.26 O ATOM 0 H ASP A 61 18.129 9.343 -6.230 1.00 0.64 H new ATOM 0 HA ASP A 61 18.888 11.416 -4.248 1.00 0.70 H new ATOM 0 HB2 ASP A 61 18.572 12.175 -6.685 1.00 0.92 H new ATOM 0 HB3 ASP A 61 16.887 11.724 -6.516 1.00 0.92 H new ATOM 983 N ASN A 62 17.089 9.458 -3.391 1.00 0.52 N ATOM 984 CA ASN A 62 16.042 8.902 -2.500 1.00 0.46 C ATOM 985 C ASN A 62 14.660 8.801 -3.154 1.00 0.36 C ATOM 986 O ASN A 62 13.658 8.619 -2.463 1.00 0.41 O ATOM 987 CB ASN A 62 15.932 9.651 -1.152 1.00 0.57 C ATOM 988 CG ASN A 62 15.901 11.167 -1.267 1.00 0.70 C ATOM 989 OD1 ASN A 62 16.937 11.831 -1.203 1.00 1.36 O ATOM 990 ND2 ASN A 62 14.712 11.725 -1.438 1.00 1.35 N ATOM 0 H ASN A 62 17.945 8.904 -3.402 1.00 0.52 H new ATOM 0 HA ASN A 62 16.384 7.886 -2.301 1.00 0.46 H new ATOM 0 HB2 ASN A 62 15.028 9.321 -0.641 1.00 0.57 H new ATOM 0 HB3 ASN A 62 16.775 9.365 -0.523 1.00 0.57 H new ATOM 0 HD21 ASN A 62 14.631 12.738 -1.522 1.00 1.35 H new ATOM 0 HD22 ASN A 62 13.877 11.141 -1.486 1.00 1.35 H new ATOM 997 N SER A 63 14.597 8.932 -4.466 1.00 0.34 N ATOM 998 CA SER A 63 13.417 8.542 -5.198 1.00 0.30 C ATOM 999 C SER A 63 13.469 7.034 -5.326 1.00 0.29 C ATOM 1000 O SER A 63 14.493 6.485 -5.727 1.00 0.31 O ATOM 1001 CB SER A 63 13.392 9.216 -6.575 1.00 0.35 C ATOM 1002 OG SER A 63 14.591 8.964 -7.291 1.00 0.96 O ATOM 0 H SER A 63 15.351 9.306 -5.042 1.00 0.34 H new ATOM 0 HA SER A 63 12.509 8.853 -4.682 1.00 0.30 H new ATOM 0 HB2 SER A 63 12.540 8.849 -7.147 1.00 0.35 H new ATOM 0 HB3 SER A 63 13.256 10.291 -6.454 1.00 0.35 H new ATOM 0 HG SER A 63 14.444 8.235 -7.929 1.00 0.96 H new ATOM 1008 N TYR A 64 12.422 6.350 -4.936 1.00 0.28 N ATOM 1009 CA TYR A 64 12.449 4.909 -4.992 1.00 0.28 C ATOM 1010 C TYR A 64 11.922 4.459 -6.331 1.00 0.29 C ATOM 1011 O TYR A 64 10.871 4.918 -6.776 1.00 0.30 O ATOM 1012 CB TYR A 64 11.589 4.290 -3.877 1.00 0.28 C ATOM 1013 CG TYR A 64 11.939 4.761 -2.477 1.00 0.31 C ATOM 1014 CD1 TYR A 64 13.222 5.189 -2.157 1.00 0.31 C ATOM 1015 CD2 TYR A 64 10.979 4.775 -1.475 1.00 0.39 C ATOM 1016 CE1 TYR A 64 13.537 5.621 -0.879 1.00 0.36 C ATOM 1017 CE2 TYR A 64 11.285 5.204 -0.197 1.00 0.45 C ATOM 1018 CZ TYR A 64 12.565 5.626 0.095 1.00 0.42 C ATOM 1019 OH TYR A 64 12.873 6.054 1.367 1.00 0.49 O ATOM 0 H TYR A 64 11.556 6.757 -4.583 1.00 0.28 H new ATOM 0 HA TYR A 64 13.478 4.578 -4.854 1.00 0.28 H new ATOM 0 HB2 TYR A 64 10.542 4.520 -4.073 1.00 0.28 H new ATOM 0 HB3 TYR A 64 11.690 3.205 -3.918 1.00 0.28 H new ATOM 0 HD1 TYR A 64 13.988 5.185 -2.919 1.00 0.31 H new ATOM 0 HD2 TYR A 64 9.975 4.445 -1.698 1.00 0.39 H new ATOM 0 HE1 TYR A 64 14.539 5.952 -0.649 1.00 0.36 H new ATOM 0 HE2 TYR A 64 10.525 5.209 0.570 1.00 0.45 H new ATOM 0 HH TYR A 64 12.076 5.996 1.934 1.00 0.49 H new ATOM 1029 N ASN A 65 12.642 3.564 -6.967 1.00 0.32 N ATOM 1030 CA ASN A 65 12.115 2.891 -8.123 1.00 0.36 C ATOM 1031 C ASN A 65 11.485 1.617 -7.627 1.00 0.32 C ATOM 1032 O ASN A 65 12.162 0.653 -7.284 1.00 0.37 O ATOM 1033 CB ASN A 65 13.187 2.630 -9.203 1.00 0.48 C ATOM 1034 CG ASN A 65 14.342 1.744 -8.757 1.00 1.24 C ATOM 1035 OD1 ASN A 65 15.371 2.344 -8.180 1.00 2.02 O flip ATOM 1036 ND2 ASN A 65 14.316 0.530 -8.945 1.00 1.96 N flip ATOM 0 H ASN A 65 13.588 3.289 -6.703 1.00 0.32 H new ATOM 0 HA ASN A 65 11.377 3.520 -8.622 1.00 0.36 H new ATOM 0 HB2 ASN A 65 12.707 2.170 -10.067 1.00 0.48 H new ATOM 0 HB3 ASN A 65 13.589 3.587 -9.534 1.00 0.48 H new ATOM 0 HD21 ASN A 65 13.506 0.100 -9.393 1.00 1.96 H new ATOM 0 HD22 ASN A 65 15.104 -0.048 -8.653 1.00 1.96 H new ATOM 1043 N VAL A 66 10.182 1.644 -7.504 1.00 0.31 N ATOM 1044 CA VAL A 66 9.493 0.524 -6.936 1.00 0.29 C ATOM 1045 C VAL A 66 8.942 -0.367 -8.013 1.00 0.31 C ATOM 1046 O VAL A 66 8.238 0.079 -8.916 1.00 0.37 O ATOM 1047 CB VAL A 66 8.376 0.922 -5.972 1.00 0.37 C ATOM 1048 CG1 VAL A 66 7.581 -0.326 -5.625 1.00 0.67 C ATOM 1049 CG2 VAL A 66 8.957 1.564 -4.714 1.00 0.65 C ATOM 0 H VAL A 66 9.586 2.422 -7.787 1.00 0.31 H new ATOM 0 HA VAL A 66 10.238 -0.019 -6.353 1.00 0.29 H new ATOM 0 HB VAL A 66 7.722 1.657 -6.440 1.00 0.37 H new ATOM 0 HG11 VAL A 66 6.777 -0.066 -4.937 1.00 0.67 H new ATOM 0 HG12 VAL A 66 7.157 -0.752 -6.534 1.00 0.67 H new ATOM 0 HG13 VAL A 66 8.238 -1.057 -5.155 1.00 0.67 H new ATOM 0 HG21 VAL A 66 8.147 1.841 -4.039 1.00 0.65 H new ATOM 0 HG22 VAL A 66 9.618 0.855 -4.216 1.00 0.65 H new ATOM 0 HG23 VAL A 66 9.522 2.455 -4.988 1.00 0.65 H new ATOM 1059 N THR A 67 9.236 -1.632 -7.873 1.00 0.34 N ATOM 1060 CA THR A 67 8.933 -2.602 -8.890 1.00 0.39 C ATOM 1061 C THR A 67 7.717 -3.425 -8.468 1.00 0.47 C ATOM 1062 O THR A 67 7.849 -4.374 -7.702 1.00 0.71 O ATOM 1063 CB THR A 67 10.151 -3.525 -9.102 1.00 0.48 C ATOM 1064 OG1 THR A 67 11.348 -2.735 -9.170 1.00 0.58 O ATOM 1065 CG2 THR A 67 10.015 -4.330 -10.380 1.00 0.74 C ATOM 0 H THR A 67 9.694 -2.020 -7.048 1.00 0.34 H new ATOM 0 HA THR A 67 8.707 -2.091 -9.826 1.00 0.39 H new ATOM 0 HB THR A 67 10.202 -4.216 -8.260 1.00 0.48 H new ATOM 0 HG1 THR A 67 12.121 -3.323 -9.303 1.00 0.58 H new ATOM 0 HG21 THR A 67 10.889 -4.970 -10.501 1.00 0.74 H new ATOM 0 HG22 THR A 67 9.118 -4.946 -10.328 1.00 0.74 H new ATOM 0 HG23 THR A 67 9.941 -3.652 -11.231 1.00 0.74 H new ATOM 1073 N SER A 68 6.537 -3.044 -8.940 1.00 0.44 N ATOM 1074 CA SER A 68 5.306 -3.733 -8.565 1.00 0.52 C ATOM 1075 C SER A 68 4.880 -4.725 -9.640 1.00 0.53 C ATOM 1076 O SER A 68 4.278 -4.354 -10.641 1.00 0.65 O ATOM 1077 CB SER A 68 4.188 -2.722 -8.312 1.00 0.60 C ATOM 1078 OG SER A 68 4.505 -1.876 -7.220 1.00 1.14 O ATOM 0 H SER A 68 6.405 -2.263 -9.582 1.00 0.44 H new ATOM 0 HA SER A 68 5.499 -4.288 -7.647 1.00 0.52 H new ATOM 0 HB2 SER A 68 4.027 -2.121 -9.207 1.00 0.60 H new ATOM 0 HB3 SER A 68 3.255 -3.249 -8.110 1.00 0.60 H new ATOM 0 HG SER A 68 5.381 -2.125 -6.857 1.00 1.14 H new ATOM 1084 N ILE A 69 5.197 -5.987 -9.422 1.00 0.53 N ATOM 1085 CA ILE A 69 4.872 -7.032 -10.379 1.00 0.53 C ATOM 1086 C ILE A 69 3.407 -7.431 -10.293 1.00 0.60 C ATOM 1087 O ILE A 69 2.844 -7.555 -9.212 1.00 0.74 O ATOM 1088 CB ILE A 69 5.759 -8.272 -10.164 1.00 0.54 C ATOM 1089 CG1 ILE A 69 5.335 -9.401 -11.111 1.00 0.66 C ATOM 1090 CG2 ILE A 69 5.677 -8.718 -8.708 1.00 0.57 C ATOM 1091 CD1 ILE A 69 6.446 -10.366 -11.453 1.00 0.78 C ATOM 0 H ILE A 69 5.682 -6.316 -8.587 1.00 0.53 H new ATOM 0 HA ILE A 69 5.062 -6.626 -11.373 1.00 0.53 H new ATOM 0 HB ILE A 69 6.794 -8.017 -10.390 1.00 0.54 H new ATOM 0 HG12 ILE A 69 4.514 -9.955 -10.655 1.00 0.66 H new ATOM 0 HG13 ILE A 69 4.951 -8.963 -12.033 1.00 0.66 H new ATOM 0 HG21 ILE A 69 6.306 -9.596 -8.560 1.00 0.57 H new ATOM 0 HG22 ILE A 69 6.021 -7.912 -8.061 1.00 0.57 H new ATOM 0 HG23 ILE A 69 4.645 -8.966 -8.461 1.00 0.57 H new ATOM 0 HD11 ILE A 69 6.066 -11.134 -12.126 1.00 0.78 H new ATOM 0 HD12 ILE A 69 7.259 -9.827 -11.939 1.00 0.78 H new ATOM 0 HD13 ILE A 69 6.815 -10.834 -10.540 1.00 0.78 H new ATOM 1103 N LEU A 70 2.801 -7.612 -11.453 1.00 0.56 N ATOM 1104 CA LEU A 70 1.405 -7.995 -11.550 1.00 0.64 C ATOM 1105 C LEU A 70 1.166 -8.753 -12.840 1.00 0.64 C ATOM 1106 O LEU A 70 1.940 -8.641 -13.795 1.00 0.67 O ATOM 1107 CB LEU A 70 0.494 -6.757 -11.468 1.00 0.74 C ATOM 1108 CG LEU A 70 1.196 -5.387 -11.537 1.00 0.66 C ATOM 1109 CD1 LEU A 70 1.773 -5.116 -12.918 1.00 0.96 C ATOM 1110 CD2 LEU A 70 0.240 -4.275 -11.147 1.00 1.18 C ATOM 0 H LEU A 70 3.264 -7.497 -12.355 1.00 0.56 H new ATOM 0 HA LEU A 70 1.161 -8.647 -10.711 1.00 0.64 H new ATOM 0 HB2 LEU A 70 -0.231 -6.811 -12.280 1.00 0.74 H new ATOM 0 HB3 LEU A 70 -0.068 -6.807 -10.535 1.00 0.74 H new ATOM 0 HG LEU A 70 2.023 -5.413 -10.827 1.00 0.66 H new ATOM 0 HD11 LEU A 70 2.259 -4.140 -12.924 1.00 0.96 H new ATOM 0 HD12 LEU A 70 2.503 -5.887 -13.165 1.00 0.96 H new ATOM 0 HD13 LEU A 70 0.971 -5.126 -13.656 1.00 0.96 H new ATOM 0 HD21 LEU A 70 0.755 -3.316 -11.202 1.00 1.18 H new ATOM 0 HD22 LEU A 70 -0.610 -4.270 -11.829 1.00 1.18 H new ATOM 0 HD23 LEU A 70 -0.113 -4.439 -10.129 1.00 1.18 H new ATOM 1122 N VAL A 71 0.106 -9.540 -12.858 1.00 0.70 N ATOM 1123 CA VAL A 71 -0.211 -10.359 -14.010 1.00 0.74 C ATOM 1124 C VAL A 71 -0.981 -9.543 -15.029 1.00 0.83 C ATOM 1125 O VAL A 71 -2.095 -9.091 -14.758 1.00 0.99 O ATOM 1126 CB VAL A 71 -1.031 -11.595 -13.619 1.00 0.82 C ATOM 1127 CG1 VAL A 71 -1.055 -12.587 -14.769 1.00 0.88 C ATOM 1128 CG2 VAL A 71 -0.464 -12.229 -12.360 1.00 0.84 C ATOM 0 H VAL A 71 -0.552 -9.628 -12.083 1.00 0.70 H new ATOM 0 HA VAL A 71 0.730 -10.699 -14.442 1.00 0.74 H new ATOM 0 HB VAL A 71 -2.056 -11.291 -13.408 1.00 0.82 H new ATOM 0 HG11 VAL A 71 -1.639 -13.462 -14.483 1.00 0.88 H new ATOM 0 HG12 VAL A 71 -1.507 -12.119 -15.644 1.00 0.88 H new ATOM 0 HG13 VAL A 71 -0.036 -12.893 -15.007 1.00 0.88 H new ATOM 0 HG21 VAL A 71 -1.056 -13.105 -12.095 1.00 0.84 H new ATOM 0 HG22 VAL A 71 0.569 -12.530 -12.537 1.00 0.84 H new ATOM 0 HG23 VAL A 71 -0.497 -11.508 -11.543 1.00 0.84 H new ATOM 1138 N ARG A 72 -0.387 -9.356 -16.196 1.00 0.83 N ATOM 1139 CA ARG A 72 -0.950 -8.468 -17.197 1.00 0.95 C ATOM 1140 C ARG A 72 -1.039 -9.168 -18.546 1.00 1.12 C ATOM 1141 O ARG A 72 -0.018 -9.443 -19.177 1.00 1.43 O ATOM 1142 CB ARG A 72 -0.084 -7.213 -17.327 1.00 1.03 C ATOM 1143 CG ARG A 72 0.373 -6.649 -15.989 1.00 1.02 C ATOM 1144 CD ARG A 72 1.039 -5.289 -16.133 1.00 1.01 C ATOM 1145 NE ARG A 72 0.059 -4.204 -16.218 1.00 1.53 N ATOM 1146 CZ ARG A 72 0.374 -2.918 -16.371 1.00 2.19 C ATOM 1147 NH1 ARG A 72 1.641 -2.557 -16.554 1.00 2.48 N ATOM 1148 NH2 ARG A 72 -0.584 -1.996 -16.357 1.00 2.99 N ATOM 0 H ARG A 72 0.485 -9.808 -16.473 1.00 0.83 H new ATOM 0 HA ARG A 72 -1.954 -8.186 -16.881 1.00 0.95 H new ATOM 0 HB2 ARG A 72 0.792 -7.447 -17.932 1.00 1.03 H new ATOM 0 HB3 ARG A 72 -0.646 -6.447 -17.862 1.00 1.03 H new ATOM 0 HG2 ARG A 72 -0.485 -6.562 -15.322 1.00 1.02 H new ATOM 0 HG3 ARG A 72 1.070 -7.345 -15.523 1.00 1.02 H new ATOM 0 HD2 ARG A 72 1.698 -5.116 -15.282 1.00 1.01 H new ATOM 0 HD3 ARG A 72 1.664 -5.284 -17.026 1.00 1.01 H new ATOM 0 HE ARG A 72 -0.929 -4.449 -16.156 1.00 1.53 H new ATOM 0 HH11 ARG A 72 2.375 -3.265 -16.578 1.00 2.48 H new ATOM 0 HH12 ARG A 72 1.879 -1.572 -16.671 1.00 2.48 H new ATOM 0 HH21 ARG A 72 -1.557 -2.274 -16.229 1.00 2.99 H new ATOM 0 HH22 ARG A 72 -0.346 -1.011 -16.474 1.00 2.99 H new ATOM 1162 N GLY A 73 -2.253 -9.472 -18.973 1.00 1.41 N ATOM 1163 CA GLY A 73 -2.451 -10.065 -20.280 1.00 1.65 C ATOM 1164 C GLY A 73 -2.140 -11.548 -20.297 1.00 1.69 C ATOM 1165 O GLY A 73 -2.944 -12.360 -19.837 1.00 2.28 O ATOM 0 H GLY A 73 -3.108 -9.319 -18.438 1.00 1.41 H new ATOM 0 HA2 GLY A 73 -3.483 -9.910 -20.593 1.00 1.65 H new ATOM 0 HA3 GLY A 73 -1.818 -9.556 -21.006 1.00 1.65 H new ATOM 1169 N GLN A 74 -0.971 -11.903 -20.813 1.00 1.63 N ATOM 1170 CA GLN A 74 -0.584 -13.303 -20.918 1.00 1.87 C ATOM 1171 C GLN A 74 0.744 -13.549 -20.194 1.00 1.45 C ATOM 1172 O GLN A 74 1.686 -14.107 -20.759 1.00 1.77 O ATOM 1173 CB GLN A 74 -0.484 -13.721 -22.394 1.00 2.56 C ATOM 1174 CG GLN A 74 -0.358 -15.228 -22.600 1.00 3.31 C ATOM 1175 CD GLN A 74 -0.200 -15.626 -24.060 1.00 4.11 C ATOM 1176 OE1 GLN A 74 -0.812 -14.874 -24.962 1.00 4.39 O flip ATOM 1177 NE2 GLN A 74 0.459 -16.616 -24.377 1.00 4.91 N flip ATOM 0 H GLN A 74 -0.277 -11.244 -21.164 1.00 1.63 H new ATOM 0 HA GLN A 74 -1.351 -13.912 -20.439 1.00 1.87 H new ATOM 0 HB2 GLN A 74 -1.367 -13.364 -22.924 1.00 2.56 H new ATOM 0 HB3 GLN A 74 0.378 -13.229 -22.844 1.00 2.56 H new ATOM 0 HG2 GLN A 74 0.500 -15.594 -22.036 1.00 3.31 H new ATOM 0 HG3 GLN A 74 -1.241 -15.719 -22.191 1.00 3.31 H new ATOM 0 HE21 GLN A 74 0.918 -17.175 -23.658 1.00 4.91 H new ATOM 0 HE22 GLN A 74 0.546 -16.878 -25.359 1.00 4.91 H new ATOM 1186 N GLY A 75 0.829 -13.103 -18.947 1.00 0.97 N ATOM 1187 CA GLY A 75 1.992 -13.412 -18.137 1.00 0.88 C ATOM 1188 C GLY A 75 2.156 -12.470 -16.965 1.00 0.81 C ATOM 1189 O GLY A 75 1.227 -11.752 -16.606 1.00 0.81 O ATOM 0 H GLY A 75 0.118 -12.536 -18.484 1.00 0.97 H new ATOM 0 HA2 GLY A 75 1.911 -14.434 -17.767 1.00 0.88 H new ATOM 0 HA3 GLY A 75 2.885 -13.369 -18.760 1.00 0.88 H new ATOM 1193 N CYS A 76 3.351 -12.443 -16.393 1.00 0.79 N ATOM 1194 CA CYS A 76 3.630 -11.589 -15.251 1.00 0.73 C ATOM 1195 C CYS A 76 4.587 -10.495 -15.702 1.00 0.75 C ATOM 1196 O CYS A 76 5.483 -10.756 -16.507 1.00 0.92 O ATOM 1197 CB CYS A 76 4.297 -12.388 -14.115 1.00 0.78 C ATOM 1198 SG CYS A 76 5.984 -12.973 -14.512 1.00 1.26 S ATOM 0 H CYS A 76 4.144 -13.005 -16.703 1.00 0.79 H new ATOM 0 HA CYS A 76 2.694 -11.172 -14.880 1.00 0.73 H new ATOM 0 HB2 CYS A 76 4.340 -11.764 -13.222 1.00 0.78 H new ATOM 0 HB3 CYS A 76 3.672 -13.248 -13.873 1.00 0.78 H new ATOM 1203 N ARG A 77 4.397 -9.279 -15.231 1.00 0.65 N ATOM 1204 CA ARG A 77 5.338 -8.217 -15.543 1.00 0.67 C ATOM 1205 C ARG A 77 5.514 -7.302 -14.349 1.00 0.57 C ATOM 1206 O ARG A 77 4.585 -7.096 -13.569 1.00 0.56 O ATOM 1207 CB ARG A 77 4.876 -7.389 -16.743 1.00 0.79 C ATOM 1208 CG ARG A 77 5.980 -6.501 -17.300 1.00 1.22 C ATOM 1209 CD ARG A 77 5.431 -5.380 -18.158 1.00 1.46 C ATOM 1210 NE ARG A 77 5.582 -4.072 -17.516 1.00 2.14 N ATOM 1211 CZ ARG A 77 4.890 -2.993 -17.873 1.00 2.81 C ATOM 1212 NH1 ARG A 77 3.949 -3.089 -18.803 1.00 3.04 N ATOM 1213 NH2 ARG A 77 5.133 -1.822 -17.293 1.00 3.68 N ATOM 0 H ARG A 77 3.613 -9.002 -14.640 1.00 0.65 H new ATOM 0 HA ARG A 77 6.288 -8.690 -15.792 1.00 0.67 H new ATOM 0 HB2 ARG A 77 4.522 -8.058 -17.527 1.00 0.79 H new ATOM 0 HB3 ARG A 77 4.030 -6.769 -16.448 1.00 0.79 H new ATOM 0 HG2 ARG A 77 6.555 -6.078 -16.476 1.00 1.22 H new ATOM 0 HG3 ARG A 77 6.668 -7.106 -17.891 1.00 1.22 H new ATOM 0 HD2 ARG A 77 5.946 -5.374 -19.119 1.00 1.46 H new ATOM 0 HD3 ARG A 77 4.376 -5.564 -18.363 1.00 1.46 H new ATOM 0 HE ARG A 77 6.254 -3.984 -16.754 1.00 2.14 H new ATOM 0 HH11 ARG A 77 3.757 -3.989 -19.243 1.00 3.04 H new ATOM 0 HH12 ARG A 77 3.418 -2.263 -19.078 1.00 3.04 H new ATOM 0 HH21 ARG A 77 5.851 -1.749 -16.573 1.00 3.68 H new ATOM 0 HH22 ARG A 77 4.601 -0.996 -17.568 1.00 3.68 H new ATOM 1227 N TYR A 78 6.710 -6.765 -14.210 1.00 0.56 N ATOM 1228 CA TYR A 78 6.983 -5.789 -13.180 1.00 0.48 C ATOM 1229 C TYR A 78 6.519 -4.414 -13.647 1.00 0.47 C ATOM 1230 O TYR A 78 6.886 -3.963 -14.733 1.00 0.53 O ATOM 1231 CB TYR A 78 8.480 -5.761 -12.862 1.00 0.47 C ATOM 1232 CG TYR A 78 9.034 -7.074 -12.338 1.00 0.53 C ATOM 1233 CD1 TYR A 78 8.669 -7.569 -11.089 1.00 0.47 C ATOM 1234 CD2 TYR A 78 9.927 -7.820 -13.098 1.00 0.70 C ATOM 1235 CE1 TYR A 78 9.178 -8.767 -10.618 1.00 0.54 C ATOM 1236 CE2 TYR A 78 10.438 -9.018 -12.633 1.00 0.79 C ATOM 1237 CZ TYR A 78 10.060 -9.485 -11.393 1.00 0.70 C ATOM 1238 OH TYR A 78 10.571 -10.675 -10.924 1.00 0.80 O ATOM 0 H TYR A 78 7.510 -6.991 -14.801 1.00 0.56 H new ATOM 0 HA TYR A 78 6.442 -6.062 -12.274 1.00 0.48 H new ATOM 0 HB2 TYR A 78 9.026 -5.485 -13.764 1.00 0.47 H new ATOM 0 HB3 TYR A 78 8.668 -4.981 -12.124 1.00 0.47 H new ATOM 0 HD1 TYR A 78 7.977 -7.009 -10.477 1.00 0.47 H new ATOM 0 HD2 TYR A 78 10.227 -7.457 -14.070 1.00 0.70 H new ATOM 0 HE1 TYR A 78 8.884 -9.137 -9.647 1.00 0.54 H new ATOM 0 HE2 TYR A 78 11.130 -9.585 -13.239 1.00 0.79 H new ATOM 0 HH TYR A 78 11.178 -11.057 -11.592 1.00 0.80 H new ATOM 1248 N TRP A 79 5.677 -3.777 -12.853 1.00 0.47 N ATOM 1249 CA TRP A 79 5.257 -2.413 -13.119 1.00 0.51 C ATOM 1250 C TRP A 79 5.991 -1.487 -12.156 1.00 0.46 C ATOM 1251 O TRP A 79 5.673 -1.428 -10.969 1.00 0.45 O ATOM 1252 CB TRP A 79 3.737 -2.289 -12.945 1.00 0.61 C ATOM 1253 CG TRP A 79 3.160 -1.017 -13.495 1.00 0.72 C ATOM 1254 CD1 TRP A 79 3.748 -0.159 -14.382 1.00 1.33 C ATOM 1255 CD2 TRP A 79 1.869 -0.468 -13.201 1.00 1.44 C ATOM 1256 NE1 TRP A 79 2.907 0.895 -14.644 1.00 1.23 N ATOM 1257 CE2 TRP A 79 1.748 0.728 -13.932 1.00 1.32 C ATOM 1258 CE3 TRP A 79 0.808 -0.870 -12.385 1.00 2.64 C ATOM 1259 CZ2 TRP A 79 0.607 1.524 -13.872 1.00 2.09 C ATOM 1260 CZ3 TRP A 79 -0.325 -0.081 -12.328 1.00 3.53 C ATOM 1261 CH2 TRP A 79 -0.418 1.106 -13.067 1.00 3.20 C ATOM 0 H TRP A 79 5.268 -4.186 -12.013 1.00 0.47 H new ATOM 0 HA TRP A 79 5.499 -2.135 -14.145 1.00 0.51 H new ATOM 0 HB2 TRP A 79 3.256 -3.136 -13.435 1.00 0.61 H new ATOM 0 HB3 TRP A 79 3.497 -2.356 -11.884 1.00 0.61 H new ATOM 0 HD1 TRP A 79 4.729 -0.290 -14.813 1.00 1.33 H new ATOM 0 HE1 TRP A 79 3.112 1.676 -15.268 1.00 1.23 H new ATOM 0 HE3 TRP A 79 0.872 -1.781 -11.809 1.00 2.64 H new ATOM 0 HZ2 TRP A 79 0.533 2.439 -14.441 1.00 2.09 H new ATOM 0 HZ3 TRP A 79 -1.152 -0.384 -11.704 1.00 3.53 H new ATOM 0 HH2 TRP A 79 -1.316 1.703 -13.000 1.00 3.20 H new ATOM 1272 N ILE A 80 6.973 -0.771 -12.670 1.00 0.46 N ATOM 1273 CA ILE A 80 7.867 0.009 -11.828 1.00 0.42 C ATOM 1274 C ILE A 80 7.479 1.489 -11.855 1.00 0.42 C ATOM 1275 O ILE A 80 7.087 2.011 -12.898 1.00 0.49 O ATOM 1276 CB ILE A 80 9.354 -0.154 -12.255 1.00 0.43 C ATOM 1277 CG1 ILE A 80 9.757 -1.635 -12.355 1.00 0.48 C ATOM 1278 CG2 ILE A 80 10.274 0.546 -11.269 1.00 0.40 C ATOM 1279 CD1 ILE A 80 9.374 -2.295 -13.661 1.00 0.55 C ATOM 0 H ILE A 80 7.174 -0.712 -13.668 1.00 0.46 H new ATOM 0 HA ILE A 80 7.765 -0.372 -10.812 1.00 0.42 H new ATOM 0 HB ILE A 80 9.455 0.302 -13.240 1.00 0.43 H new ATOM 0 HG12 ILE A 80 10.836 -1.716 -12.223 1.00 0.48 H new ATOM 0 HG13 ILE A 80 9.293 -2.182 -11.534 1.00 0.48 H new ATOM 0 HG21 ILE A 80 11.310 0.420 -11.585 1.00 0.40 H new ATOM 0 HG22 ILE A 80 10.031 1.608 -11.236 1.00 0.40 H new ATOM 0 HG23 ILE A 80 10.142 0.112 -10.278 1.00 0.40 H new ATOM 0 HD11 ILE A 80 9.694 -3.337 -13.650 1.00 0.55 H new ATOM 0 HD12 ILE A 80 8.292 -2.249 -13.789 1.00 0.55 H new ATOM 0 HD13 ILE A 80 9.859 -1.775 -14.487 1.00 0.55 H new ATOM 1291 N ARG A 81 7.567 2.149 -10.704 1.00 0.41 N ATOM 1292 CA ARG A 81 7.225 3.566 -10.593 1.00 0.44 C ATOM 1293 C ARG A 81 8.141 4.247 -9.583 1.00 0.35 C ATOM 1294 O ARG A 81 8.936 3.583 -8.918 1.00 0.42 O ATOM 1295 CB ARG A 81 5.767 3.730 -10.158 1.00 0.57 C ATOM 1296 CG ARG A 81 5.509 3.324 -8.715 1.00 1.21 C ATOM 1297 CD ARG A 81 4.029 3.379 -8.380 1.00 1.97 C ATOM 1298 NE ARG A 81 3.255 2.458 -9.208 1.00 2.78 N ATOM 1299 CZ ARG A 81 3.128 1.160 -8.950 1.00 3.79 C ATOM 1300 NH1 ARG A 81 3.705 0.637 -7.873 1.00 4.16 N ATOM 1301 NH2 ARG A 81 2.428 0.385 -9.768 1.00 4.76 N ATOM 0 H ARG A 81 7.874 1.723 -9.829 1.00 0.41 H new ATOM 0 HA ARG A 81 7.357 4.032 -11.570 1.00 0.44 H new ATOM 0 HB2 ARG A 81 5.472 4.771 -10.291 1.00 0.57 H new ATOM 0 HB3 ARG A 81 5.133 3.133 -10.813 1.00 0.57 H new ATOM 0 HG2 ARG A 81 5.884 2.315 -8.547 1.00 1.21 H new ATOM 0 HG3 ARG A 81 6.060 3.985 -8.046 1.00 1.21 H new ATOM 0 HD2 ARG A 81 3.884 3.133 -7.328 1.00 1.97 H new ATOM 0 HD3 ARG A 81 3.661 4.395 -8.523 1.00 1.97 H new ATOM 0 HE ARG A 81 2.785 2.832 -10.032 1.00 2.78 H new ATOM 0 HH11 ARG A 81 4.245 1.231 -7.244 1.00 4.16 H new ATOM 0 HH12 ARG A 81 3.608 -0.359 -7.675 1.00 4.16 H new ATOM 0 HH21 ARG A 81 1.986 0.785 -10.596 1.00 4.76 H new ATOM 0 HH22 ARG A 81 2.331 -0.611 -9.569 1.00 4.76 H new ATOM 1315 N THR A 82 8.014 5.560 -9.450 1.00 0.41 N ATOM 1316 CA THR A 82 8.861 6.317 -8.542 1.00 0.35 C ATOM 1317 C THR A 82 8.099 6.705 -7.278 1.00 0.32 C ATOM 1318 O THR A 82 7.056 7.354 -7.349 1.00 0.36 O ATOM 1319 CB THR A 82 9.400 7.590 -9.227 1.00 0.38 C ATOM 1320 OG1 THR A 82 9.915 7.262 -10.522 1.00 0.45 O ATOM 1321 CG2 THR A 82 10.498 8.254 -8.398 1.00 0.36 C ATOM 0 H THR A 82 7.332 6.122 -9.960 1.00 0.41 H new ATOM 0 HA THR A 82 9.700 5.677 -8.267 1.00 0.35 H new ATOM 0 HB THR A 82 8.572 8.293 -9.320 1.00 0.38 H new ATOM 0 HG1 THR A 82 10.255 8.073 -10.954 1.00 0.45 H new ATOM 0 HG21 THR A 82 10.853 9.147 -8.913 1.00 0.36 H new ATOM 0 HG22 THR A 82 10.100 8.532 -7.422 1.00 0.36 H new ATOM 0 HG23 THR A 82 11.326 7.558 -8.267 1.00 0.36 H new ATOM 1329 N PHE A 83 8.613 6.277 -6.136 1.00 0.27 N ATOM 1330 CA PHE A 83 8.083 6.683 -4.839 1.00 0.26 C ATOM 1331 C PHE A 83 9.075 7.608 -4.154 1.00 0.26 C ATOM 1332 O PHE A 83 10.204 7.224 -3.877 1.00 0.36 O ATOM 1333 CB PHE A 83 7.807 5.467 -3.943 1.00 0.26 C ATOM 1334 CG PHE A 83 6.490 4.782 -4.188 1.00 0.29 C ATOM 1335 CD1 PHE A 83 5.310 5.505 -4.269 1.00 0.37 C ATOM 1336 CD2 PHE A 83 6.434 3.406 -4.318 1.00 0.33 C ATOM 1337 CE1 PHE A 83 4.103 4.862 -4.482 1.00 0.44 C ATOM 1338 CE2 PHE A 83 5.235 2.755 -4.526 1.00 0.38 C ATOM 1339 CZ PHE A 83 4.064 3.485 -4.610 1.00 0.42 C ATOM 0 H PHE A 83 9.407 5.640 -6.079 1.00 0.27 H new ATOM 0 HA PHE A 83 7.139 7.204 -5.003 1.00 0.26 H new ATOM 0 HB2 PHE A 83 8.608 4.742 -4.084 1.00 0.26 H new ATOM 0 HB3 PHE A 83 7.845 5.786 -2.901 1.00 0.26 H new ATOM 0 HD1 PHE A 83 5.333 6.580 -4.165 1.00 0.37 H new ATOM 0 HD2 PHE A 83 7.346 2.830 -4.256 1.00 0.33 H new ATOM 0 HE1 PHE A 83 3.191 5.436 -4.548 1.00 0.44 H new ATOM 0 HE2 PHE A 83 5.212 1.680 -4.623 1.00 0.38 H new ATOM 0 HZ PHE A 83 3.122 2.982 -4.775 1.00 0.42 H new ATOM 1349 N VAL A 84 8.652 8.821 -3.884 1.00 0.24 N ATOM 1350 CA VAL A 84 9.535 9.830 -3.327 1.00 0.24 C ATOM 1351 C VAL A 84 9.008 10.334 -1.990 1.00 0.24 C ATOM 1352 O VAL A 84 7.798 10.458 -1.796 1.00 0.27 O ATOM 1353 CB VAL A 84 9.691 11.020 -4.291 1.00 0.27 C ATOM 1354 CG1 VAL A 84 10.536 10.643 -5.502 1.00 0.30 C ATOM 1355 CG2 VAL A 84 8.325 11.506 -4.726 1.00 0.29 C ATOM 0 H VAL A 84 7.695 9.139 -4.041 1.00 0.24 H new ATOM 0 HA VAL A 84 10.508 9.363 -3.176 1.00 0.24 H new ATOM 0 HB VAL A 84 10.208 11.824 -3.767 1.00 0.27 H new ATOM 0 HG11 VAL A 84 10.628 11.504 -6.164 1.00 0.30 H new ATOM 0 HG12 VAL A 84 11.527 10.332 -5.172 1.00 0.30 H new ATOM 0 HG13 VAL A 84 10.058 9.823 -6.038 1.00 0.30 H new ATOM 0 HG21 VAL A 84 8.439 12.348 -5.408 1.00 0.29 H new ATOM 0 HG22 VAL A 84 7.796 10.698 -5.232 1.00 0.29 H new ATOM 0 HG23 VAL A 84 7.756 11.822 -3.852 1.00 0.29 H new ATOM 1365 N PRO A 85 9.915 10.608 -1.046 1.00 0.35 N ATOM 1366 CA PRO A 85 9.559 11.157 0.263 1.00 0.34 C ATOM 1367 C PRO A 85 8.803 12.475 0.141 1.00 0.38 C ATOM 1368 O PRO A 85 9.164 13.340 -0.657 1.00 0.52 O ATOM 1369 CB PRO A 85 10.915 11.377 0.943 1.00 0.49 C ATOM 1370 CG PRO A 85 11.840 10.442 0.247 1.00 0.78 C ATOM 1371 CD PRO A 85 11.363 10.391 -1.176 1.00 0.56 C ATOM 0 HA PRO A 85 8.897 10.494 0.819 1.00 0.34 H new ATOM 0 HB2 PRO A 85 11.246 12.411 0.842 1.00 0.49 H new ATOM 0 HB3 PRO A 85 10.863 11.162 2.010 1.00 0.49 H new ATOM 0 HG2 PRO A 85 12.870 10.794 0.303 1.00 0.78 H new ATOM 0 HG3 PRO A 85 11.816 9.453 0.705 1.00 0.78 H new ATOM 0 HD2 PRO A 85 11.833 11.161 -1.787 1.00 0.56 H new ATOM 0 HD3 PRO A 85 11.587 9.432 -1.643 1.00 0.56 H new ATOM 1379 N SER A 86 7.745 12.599 0.928 1.00 0.34 N ATOM 1380 CA SER A 86 6.918 13.793 0.953 1.00 0.46 C ATOM 1381 C SER A 86 7.617 14.896 1.757 1.00 0.58 C ATOM 1382 O SER A 86 8.833 15.060 1.674 1.00 0.93 O ATOM 1383 CB SER A 86 5.564 13.442 1.578 1.00 0.53 C ATOM 1384 OG SER A 86 4.615 14.477 1.400 1.00 1.27 O ATOM 0 H SER A 86 7.435 11.869 1.570 1.00 0.34 H new ATOM 0 HA SER A 86 6.761 14.161 -0.061 1.00 0.46 H new ATOM 0 HB2 SER A 86 5.186 12.522 1.132 1.00 0.53 H new ATOM 0 HB3 SER A 86 5.695 13.249 2.643 1.00 0.53 H new ATOM 0 HG SER A 86 3.770 14.095 1.082 1.00 1.27 H new ATOM 1390 N SER A 87 6.853 15.631 2.557 1.00 0.75 N ATOM 1391 CA SER A 87 7.402 16.724 3.348 1.00 0.90 C ATOM 1392 C SER A 87 8.338 16.189 4.432 1.00 0.79 C ATOM 1393 O SER A 87 9.090 16.943 5.049 1.00 0.89 O ATOM 1394 CB SER A 87 6.267 17.520 3.990 1.00 1.12 C ATOM 1395 OG SER A 87 5.236 17.780 3.053 1.00 1.70 O ATOM 0 H SER A 87 5.850 15.489 2.674 1.00 0.75 H new ATOM 0 HA SER A 87 7.974 17.376 2.688 1.00 0.90 H new ATOM 0 HB2 SER A 87 5.863 16.965 4.837 1.00 1.12 H new ATOM 0 HB3 SER A 87 6.654 18.461 4.381 1.00 1.12 H new ATOM 0 HG SER A 87 4.520 18.289 3.487 1.00 1.70 H new ATOM 1401 N ARG A 88 8.288 14.880 4.647 1.00 0.64 N ATOM 1402 CA ARG A 88 9.081 14.235 5.681 1.00 0.58 C ATOM 1403 C ARG A 88 9.273 12.760 5.344 1.00 0.49 C ATOM 1404 O ARG A 88 8.373 12.123 4.788 1.00 0.46 O ATOM 1405 CB ARG A 88 8.403 14.372 7.051 1.00 0.66 C ATOM 1406 CG ARG A 88 7.026 13.724 7.138 1.00 0.75 C ATOM 1407 CD ARG A 88 5.934 14.613 6.570 1.00 1.11 C ATOM 1408 NE ARG A 88 5.814 15.885 7.279 1.00 1.51 N ATOM 1409 CZ ARG A 88 4.678 16.569 7.383 1.00 1.84 C ATOM 1410 NH1 ARG A 88 3.545 16.059 6.916 1.00 1.95 N ATOM 1411 NH2 ARG A 88 4.671 17.753 7.976 1.00 2.59 N ATOM 0 H ARG A 88 7.700 14.241 4.112 1.00 0.64 H new ATOM 0 HA ARG A 88 10.053 14.725 5.726 1.00 0.58 H new ATOM 0 HB2 ARG A 88 9.049 13.928 7.809 1.00 0.66 H new ATOM 0 HB3 ARG A 88 8.309 15.431 7.292 1.00 0.66 H new ATOM 0 HG2 ARG A 88 7.038 12.777 6.598 1.00 0.75 H new ATOM 0 HG3 ARG A 88 6.800 13.495 8.179 1.00 0.75 H new ATOM 0 HD2 ARG A 88 6.140 14.807 5.517 1.00 1.11 H new ATOM 0 HD3 ARG A 88 4.981 14.085 6.616 1.00 1.11 H new ATOM 0 HE ARG A 88 6.649 16.271 7.719 1.00 1.51 H new ATOM 0 HH11 ARG A 88 3.543 15.139 6.475 1.00 1.95 H new ATOM 0 HH12 ARG A 88 2.676 16.587 6.998 1.00 1.95 H new ATOM 0 HH21 ARG A 88 5.536 18.140 8.353 1.00 2.59 H new ATOM 0 HH22 ARG A 88 3.800 18.278 8.056 1.00 2.59 H new ATOM 1425 N PRO A 89 10.455 12.207 5.658 1.00 0.49 N ATOM 1426 CA PRO A 89 10.753 10.787 5.448 1.00 0.48 C ATOM 1427 C PRO A 89 9.742 9.889 6.154 1.00 0.48 C ATOM 1428 O PRO A 89 9.477 10.054 7.344 1.00 0.62 O ATOM 1429 CB PRO A 89 12.148 10.615 6.061 1.00 0.58 C ATOM 1430 CG PRO A 89 12.746 11.976 6.028 1.00 0.70 C ATOM 1431 CD PRO A 89 11.603 12.929 6.236 1.00 0.56 C ATOM 0 HA PRO A 89 10.707 10.507 4.396 1.00 0.48 H new ATOM 0 HB2 PRO A 89 12.088 10.234 7.080 1.00 0.58 H new ATOM 0 HB3 PRO A 89 12.747 9.906 5.490 1.00 0.58 H new ATOM 0 HG2 PRO A 89 13.499 12.092 6.808 1.00 0.70 H new ATOM 0 HG3 PRO A 89 13.242 12.162 5.076 1.00 0.70 H new ATOM 0 HD2 PRO A 89 11.450 13.150 7.292 1.00 0.56 H new ATOM 0 HD3 PRO A 89 11.775 13.881 5.733 1.00 0.56 H new ATOM 1439 N GLY A 90 9.177 8.954 5.412 1.00 0.41 N ATOM 1440 CA GLY A 90 8.129 8.114 5.942 1.00 0.42 C ATOM 1441 C GLY A 90 6.835 8.341 5.199 1.00 0.38 C ATOM 1442 O GLY A 90 6.185 7.395 4.772 1.00 0.43 O ATOM 0 H GLY A 90 9.429 8.761 4.443 1.00 0.41 H new ATOM 0 HA2 GLY A 90 8.421 7.067 5.863 1.00 0.42 H new ATOM 0 HA3 GLY A 90 7.987 8.326 7.002 1.00 0.42 H new ATOM 1446 N GLN A 91 6.484 9.609 5.036 1.00 0.33 N ATOM 1447 CA GLN A 91 5.325 10.007 4.244 1.00 0.31 C ATOM 1448 C GLN A 91 5.748 10.013 2.780 1.00 0.26 C ATOM 1449 O GLN A 91 6.724 10.672 2.431 1.00 0.30 O ATOM 1450 CB GLN A 91 4.863 11.397 4.691 1.00 0.39 C ATOM 1451 CG GLN A 91 3.597 11.893 4.017 1.00 0.61 C ATOM 1452 CD GLN A 91 3.103 13.197 4.616 1.00 0.61 C ATOM 1453 OE1 GLN A 91 3.279 13.453 5.807 1.00 1.11 O ATOM 1454 NE2 GLN A 91 2.491 14.032 3.799 1.00 1.03 N ATOM 0 H GLN A 91 6.993 10.391 5.448 1.00 0.33 H new ATOM 0 HA GLN A 91 4.493 9.317 4.380 1.00 0.31 H new ATOM 0 HB2 GLN A 91 4.702 11.382 5.769 1.00 0.39 H new ATOM 0 HB3 GLN A 91 5.664 12.110 4.498 1.00 0.39 H new ATOM 0 HG2 GLN A 91 3.785 12.032 2.952 1.00 0.61 H new ATOM 0 HG3 GLN A 91 2.818 11.135 4.107 1.00 0.61 H new ATOM 0 HE21 GLN A 91 2.364 13.784 2.818 1.00 1.03 H new ATOM 0 HE22 GLN A 91 2.145 14.926 4.148 1.00 1.03 H new ATOM 1463 N PHE A 92 5.065 9.259 1.935 1.00 0.24 N ATOM 1464 CA PHE A 92 5.515 9.077 0.567 1.00 0.24 C ATOM 1465 C PHE A 92 4.564 9.692 -0.439 1.00 0.26 C ATOM 1466 O PHE A 92 3.348 9.714 -0.248 1.00 0.35 O ATOM 1467 CB PHE A 92 5.701 7.590 0.253 1.00 0.31 C ATOM 1468 CG PHE A 92 6.720 6.916 1.122 1.00 0.33 C ATOM 1469 CD1 PHE A 92 8.029 7.367 1.153 1.00 0.32 C ATOM 1470 CD2 PHE A 92 6.369 5.829 1.907 1.00 0.42 C ATOM 1471 CE1 PHE A 92 8.970 6.748 1.953 1.00 0.40 C ATOM 1472 CE2 PHE A 92 7.305 5.207 2.708 1.00 0.50 C ATOM 1473 CZ PHE A 92 8.606 5.666 2.731 1.00 0.48 C ATOM 0 H PHE A 92 4.203 8.767 2.170 1.00 0.24 H new ATOM 0 HA PHE A 92 6.472 9.592 0.481 1.00 0.24 H new ATOM 0 HB2 PHE A 92 4.744 7.081 0.367 1.00 0.31 H new ATOM 0 HB3 PHE A 92 5.997 7.482 -0.790 1.00 0.31 H new ATOM 0 HD1 PHE A 92 8.317 8.212 0.545 1.00 0.32 H new ATOM 0 HD2 PHE A 92 5.352 5.465 1.892 1.00 0.42 H new ATOM 0 HE1 PHE A 92 9.988 7.109 1.970 1.00 0.40 H new ATOM 0 HE2 PHE A 92 7.019 4.362 3.316 1.00 0.50 H new ATOM 0 HZ PHE A 92 9.339 5.180 3.357 1.00 0.48 H new ATOM 1483 N THR A 93 5.157 10.181 -1.508 1.00 0.23 N ATOM 1484 CA THR A 93 4.449 10.731 -2.641 1.00 0.27 C ATOM 1485 C THR A 93 4.932 10.013 -3.899 1.00 0.26 C ATOM 1486 O THR A 93 5.811 9.153 -3.820 1.00 0.25 O ATOM 1487 CB THR A 93 4.700 12.251 -2.780 1.00 0.35 C ATOM 1488 OG1 THR A 93 6.108 12.520 -2.796 1.00 1.29 O ATOM 1489 CG2 THR A 93 4.058 13.026 -1.639 1.00 0.92 C ATOM 0 H THR A 93 6.171 10.207 -1.614 1.00 0.23 H new ATOM 0 HA THR A 93 3.378 10.585 -2.498 1.00 0.27 H new ATOM 0 HB THR A 93 4.249 12.574 -3.718 1.00 0.35 H new ATOM 0 HG1 THR A 93 6.594 11.738 -2.461 1.00 1.29 H new ATOM 0 HG21 THR A 93 4.253 14.091 -1.767 1.00 0.92 H new ATOM 0 HG22 THR A 93 2.982 12.852 -1.641 1.00 0.92 H new ATOM 0 HG23 THR A 93 4.478 12.692 -0.690 1.00 0.92 H new ATOM 1497 N LEU A 94 4.381 10.351 -5.050 1.00 0.34 N ATOM 1498 CA LEU A 94 4.847 9.756 -6.288 1.00 0.37 C ATOM 1499 C LEU A 94 5.906 10.639 -6.903 1.00 0.34 C ATOM 1500 O LEU A 94 5.788 11.864 -6.838 1.00 0.39 O ATOM 1501 CB LEU A 94 3.702 9.601 -7.291 1.00 0.54 C ATOM 1502 CG LEU A 94 2.788 8.401 -7.080 1.00 0.50 C ATOM 1503 CD1 LEU A 94 3.599 7.122 -7.160 1.00 0.88 C ATOM 1504 CD2 LEU A 94 2.072 8.493 -5.748 1.00 0.75 C ATOM 0 H LEU A 94 3.622 11.024 -5.154 1.00 0.34 H new ATOM 0 HA LEU A 94 5.253 8.771 -6.057 1.00 0.37 H new ATOM 0 HB2 LEU A 94 3.094 10.505 -7.261 1.00 0.54 H new ATOM 0 HB3 LEU A 94 4.128 9.536 -8.292 1.00 0.54 H new ATOM 0 HG LEU A 94 2.032 8.395 -7.865 1.00 0.50 H new ATOM 0 HD11 LEU A 94 2.943 6.265 -7.009 1.00 0.88 H new ATOM 0 HD12 LEU A 94 4.069 7.050 -8.141 1.00 0.88 H new ATOM 0 HD13 LEU A 94 4.369 7.130 -6.388 1.00 0.88 H new ATOM 0 HD21 LEU A 94 1.426 7.624 -5.622 1.00 0.75 H new ATOM 0 HD22 LEU A 94 2.805 8.520 -4.942 1.00 0.75 H new ATOM 0 HD23 LEU A 94 1.469 9.401 -5.721 1.00 0.75 H new ATOM 1516 N GLY A 95 6.947 10.011 -7.456 1.00 0.32 N ATOM 1517 CA GLY A 95 8.125 10.735 -7.927 1.00 0.34 C ATOM 1518 C GLY A 95 7.770 11.999 -8.684 1.00 0.46 C ATOM 1519 O GLY A 95 8.431 13.029 -8.537 1.00 0.88 O ATOM 0 H GLY A 95 6.995 9.001 -7.588 1.00 0.32 H new ATOM 0 HA2 GLY A 95 8.754 10.991 -7.074 1.00 0.34 H new ATOM 0 HA3 GLY A 95 8.713 10.083 -8.572 1.00 0.34 H new ATOM 1523 N ASN A 96 6.706 11.922 -9.470 1.00 0.57 N ATOM 1524 CA ASN A 96 6.140 13.096 -10.112 1.00 0.71 C ATOM 1525 C ASN A 96 4.612 13.060 -10.003 1.00 0.61 C ATOM 1526 O ASN A 96 3.903 13.126 -11.007 1.00 0.66 O ATOM 1527 CB ASN A 96 6.572 13.181 -11.581 1.00 0.98 C ATOM 1528 CG ASN A 96 6.370 14.570 -12.170 1.00 1.89 C ATOM 1529 OD1 ASN A 96 5.504 15.329 -11.736 1.00 2.72 O ATOM 1530 ND2 ASN A 96 7.172 14.911 -13.165 1.00 2.42 N ATOM 0 H ASN A 96 6.216 11.052 -9.678 1.00 0.57 H new ATOM 0 HA ASN A 96 6.513 13.985 -9.603 1.00 0.71 H new ATOM 0 HB2 ASN A 96 7.623 12.905 -11.664 1.00 0.98 H new ATOM 0 HB3 ASN A 96 6.005 12.456 -12.165 1.00 0.98 H new ATOM 0 HD21 ASN A 96 7.084 15.830 -13.599 1.00 2.42 H new ATOM 0 HD22 ASN A 96 7.879 14.255 -13.498 1.00 2.42 H new ATOM 1537 N ILE A 97 4.106 12.930 -8.773 1.00 0.55 N ATOM 1538 CA ILE A 97 2.663 13.001 -8.531 1.00 0.57 C ATOM 1539 C ILE A 97 2.173 14.399 -8.824 1.00 0.74 C ATOM 1540 O ILE A 97 1.057 14.588 -9.276 1.00 0.88 O ATOM 1541 CB ILE A 97 2.263 12.659 -7.064 1.00 0.54 C ATOM 1542 CG1 ILE A 97 0.727 12.671 -6.917 1.00 0.68 C ATOM 1543 CG2 ILE A 97 2.917 13.637 -6.080 1.00 0.60 C ATOM 1544 CD1 ILE A 97 0.073 11.366 -7.311 1.00 1.20 C ATOM 0 H ILE A 97 4.669 12.776 -7.936 1.00 0.55 H new ATOM 0 HA ILE A 97 2.208 12.259 -9.187 1.00 0.57 H new ATOM 0 HB ILE A 97 2.624 11.658 -6.827 1.00 0.54 H new ATOM 0 HG12 ILE A 97 0.471 12.899 -5.882 1.00 0.68 H new ATOM 0 HG13 ILE A 97 0.317 13.473 -7.531 1.00 0.68 H new ATOM 0 HG21 ILE A 97 2.624 13.379 -5.062 1.00 0.60 H new ATOM 0 HG22 ILE A 97 4.001 13.575 -6.172 1.00 0.60 H new ATOM 0 HG23 ILE A 97 2.591 14.652 -6.305 1.00 0.60 H new ATOM 0 HD11 ILE A 97 -1.006 11.447 -7.183 1.00 1.20 H new ATOM 0 HD12 ILE A 97 0.299 11.146 -8.354 1.00 1.20 H new ATOM 0 HD13 ILE A 97 0.454 10.563 -6.680 1.00 1.20 H new ATOM 1556 N HIS A 98 3.055 15.364 -8.612 1.00 0.85 N ATOM 1557 CA HIS A 98 2.692 16.775 -8.582 1.00 1.12 C ATOM 1558 C HIS A 98 2.276 17.310 -9.956 1.00 1.14 C ATOM 1559 O HIS A 98 2.033 18.503 -10.119 1.00 1.38 O ATOM 1560 CB HIS A 98 3.853 17.568 -7.985 1.00 1.38 C ATOM 1561 CG HIS A 98 5.082 17.638 -8.851 1.00 2.01 C ATOM 1562 ND1 HIS A 98 6.201 16.864 -8.632 1.00 2.88 N ATOM 1563 CD2 HIS A 98 5.369 18.406 -9.929 1.00 2.69 C ATOM 1564 CE1 HIS A 98 7.120 17.155 -9.532 1.00 3.63 C ATOM 1565 NE2 HIS A 98 6.640 18.086 -10.332 1.00 3.56 N ATOM 0 H HIS A 98 4.048 15.191 -8.455 1.00 0.85 H new ATOM 0 HA HIS A 98 1.810 16.894 -7.953 1.00 1.12 H new ATOM 0 HB2 HIS A 98 3.513 18.583 -7.779 1.00 1.38 H new ATOM 0 HB3 HIS A 98 4.125 17.122 -7.028 1.00 1.38 H new ATOM 0 HD2 HIS A 98 4.717 19.136 -10.387 1.00 2.69 H new ATOM 0 HE1 HIS A 98 8.100 16.706 -9.602 1.00 3.63 H new ATOM 0 HE2 HIS A 98 7.134 18.501 -11.122 1.00 3.56 H new ATOM 1574 N SER A 99 2.200 16.425 -10.934 1.00 0.99 N ATOM 1575 CA SER A 99 1.653 16.766 -12.234 1.00 1.16 C ATOM 1576 C SER A 99 0.169 16.392 -12.258 1.00 1.22 C ATOM 1577 O SER A 99 -0.506 16.520 -13.278 1.00 1.30 O ATOM 1578 CB SER A 99 2.419 16.021 -13.332 1.00 1.24 C ATOM 1579 OG SER A 99 2.020 16.439 -14.629 1.00 1.79 O ATOM 0 H SER A 99 2.513 15.458 -10.851 1.00 0.99 H new ATOM 0 HA SER A 99 1.756 17.836 -12.415 1.00 1.16 H new ATOM 0 HB2 SER A 99 3.489 16.191 -13.208 1.00 1.24 H new ATOM 0 HB3 SER A 99 2.252 14.949 -13.228 1.00 1.24 H new ATOM 0 HG SER A 99 1.061 16.639 -14.627 1.00 1.79 H new ATOM 1585 N TYR A 100 -0.306 15.921 -11.106 1.00 1.23 N ATOM 1586 CA TYR A 100 -1.678 15.455 -10.927 1.00 1.30 C ATOM 1587 C TYR A 100 -2.747 16.402 -11.481 1.00 1.17 C ATOM 1588 O TYR A 100 -2.843 17.566 -11.098 1.00 1.30 O ATOM 1589 CB TYR A 100 -1.952 15.158 -9.442 1.00 1.63 C ATOM 1590 CG TYR A 100 -1.602 16.260 -8.438 1.00 2.74 C ATOM 1591 CD1 TYR A 100 -2.319 17.449 -8.370 1.00 3.75 C ATOM 1592 CD2 TYR A 100 -0.558 16.085 -7.540 1.00 2.85 C ATOM 1593 CE1 TYR A 100 -2.000 18.428 -7.444 1.00 4.83 C ATOM 1594 CE2 TYR A 100 -0.235 17.054 -6.611 1.00 3.91 C ATOM 1595 CZ TYR A 100 -0.957 18.225 -6.568 1.00 4.89 C ATOM 1596 OH TYR A 100 -0.633 19.192 -5.643 1.00 5.98 O ATOM 0 H TYR A 100 0.260 15.852 -10.260 1.00 1.23 H new ATOM 0 HA TYR A 100 -1.756 14.542 -11.517 1.00 1.30 H new ATOM 0 HB2 TYR A 100 -3.011 14.924 -9.333 1.00 1.63 H new ATOM 0 HB3 TYR A 100 -1.397 14.261 -9.168 1.00 1.63 H new ATOM 0 HD1 TYR A 100 -3.140 17.612 -9.052 1.00 3.75 H new ATOM 0 HD2 TYR A 100 0.015 15.170 -7.569 1.00 2.85 H new ATOM 0 HE1 TYR A 100 -2.567 19.347 -7.409 1.00 4.83 H new ATOM 0 HE2 TYR A 100 0.580 16.894 -5.921 1.00 3.91 H new ATOM 0 HH TYR A 100 0.126 18.887 -5.103 1.00 5.98 H new ATOM 1606 N PRO A 101 -3.531 15.909 -12.450 1.00 1.09 N ATOM 1607 CA PRO A 101 -4.759 16.562 -12.876 1.00 1.04 C ATOM 1608 C PRO A 101 -5.926 16.237 -11.940 1.00 0.89 C ATOM 1609 O PRO A 101 -6.600 17.125 -11.426 1.00 0.94 O ATOM 1610 CB PRO A 101 -5.024 15.994 -14.276 1.00 1.19 C ATOM 1611 CG PRO A 101 -4.046 14.875 -14.486 1.00 1.28 C ATOM 1612 CD PRO A 101 -3.269 14.683 -13.209 1.00 1.21 C ATOM 0 HA PRO A 101 -4.663 17.648 -12.867 1.00 1.04 H new ATOM 0 HB2 PRO A 101 -6.049 15.631 -14.358 1.00 1.19 H new ATOM 0 HB3 PRO A 101 -4.897 16.765 -15.036 1.00 1.19 H new ATOM 0 HG2 PRO A 101 -4.570 13.957 -14.754 1.00 1.28 H new ATOM 0 HG3 PRO A 101 -3.372 15.109 -15.310 1.00 1.28 H new ATOM 0 HD2 PRO A 101 -3.603 13.798 -12.667 1.00 1.21 H new ATOM 0 HD3 PRO A 101 -2.204 14.554 -13.404 1.00 1.21 H new ATOM 1620 N GLN A 102 -6.127 14.941 -11.697 1.00 0.82 N ATOM 1621 CA GLN A 102 -7.260 14.463 -10.910 1.00 0.74 C ATOM 1622 C GLN A 102 -6.885 14.293 -9.443 1.00 0.63 C ATOM 1623 O GLN A 102 -7.727 14.429 -8.555 1.00 0.59 O ATOM 1624 CB GLN A 102 -7.758 13.125 -11.463 1.00 0.83 C ATOM 1625 CG GLN A 102 -8.865 12.492 -10.635 1.00 0.98 C ATOM 1626 CD GLN A 102 -9.170 11.074 -11.072 1.00 1.30 C ATOM 1627 OE1 GLN A 102 -8.554 10.122 -10.593 1.00 1.95 O ATOM 1628 NE2 GLN A 102 -10.111 10.918 -11.983 1.00 1.73 N ATOM 0 H GLN A 102 -5.514 14.200 -12.038 1.00 0.82 H new ATOM 0 HA GLN A 102 -8.051 15.210 -10.981 1.00 0.74 H new ATOM 0 HB2 GLN A 102 -8.119 13.275 -12.481 1.00 0.83 H new ATOM 0 HB3 GLN A 102 -6.919 12.432 -11.521 1.00 0.83 H new ATOM 0 HG2 GLN A 102 -8.575 12.492 -9.584 1.00 0.98 H new ATOM 0 HG3 GLN A 102 -9.768 13.097 -10.716 1.00 0.98 H new ATOM 0 HE21 GLN A 102 -10.599 11.732 -12.356 1.00 1.73 H new ATOM 0 HE22 GLN A 102 -10.350 9.983 -12.314 1.00 1.73 H new ATOM 1637 N ILE A 103 -5.623 13.980 -9.194 1.00 0.60 N ATOM 1638 CA ILE A 103 -5.150 13.735 -7.838 1.00 0.51 C ATOM 1639 C ILE A 103 -5.252 15.019 -7.026 1.00 0.52 C ATOM 1640 O ILE A 103 -4.768 16.071 -7.435 1.00 0.65 O ATOM 1641 CB ILE A 103 -3.680 13.220 -7.805 1.00 0.54 C ATOM 1642 CG1 ILE A 103 -3.515 11.925 -8.606 1.00 0.63 C ATOM 1643 CG2 ILE A 103 -3.184 13.016 -6.376 1.00 0.43 C ATOM 1644 CD1 ILE A 103 -3.468 12.130 -10.105 1.00 1.10 C ATOM 0 H ILE A 103 -4.906 13.889 -9.914 1.00 0.60 H new ATOM 0 HA ILE A 103 -5.781 12.957 -7.408 1.00 0.51 H new ATOM 0 HB ILE A 103 -3.071 13.994 -8.273 1.00 0.54 H new ATOM 0 HG12 ILE A 103 -2.598 11.428 -8.289 1.00 0.63 H new ATOM 0 HG13 ILE A 103 -4.340 11.254 -8.367 1.00 0.63 H new ATOM 0 HG21 ILE A 103 -2.155 12.656 -6.396 1.00 0.43 H new ATOM 0 HG22 ILE A 103 -3.227 13.963 -5.837 1.00 0.43 H new ATOM 0 HG23 ILE A 103 -3.815 12.283 -5.873 1.00 0.43 H new ATOM 0 HD11 ILE A 103 -3.350 11.166 -10.600 1.00 1.10 H new ATOM 0 HD12 ILE A 103 -4.395 12.598 -10.438 1.00 1.10 H new ATOM 0 HD13 ILE A 103 -2.626 12.774 -10.358 1.00 1.10 H new ATOM 1656 N GLN A 104 -5.929 14.924 -5.902 1.00 0.45 N ATOM 1657 CA GLN A 104 -6.088 16.047 -4.995 1.00 0.48 C ATOM 1658 C GLN A 104 -4.891 16.079 -4.061 1.00 0.50 C ATOM 1659 O GLN A 104 -4.411 17.138 -3.664 1.00 0.63 O ATOM 1660 CB GLN A 104 -7.382 15.866 -4.201 1.00 0.46 C ATOM 1661 CG GLN A 104 -8.491 15.239 -5.028 1.00 0.43 C ATOM 1662 CD GLN A 104 -9.244 16.251 -5.868 1.00 0.52 C ATOM 1663 OE1 GLN A 104 -10.228 16.829 -5.420 1.00 1.40 O ATOM 1664 NE2 GLN A 104 -8.799 16.466 -7.093 1.00 0.98 N ATOM 0 H GLN A 104 -6.386 14.068 -5.589 1.00 0.45 H new ATOM 0 HA GLN A 104 -6.143 16.986 -5.545 1.00 0.48 H new ATOM 0 HB2 GLN A 104 -7.185 15.241 -3.330 1.00 0.46 H new ATOM 0 HB3 GLN A 104 -7.714 16.835 -3.829 1.00 0.46 H new ATOM 0 HG2 GLN A 104 -8.064 14.478 -5.681 1.00 0.43 H new ATOM 0 HG3 GLN A 104 -9.191 14.733 -4.363 1.00 0.43 H new ATOM 0 HE21 GLN A 104 -7.977 15.967 -7.432 1.00 0.98 H new ATOM 0 HE22 GLN A 104 -9.278 17.132 -7.700 1.00 0.98 H new ATOM 1673 N SER A 105 -4.412 14.883 -3.754 1.00 0.40 N ATOM 1674 CA SER A 105 -3.249 14.680 -2.911 1.00 0.41 C ATOM 1675 C SER A 105 -2.928 13.193 -2.859 1.00 0.36 C ATOM 1676 O SER A 105 -3.831 12.358 -2.978 1.00 0.39 O ATOM 1677 CB SER A 105 -3.505 15.219 -1.500 1.00 0.48 C ATOM 1678 OG SER A 105 -4.786 14.832 -1.027 1.00 1.13 O ATOM 0 H SER A 105 -4.828 14.015 -4.090 1.00 0.40 H new ATOM 0 HA SER A 105 -2.401 15.223 -3.329 1.00 0.41 H new ATOM 0 HB2 SER A 105 -2.737 14.848 -0.821 1.00 0.48 H new ATOM 0 HB3 SER A 105 -3.429 16.306 -1.504 1.00 0.48 H new ATOM 0 HG SER A 105 -4.923 15.188 -0.124 1.00 1.13 H new ATOM 1684 N TYR A 106 -1.656 12.858 -2.727 1.00 0.35 N ATOM 1685 CA TYR A 106 -1.264 11.472 -2.552 1.00 0.34 C ATOM 1686 C TYR A 106 -0.134 11.384 -1.542 1.00 0.36 C ATOM 1687 O TYR A 106 0.994 11.791 -1.821 1.00 0.40 O ATOM 1688 CB TYR A 106 -0.839 10.816 -3.876 1.00 0.37 C ATOM 1689 CG TYR A 106 -0.847 9.310 -3.780 1.00 0.38 C ATOM 1690 CD1 TYR A 106 0.254 8.629 -3.286 1.00 0.41 C ATOM 1691 CD2 TYR A 106 -1.966 8.574 -4.141 1.00 0.39 C ATOM 1692 CE1 TYR A 106 0.246 7.254 -3.158 1.00 0.45 C ATOM 1693 CE2 TYR A 106 -1.983 7.198 -4.023 1.00 0.43 C ATOM 1694 CZ TYR A 106 -0.875 6.542 -3.531 1.00 0.46 C ATOM 1695 OH TYR A 106 -0.889 5.171 -3.410 1.00 0.52 O ATOM 0 H TYR A 106 -0.882 13.523 -2.738 1.00 0.35 H new ATOM 0 HA TYR A 106 -2.134 10.927 -2.185 1.00 0.34 H new ATOM 0 HB2 TYR A 106 -1.512 11.134 -4.672 1.00 0.37 H new ATOM 0 HB3 TYR A 106 0.160 11.158 -4.148 1.00 0.37 H new ATOM 0 HD1 TYR A 106 1.134 9.183 -2.996 1.00 0.41 H new ATOM 0 HD2 TYR A 106 -2.838 9.085 -4.521 1.00 0.39 H new ATOM 0 HE1 TYR A 106 1.112 6.739 -2.768 1.00 0.45 H new ATOM 0 HE2 TYR A 106 -2.860 6.639 -4.315 1.00 0.43 H new ATOM 0 HH TYR A 106 -1.753 4.824 -3.715 1.00 0.52 H new ATOM 1705 N ASP A 107 -0.447 10.844 -0.373 1.00 0.34 N ATOM 1706 CA ASP A 107 0.525 10.725 0.704 1.00 0.36 C ATOM 1707 C ASP A 107 0.317 9.425 1.457 1.00 0.38 C ATOM 1708 O ASP A 107 -0.771 9.145 1.946 1.00 0.46 O ATOM 1709 CB ASP A 107 0.423 11.907 1.676 1.00 0.48 C ATOM 1710 CG ASP A 107 1.032 13.185 1.124 1.00 1.27 C ATOM 1711 OD1 ASP A 107 2.261 13.370 1.238 1.00 2.25 O ATOM 1712 OD2 ASP A 107 0.281 14.004 0.551 1.00 1.31 O ATOM 0 H ASP A 107 -1.372 10.479 -0.146 1.00 0.34 H new ATOM 0 HA ASP A 107 1.520 10.730 0.258 1.00 0.36 H new ATOM 0 HB2 ASP A 107 -0.626 12.084 1.914 1.00 0.48 H new ATOM 0 HB3 ASP A 107 0.922 11.647 2.609 1.00 0.48 H new ATOM 1717 N VAL A 108 1.356 8.624 1.539 1.00 0.38 N ATOM 1718 CA VAL A 108 1.279 7.347 2.229 1.00 0.44 C ATOM 1719 C VAL A 108 2.464 7.168 3.166 1.00 0.47 C ATOM 1720 O VAL A 108 3.605 7.320 2.755 1.00 0.58 O ATOM 1721 CB VAL A 108 1.215 6.166 1.220 1.00 0.48 C ATOM 1722 CG1 VAL A 108 1.729 6.586 -0.143 1.00 0.68 C ATOM 1723 CG2 VAL A 108 1.999 4.964 1.717 1.00 0.70 C ATOM 0 H VAL A 108 2.270 8.832 1.136 1.00 0.38 H new ATOM 0 HA VAL A 108 0.362 7.346 2.818 1.00 0.44 H new ATOM 0 HB VAL A 108 0.167 5.879 1.130 1.00 0.48 H new ATOM 0 HG11 VAL A 108 1.673 5.741 -0.829 1.00 0.68 H new ATOM 0 HG12 VAL A 108 1.119 7.405 -0.525 1.00 0.68 H new ATOM 0 HG13 VAL A 108 2.765 6.915 -0.056 1.00 0.68 H new ATOM 0 HG21 VAL A 108 1.932 4.158 0.986 1.00 0.70 H new ATOM 0 HG22 VAL A 108 3.044 5.243 1.855 1.00 0.70 H new ATOM 0 HG23 VAL A 108 1.585 4.627 2.667 1.00 0.70 H new ATOM 1733 N GLN A 109 2.203 6.854 4.422 1.00 0.44 N ATOM 1734 CA GLN A 109 3.285 6.570 5.344 1.00 0.50 C ATOM 1735 C GLN A 109 2.997 5.312 6.136 1.00 0.30 C ATOM 1736 O GLN A 109 1.841 4.957 6.372 1.00 0.29 O ATOM 1737 CB GLN A 109 3.586 7.746 6.280 1.00 0.85 C ATOM 1738 CG GLN A 109 2.426 8.231 7.124 1.00 0.92 C ATOM 1739 CD GLN A 109 2.904 8.890 8.401 1.00 2.08 C ATOM 1740 OE1 GLN A 109 2.981 8.255 9.441 1.00 2.86 O ATOM 1741 NE2 GLN A 109 3.284 10.155 8.321 1.00 2.81 N ATOM 0 H GLN A 109 1.267 6.790 4.821 1.00 0.44 H new ATOM 0 HA GLN A 109 4.180 6.410 4.742 1.00 0.50 H new ATOM 0 HB2 GLN A 109 4.399 7.457 6.946 1.00 0.85 H new ATOM 0 HB3 GLN A 109 3.947 8.581 5.679 1.00 0.85 H new ATOM 0 HG2 GLN A 109 1.828 8.939 6.550 1.00 0.92 H new ATOM 0 HG3 GLN A 109 1.777 7.390 7.368 1.00 0.92 H new ATOM 0 HE21 GLN A 109 3.206 10.656 7.436 1.00 2.81 H new ATOM 0 HE22 GLN A 109 3.655 10.629 9.144 1.00 2.81 H new ATOM 1750 N VAL A 110 4.061 4.632 6.517 1.00 0.33 N ATOM 1751 CA VAL A 110 3.953 3.361 7.204 1.00 0.27 C ATOM 1752 C VAL A 110 3.885 3.589 8.714 1.00 0.30 C ATOM 1753 O VAL A 110 4.679 4.348 9.276 1.00 0.41 O ATOM 1754 CB VAL A 110 5.156 2.445 6.851 1.00 0.37 C ATOM 1755 CG1 VAL A 110 6.470 3.041 7.312 1.00 0.76 C ATOM 1756 CG2 VAL A 110 4.990 1.053 7.426 1.00 0.77 C ATOM 0 H VAL A 110 5.020 4.943 6.360 1.00 0.33 H new ATOM 0 HA VAL A 110 3.038 2.865 6.879 1.00 0.27 H new ATOM 0 HB VAL A 110 5.176 2.368 5.764 1.00 0.37 H new ATOM 0 HG11 VAL A 110 7.287 2.370 7.046 1.00 0.76 H new ATOM 0 HG12 VAL A 110 6.621 4.006 6.829 1.00 0.76 H new ATOM 0 HG13 VAL A 110 6.449 3.176 8.393 1.00 0.76 H new ATOM 0 HG21 VAL A 110 5.852 0.443 7.157 1.00 0.77 H new ATOM 0 HG22 VAL A 110 4.914 1.114 8.512 1.00 0.77 H new ATOM 0 HG23 VAL A 110 4.084 0.599 7.024 1.00 0.77 H new ATOM 1766 N ALA A 111 2.919 2.938 9.355 1.00 0.29 N ATOM 1767 CA ALA A 111 2.724 3.057 10.792 1.00 0.36 C ATOM 1768 C ALA A 111 3.886 2.421 11.531 1.00 0.37 C ATOM 1769 O ALA A 111 4.324 2.914 12.572 1.00 0.44 O ATOM 1770 CB ALA A 111 1.411 2.413 11.207 1.00 0.42 C ATOM 0 H ALA A 111 2.254 2.317 8.894 1.00 0.29 H new ATOM 0 HA ALA A 111 2.682 4.115 11.052 1.00 0.36 H new ATOM 0 HB1 ALA A 111 1.282 2.512 12.285 1.00 0.42 H new ATOM 0 HB2 ALA A 111 0.585 2.908 10.696 1.00 0.42 H new ATOM 0 HB3 ALA A 111 1.423 1.357 10.938 1.00 0.42 H new ATOM 1776 N ASP A 112 4.364 1.309 10.995 1.00 0.35 N ATOM 1777 CA ASP A 112 5.578 0.677 11.497 1.00 0.46 C ATOM 1778 C ASP A 112 6.168 -0.242 10.441 1.00 0.37 C ATOM 1779 O ASP A 112 5.450 -0.980 9.768 1.00 0.35 O ATOM 1780 CB ASP A 112 5.330 -0.077 12.810 1.00 0.67 C ATOM 1781 CG ASP A 112 4.210 -1.092 12.728 1.00 1.36 C ATOM 1782 OD1 ASP A 112 4.456 -2.208 12.215 1.00 1.88 O ATOM 1783 OD2 ASP A 112 3.078 -0.769 13.134 1.00 2.20 O ATOM 0 H ASP A 112 3.930 0.823 10.210 1.00 0.35 H new ATOM 0 HA ASP A 112 6.299 1.465 11.715 1.00 0.46 H new ATOM 0 HB2 ASP A 112 6.248 -0.585 13.105 1.00 0.67 H new ATOM 0 HB3 ASP A 112 5.098 0.644 13.594 1.00 0.67 H new ATOM 1788 N THR A 113 7.473 -0.137 10.260 1.00 0.37 N ATOM 1789 CA THR A 113 8.180 -0.888 9.235 1.00 0.36 C ATOM 1790 C THR A 113 9.476 -1.474 9.815 1.00 0.44 C ATOM 1791 O THR A 113 10.273 -0.749 10.413 1.00 0.55 O ATOM 1792 CB THR A 113 8.475 0.025 8.016 1.00 0.37 C ATOM 1793 OG1 THR A 113 9.171 -0.706 6.998 1.00 0.44 O ATOM 1794 CG2 THR A 113 9.300 1.247 8.427 1.00 0.51 C ATOM 0 H THR A 113 8.073 0.470 10.818 1.00 0.37 H new ATOM 0 HA THR A 113 7.555 -1.714 8.896 1.00 0.36 H new ATOM 0 HB THR A 113 7.519 0.369 7.622 1.00 0.37 H new ATOM 0 HG1 THR A 113 9.214 -0.168 6.180 1.00 0.44 H new ATOM 0 HG21 THR A 113 9.491 1.868 7.552 1.00 0.51 H new ATOM 0 HG22 THR A 113 8.749 1.825 9.169 1.00 0.51 H new ATOM 0 HG23 THR A 113 10.248 0.919 8.853 1.00 0.51 H new ATOM 1802 N ASP A 114 9.688 -2.776 9.662 1.00 0.43 N ATOM 1803 CA ASP A 114 10.855 -3.421 10.268 1.00 0.57 C ATOM 1804 C ASP A 114 11.658 -4.243 9.267 1.00 0.64 C ATOM 1805 O ASP A 114 11.180 -4.591 8.193 1.00 0.61 O ATOM 1806 CB ASP A 114 10.434 -4.316 11.430 1.00 0.60 C ATOM 1807 CG ASP A 114 10.200 -3.548 12.712 1.00 1.24 C ATOM 1808 OD1 ASP A 114 11.189 -3.096 13.322 1.00 1.17 O ATOM 1809 OD2 ASP A 114 9.034 -3.403 13.129 1.00 2.10 O ATOM 0 H ASP A 114 9.080 -3.401 9.133 1.00 0.43 H new ATOM 0 HA ASP A 114 11.495 -2.617 10.631 1.00 0.57 H new ATOM 0 HB2 ASP A 114 9.522 -4.848 11.160 1.00 0.60 H new ATOM 0 HB3 ASP A 114 11.204 -5.069 11.599 1.00 0.60 H new ATOM 1814 N TYR A 115 12.898 -4.536 9.658 1.00 0.84 N ATOM 1815 CA TYR A 115 13.853 -5.271 8.826 1.00 0.99 C ATOM 1816 C TYR A 115 13.518 -6.761 8.742 1.00 0.90 C ATOM 1817 O TYR A 115 13.921 -7.443 7.800 1.00 1.07 O ATOM 1818 CB TYR A 115 15.272 -5.093 9.387 1.00 1.25 C ATOM 1819 CG TYR A 115 15.393 -5.443 10.860 1.00 1.46 C ATOM 1820 CD1 TYR A 115 15.095 -4.504 11.840 1.00 1.77 C ATOM 1821 CD2 TYR A 115 15.794 -6.711 11.269 1.00 1.67 C ATOM 1822 CE1 TYR A 115 15.189 -4.816 13.181 1.00 2.16 C ATOM 1823 CE2 TYR A 115 15.893 -7.030 12.612 1.00 2.05 C ATOM 1824 CZ TYR A 115 15.589 -6.078 13.563 1.00 2.26 C ATOM 1825 OH TYR A 115 15.675 -6.388 14.901 1.00 2.75 O ATOM 0 H TYR A 115 13.272 -4.268 10.568 1.00 0.84 H new ATOM 0 HA TYR A 115 13.793 -4.862 7.818 1.00 0.99 H new ATOM 0 HB2 TYR A 115 15.960 -5.717 8.816 1.00 1.25 H new ATOM 0 HB3 TYR A 115 15.584 -4.059 9.241 1.00 1.25 H new ATOM 0 HD1 TYR A 115 14.784 -3.512 11.547 1.00 1.77 H new ATOM 0 HD2 TYR A 115 16.032 -7.458 10.526 1.00 1.67 H new ATOM 0 HE1 TYR A 115 14.950 -4.074 13.928 1.00 2.16 H new ATOM 0 HE2 TYR A 115 16.206 -8.018 12.914 1.00 2.05 H new ATOM 0 HH TYR A 115 15.970 -7.317 15.003 1.00 2.75 H new ATOM 1835 N ASP A 116 12.821 -7.267 9.748 1.00 0.77 N ATOM 1836 CA ASP A 116 12.442 -8.678 9.788 1.00 0.74 C ATOM 1837 C ASP A 116 10.951 -8.807 10.065 1.00 0.64 C ATOM 1838 O ASP A 116 10.255 -9.635 9.475 1.00 0.66 O ATOM 1839 CB ASP A 116 13.256 -9.405 10.860 1.00 0.82 C ATOM 1840 CG ASP A 116 12.816 -10.838 11.066 1.00 1.03 C ATOM 1841 OD1 ASP A 116 13.041 -11.665 10.155 1.00 1.46 O ATOM 1842 OD2 ASP A 116 12.234 -11.139 12.127 1.00 1.40 O ATOM 0 H ASP A 116 12.504 -6.723 10.551 1.00 0.77 H new ATOM 0 HA ASP A 116 12.655 -9.136 8.822 1.00 0.74 H new ATOM 0 HB2 ASP A 116 14.309 -9.391 10.580 1.00 0.82 H new ATOM 0 HB3 ASP A 116 13.169 -8.865 11.803 1.00 0.82 H new ATOM 1847 N GLN A 117 10.482 -7.973 10.979 1.00 0.59 N ATOM 1848 CA GLN A 117 9.062 -7.797 11.237 1.00 0.50 C ATOM 1849 C GLN A 117 8.367 -7.194 10.021 1.00 0.37 C ATOM 1850 O GLN A 117 9.000 -6.897 9.007 1.00 0.39 O ATOM 1851 CB GLN A 117 8.824 -6.937 12.479 1.00 0.56 C ATOM 1852 CG GLN A 117 9.143 -7.654 13.778 1.00 1.22 C ATOM 1853 CD GLN A 117 8.229 -8.836 14.025 1.00 1.68 C ATOM 1854 OE1 GLN A 117 7.072 -8.839 13.606 1.00 2.16 O ATOM 1855 NE2 GLN A 117 8.740 -9.852 14.702 1.00 2.51 N ATOM 0 H GLN A 117 11.081 -7.394 11.568 1.00 0.59 H new ATOM 0 HA GLN A 117 8.633 -8.780 11.428 1.00 0.50 H new ATOM 0 HB2 GLN A 117 9.434 -6.036 12.410 1.00 0.56 H new ATOM 0 HB3 GLN A 117 7.782 -6.616 12.496 1.00 0.56 H new ATOM 0 HG2 GLN A 117 10.178 -7.997 13.756 1.00 1.22 H new ATOM 0 HG3 GLN A 117 9.057 -6.952 14.608 1.00 1.22 H new ATOM 0 HE21 GLN A 117 9.704 -9.811 15.033 1.00 2.51 H new ATOM 0 HE22 GLN A 117 8.170 -10.676 14.893 1.00 2.51 H new ATOM 1864 N PHE A 118 7.069 -7.006 10.130 1.00 0.30 N ATOM 1865 CA PHE A 118 6.245 -6.645 8.990 1.00 0.25 C ATOM 1866 C PHE A 118 6.011 -5.141 8.970 1.00 0.26 C ATOM 1867 O PHE A 118 6.505 -4.417 9.837 1.00 0.40 O ATOM 1868 CB PHE A 118 4.894 -7.356 9.091 1.00 0.31 C ATOM 1869 CG PHE A 118 4.025 -6.875 10.227 1.00 0.30 C ATOM 1870 CD1 PHE A 118 4.523 -6.749 11.517 1.00 0.36 C ATOM 1871 CD2 PHE A 118 2.710 -6.532 9.991 1.00 0.32 C ATOM 1872 CE1 PHE A 118 3.722 -6.295 12.541 1.00 0.41 C ATOM 1873 CE2 PHE A 118 1.903 -6.072 11.013 1.00 0.38 C ATOM 1874 CZ PHE A 118 2.410 -5.954 12.290 1.00 0.42 C ATOM 0 H PHE A 118 6.555 -7.098 11.006 1.00 0.30 H new ATOM 0 HA PHE A 118 6.757 -6.945 8.076 1.00 0.25 H new ATOM 0 HB2 PHE A 118 4.354 -7.221 8.154 1.00 0.31 H new ATOM 0 HB3 PHE A 118 5.067 -8.426 9.209 1.00 0.31 H new ATOM 0 HD1 PHE A 118 5.551 -7.010 11.720 1.00 0.36 H new ATOM 0 HD2 PHE A 118 2.306 -6.624 8.994 1.00 0.32 H new ATOM 0 HE1 PHE A 118 4.121 -6.206 13.540 1.00 0.41 H new ATOM 0 HE2 PHE A 118 0.876 -5.805 10.812 1.00 0.38 H new ATOM 0 HZ PHE A 118 1.781 -5.595 13.091 1.00 0.42 H new ATOM 1884 N ALA A 119 5.274 -4.675 7.974 1.00 0.23 N ATOM 1885 CA ALA A 119 5.065 -3.247 7.802 1.00 0.23 C ATOM 1886 C ALA A 119 3.618 -2.924 7.460 1.00 0.21 C ATOM 1887 O ALA A 119 3.039 -3.482 6.524 1.00 0.28 O ATOM 1888 CB ALA A 119 6.004 -2.691 6.742 1.00 0.25 C ATOM 0 H ALA A 119 4.814 -5.260 7.277 1.00 0.23 H new ATOM 0 HA ALA A 119 5.290 -2.767 8.754 1.00 0.23 H new ATOM 0 HB1 ALA A 119 5.832 -1.621 6.628 1.00 0.25 H new ATOM 0 HB2 ALA A 119 7.037 -2.862 7.045 1.00 0.25 H new ATOM 0 HB3 ALA A 119 5.817 -3.191 5.792 1.00 0.25 H new ATOM 1894 N MET A 120 3.053 -2.012 8.228 1.00 0.19 N ATOM 1895 CA MET A 120 1.669 -1.591 8.059 1.00 0.21 C ATOM 1896 C MET A 120 1.611 -0.174 7.506 1.00 0.22 C ATOM 1897 O MET A 120 1.984 0.772 8.192 1.00 0.25 O ATOM 1898 CB MET A 120 0.948 -1.644 9.403 1.00 0.27 C ATOM 1899 CG MET A 120 0.484 -3.038 9.811 1.00 0.48 C ATOM 1900 SD MET A 120 -0.650 -3.002 11.214 1.00 0.63 S ATOM 1901 CE MET A 120 0.281 -2.003 12.374 1.00 1.47 C ATOM 0 H MET A 120 3.539 -1.539 8.990 1.00 0.19 H new ATOM 0 HA MET A 120 1.181 -2.265 7.355 1.00 0.21 H new ATOM 0 HB2 MET A 120 1.613 -1.255 10.174 1.00 0.27 H new ATOM 0 HB3 MET A 120 0.083 -0.982 9.364 1.00 0.27 H new ATOM 0 HG2 MET A 120 -0.006 -3.517 8.964 1.00 0.48 H new ATOM 0 HG3 MET A 120 1.352 -3.647 10.064 1.00 0.48 H new ATOM 0 HE1 MET A 120 -0.230 -1.992 13.337 1.00 1.47 H new ATOM 0 HE2 MET A 120 1.279 -2.424 12.498 1.00 1.47 H new ATOM 0 HE3 MET A 120 0.362 -0.985 11.994 1.00 1.47 H new ATOM 1911 N VAL A 121 1.139 -0.015 6.277 1.00 0.25 N ATOM 1912 CA VAL A 121 1.198 1.286 5.618 1.00 0.26 C ATOM 1913 C VAL A 121 -0.192 1.855 5.354 1.00 0.29 C ATOM 1914 O VAL A 121 -1.093 1.133 4.945 1.00 0.39 O ATOM 1915 CB VAL A 121 1.930 1.222 4.265 1.00 0.28 C ATOM 1916 CG1 VAL A 121 2.478 2.587 3.921 1.00 0.34 C ATOM 1917 CG2 VAL A 121 3.049 0.200 4.267 1.00 0.28 C ATOM 0 H VAL A 121 0.716 -0.758 5.721 1.00 0.25 H new ATOM 0 HA VAL A 121 1.745 1.929 6.307 1.00 0.26 H new ATOM 0 HB VAL A 121 1.207 0.909 3.511 1.00 0.28 H new ATOM 0 HG11 VAL A 121 2.996 2.540 2.963 1.00 0.34 H new ATOM 0 HG12 VAL A 121 1.658 3.302 3.856 1.00 0.34 H new ATOM 0 HG13 VAL A 121 3.176 2.905 4.696 1.00 0.34 H new ATOM 0 HG21 VAL A 121 3.536 0.191 3.292 1.00 0.28 H new ATOM 0 HG22 VAL A 121 3.778 0.460 5.034 1.00 0.28 H new ATOM 0 HG23 VAL A 121 2.639 -0.788 4.477 1.00 0.28 H new ATOM 1927 N PHE A 122 -0.347 3.152 5.576 1.00 0.25 N ATOM 1928 CA PHE A 122 -1.571 3.859 5.223 1.00 0.27 C ATOM 1929 C PHE A 122 -1.340 4.644 3.931 1.00 0.27 C ATOM 1930 O PHE A 122 -0.464 5.505 3.869 1.00 0.26 O ATOM 1931 CB PHE A 122 -1.998 4.782 6.387 1.00 0.29 C ATOM 1932 CG PHE A 122 -3.043 5.831 6.055 1.00 0.37 C ATOM 1933 CD1 PHE A 122 -2.721 6.924 5.259 1.00 0.87 C ATOM 1934 CD2 PHE A 122 -4.341 5.735 6.544 1.00 0.33 C ATOM 1935 CE1 PHE A 122 -3.660 7.886 4.957 1.00 0.99 C ATOM 1936 CE2 PHE A 122 -5.282 6.700 6.240 1.00 0.38 C ATOM 1937 CZ PHE A 122 -4.941 7.772 5.446 1.00 0.63 C ATOM 0 H PHE A 122 0.367 3.742 6.003 1.00 0.25 H new ATOM 0 HA PHE A 122 -2.381 3.150 5.052 1.00 0.27 H new ATOM 0 HB2 PHE A 122 -2.381 4.160 7.196 1.00 0.29 H new ATOM 0 HB3 PHE A 122 -1.111 5.289 6.767 1.00 0.29 H new ATOM 0 HD1 PHE A 122 -1.718 7.021 4.871 1.00 0.87 H new ATOM 0 HD2 PHE A 122 -4.617 4.898 7.168 1.00 0.33 H new ATOM 0 HE1 PHE A 122 -3.391 8.729 4.337 1.00 0.99 H new ATOM 0 HE2 PHE A 122 -6.287 6.613 6.626 1.00 0.38 H new ATOM 0 HZ PHE A 122 -5.679 8.523 5.207 1.00 0.63 H new ATOM 1947 N PHE A 123 -2.110 4.320 2.902 1.00 0.34 N ATOM 1948 CA PHE A 123 -2.019 5.000 1.610 1.00 0.34 C ATOM 1949 C PHE A 123 -3.196 5.958 1.432 1.00 0.35 C ATOM 1950 O PHE A 123 -4.350 5.534 1.441 1.00 0.38 O ATOM 1951 CB PHE A 123 -2.031 3.980 0.465 1.00 0.37 C ATOM 1952 CG PHE A 123 -0.746 3.206 0.272 1.00 0.37 C ATOM 1953 CD1 PHE A 123 -0.215 2.408 1.280 1.00 0.32 C ATOM 1954 CD2 PHE A 123 -0.081 3.264 -0.943 1.00 0.45 C ATOM 1955 CE1 PHE A 123 0.954 1.689 1.072 1.00 0.33 C ATOM 1956 CE2 PHE A 123 1.085 2.552 -1.151 1.00 0.47 C ATOM 1957 CZ PHE A 123 1.603 1.764 -0.144 1.00 0.41 C ATOM 0 H PHE A 123 -2.814 3.582 2.935 1.00 0.34 H new ATOM 0 HA PHE A 123 -1.084 5.560 1.588 1.00 0.34 H new ATOM 0 HB2 PHE A 123 -2.840 3.271 0.642 1.00 0.37 H new ATOM 0 HB3 PHE A 123 -2.263 4.503 -0.463 1.00 0.37 H new ATOM 0 HD1 PHE A 123 -0.717 2.347 2.234 1.00 0.32 H new ATOM 0 HD2 PHE A 123 -0.480 3.875 -1.739 1.00 0.45 H new ATOM 0 HE1 PHE A 123 1.356 1.071 1.861 1.00 0.33 H new ATOM 0 HE2 PHE A 123 1.591 2.613 -2.103 1.00 0.47 H new ATOM 0 HZ PHE A 123 2.514 1.207 -0.307 1.00 0.41 H new ATOM 1967 N GLN A 124 -2.896 7.240 1.277 1.00 0.36 N ATOM 1968 CA GLN A 124 -3.923 8.248 1.022 1.00 0.39 C ATOM 1969 C GLN A 124 -3.952 8.604 -0.459 1.00 0.34 C ATOM 1970 O GLN A 124 -2.928 8.981 -1.036 1.00 0.33 O ATOM 1971 CB GLN A 124 -3.662 9.509 1.859 1.00 0.45 C ATOM 1972 CG GLN A 124 -4.433 10.743 1.400 1.00 0.67 C ATOM 1973 CD GLN A 124 -5.911 10.708 1.747 1.00 0.82 C ATOM 1974 OE1 GLN A 124 -6.524 9.647 1.842 1.00 1.54 O ATOM 1975 NE2 GLN A 124 -6.495 11.883 1.923 1.00 1.57 N ATOM 0 H GLN A 124 -1.947 7.610 1.323 1.00 0.36 H new ATOM 0 HA GLN A 124 -4.890 7.835 1.308 1.00 0.39 H new ATOM 0 HB2 GLN A 124 -3.920 9.300 2.897 1.00 0.45 H new ATOM 0 HB3 GLN A 124 -2.595 9.732 1.834 1.00 0.45 H new ATOM 0 HG2 GLN A 124 -3.985 11.628 1.851 1.00 0.67 H new ATOM 0 HG3 GLN A 124 -4.325 10.846 0.320 1.00 0.67 H new ATOM 0 HE21 GLN A 124 -5.951 12.741 1.835 1.00 1.57 H new ATOM 0 HE22 GLN A 124 -7.489 11.930 2.146 1.00 1.57 H new ATOM 1984 N LYS A 125 -5.125 8.482 -1.063 1.00 0.37 N ATOM 1985 CA LYS A 125 -5.306 8.788 -2.471 1.00 0.38 C ATOM 1986 C LYS A 125 -6.559 9.639 -2.651 1.00 0.35 C ATOM 1987 O LYS A 125 -7.672 9.168 -2.445 1.00 0.41 O ATOM 1988 CB LYS A 125 -5.444 7.470 -3.245 1.00 0.53 C ATOM 1989 CG LYS A 125 -5.512 7.600 -4.760 1.00 0.98 C ATOM 1990 CD LYS A 125 -5.724 6.231 -5.394 1.00 1.06 C ATOM 1991 CE LYS A 125 -5.453 6.226 -6.891 1.00 1.36 C ATOM 1992 NZ LYS A 125 -6.407 7.072 -7.653 1.00 1.55 N ATOM 0 H LYS A 125 -5.974 8.169 -0.592 1.00 0.37 H new ATOM 0 HA LYS A 125 -4.449 9.345 -2.849 1.00 0.38 H new ATOM 0 HB2 LYS A 125 -4.599 6.830 -2.991 1.00 0.53 H new ATOM 0 HB3 LYS A 125 -6.344 6.960 -2.901 1.00 0.53 H new ATOM 0 HG2 LYS A 125 -6.326 8.269 -5.039 1.00 0.98 H new ATOM 0 HG3 LYS A 125 -4.591 8.045 -5.136 1.00 0.98 H new ATOM 0 HD2 LYS A 125 -5.071 5.506 -4.909 1.00 1.06 H new ATOM 0 HD3 LYS A 125 -6.749 5.907 -5.214 1.00 1.06 H new ATOM 0 HE2 LYS A 125 -4.438 6.578 -7.073 1.00 1.36 H new ATOM 0 HE3 LYS A 125 -5.507 5.202 -7.262 1.00 1.36 H new ATOM 0 HZ1 LYS A 125 -6.175 7.031 -8.666 1.00 1.55 H new ATOM 0 HZ2 LYS A 125 -7.375 6.723 -7.505 1.00 1.55 H new ATOM 0 HZ3 LYS A 125 -6.340 8.056 -7.322 1.00 1.55 H new ATOM 2006 N THR A 126 -6.388 10.884 -3.044 1.00 0.31 N ATOM 2007 CA THR A 126 -7.532 11.737 -3.310 1.00 0.31 C ATOM 2008 C THR A 126 -7.620 11.999 -4.794 1.00 0.34 C ATOM 2009 O THR A 126 -6.618 12.338 -5.427 1.00 0.39 O ATOM 2010 CB THR A 126 -7.431 13.085 -2.584 1.00 0.35 C ATOM 2011 OG1 THR A 126 -6.656 12.937 -1.387 1.00 0.42 O ATOM 2012 CG2 THR A 126 -8.813 13.611 -2.221 1.00 0.47 C ATOM 0 H THR A 126 -5.480 11.326 -3.186 1.00 0.31 H new ATOM 0 HA THR A 126 -8.419 11.219 -2.946 1.00 0.31 H new ATOM 0 HB THR A 126 -6.948 13.796 -3.254 1.00 0.35 H new ATOM 0 HG1 THR A 126 -6.010 13.671 -1.323 1.00 0.42 H new ATOM 0 HG21 THR A 126 -8.715 14.567 -1.707 1.00 0.47 H new ATOM 0 HG22 THR A 126 -9.401 13.745 -3.129 1.00 0.47 H new ATOM 0 HG23 THR A 126 -9.314 12.897 -1.567 1.00 0.47 H new ATOM 2020 N SER A 127 -8.798 11.850 -5.358 1.00 0.37 N ATOM 2021 CA SER A 127 -8.964 12.047 -6.777 1.00 0.45 C ATOM 2022 C SER A 127 -10.414 12.356 -7.097 1.00 0.51 C ATOM 2023 O SER A 127 -11.316 11.683 -6.598 1.00 0.52 O ATOM 2024 CB SER A 127 -8.499 10.799 -7.526 1.00 0.54 C ATOM 2025 OG SER A 127 -9.002 9.625 -6.912 1.00 0.87 O ATOM 0 H SER A 127 -9.649 11.595 -4.858 1.00 0.37 H new ATOM 0 HA SER A 127 -8.357 12.894 -7.097 1.00 0.45 H new ATOM 0 HB2 SER A 127 -8.835 10.845 -8.562 1.00 0.54 H new ATOM 0 HB3 SER A 127 -7.410 10.766 -7.545 1.00 0.54 H new ATOM 0 HG SER A 127 -8.694 8.838 -7.408 1.00 0.87 H new ATOM 2031 N GLU A 128 -10.630 13.391 -7.897 1.00 0.63 N ATOM 2032 CA GLU A 128 -11.968 13.740 -8.360 1.00 0.74 C ATOM 2033 C GLU A 128 -12.864 14.122 -7.182 1.00 0.66 C ATOM 2034 O GLU A 128 -14.041 13.760 -7.141 1.00 0.71 O ATOM 2035 CB GLU A 128 -12.571 12.562 -9.124 1.00 0.89 C ATOM 2036 CG GLU A 128 -13.763 12.931 -9.977 1.00 1.26 C ATOM 2037 CD GLU A 128 -13.366 13.759 -11.181 1.00 1.59 C ATOM 2038 OE1 GLU A 128 -12.913 13.177 -12.187 1.00 2.13 O ATOM 2039 OE2 GLU A 128 -13.484 15.001 -11.120 1.00 1.98 O ATOM 0 H GLU A 128 -9.893 14.007 -8.241 1.00 0.63 H new ATOM 0 HA GLU A 128 -11.896 14.600 -9.026 1.00 0.74 H new ATOM 0 HB2 GLU A 128 -11.803 12.123 -9.761 1.00 0.89 H new ATOM 0 HB3 GLU A 128 -12.871 11.794 -8.411 1.00 0.89 H new ATOM 0 HG2 GLU A 128 -14.264 12.023 -10.311 1.00 1.26 H new ATOM 0 HG3 GLU A 128 -14.481 13.488 -9.375 1.00 1.26 H new ATOM 2046 N ASN A 129 -12.278 14.812 -6.203 1.00 0.64 N ATOM 2047 CA ASN A 129 -13.009 15.321 -5.038 1.00 0.70 C ATOM 2048 C ASN A 129 -13.290 14.212 -4.023 1.00 0.59 C ATOM 2049 O ASN A 129 -13.643 14.483 -2.876 1.00 0.71 O ATOM 2050 CB ASN A 129 -14.308 16.031 -5.472 1.00 0.91 C ATOM 2051 CG ASN A 129 -15.156 16.514 -4.307 1.00 1.28 C ATOM 2052 OD1 ASN A 129 -14.939 17.601 -3.772 1.00 1.64 O ATOM 2053 ND2 ASN A 129 -16.148 15.720 -3.926 1.00 2.21 N ATOM 0 H ASN A 129 -11.283 15.035 -6.194 1.00 0.64 H new ATOM 0 HA ASN A 129 -12.375 16.057 -4.543 1.00 0.70 H new ATOM 0 HB2 ASN A 129 -14.053 16.883 -6.103 1.00 0.91 H new ATOM 0 HB3 ASN A 129 -14.899 15.348 -6.082 1.00 0.91 H new ATOM 0 HD21 ASN A 129 -16.764 16.003 -3.164 1.00 2.21 H new ATOM 0 HD22 ASN A 129 -16.295 14.826 -4.395 1.00 2.21 H new ATOM 2060 N LYS A 130 -13.105 12.964 -4.426 1.00 0.45 N ATOM 2061 CA LYS A 130 -13.325 11.857 -3.509 1.00 0.49 C ATOM 2062 C LYS A 130 -12.006 11.260 -3.056 1.00 0.42 C ATOM 2063 O LYS A 130 -11.043 11.187 -3.823 1.00 0.45 O ATOM 2064 CB LYS A 130 -14.213 10.773 -4.126 1.00 0.64 C ATOM 2065 CG LYS A 130 -15.673 11.179 -4.256 1.00 1.02 C ATOM 2066 CD LYS A 130 -16.599 9.968 -4.195 1.00 1.36 C ATOM 2067 CE LYS A 130 -16.361 9.006 -5.348 1.00 2.08 C ATOM 2068 NZ LYS A 130 -16.783 9.583 -6.650 1.00 2.80 N ATOM 0 H LYS A 130 -12.809 12.695 -5.364 1.00 0.45 H new ATOM 0 HA LYS A 130 -13.846 12.259 -2.640 1.00 0.49 H new ATOM 0 HB2 LYS A 130 -13.827 10.518 -5.113 1.00 0.64 H new ATOM 0 HB3 LYS A 130 -14.149 9.872 -3.516 1.00 0.64 H new ATOM 0 HG2 LYS A 130 -15.930 11.875 -3.458 1.00 1.02 H new ATOM 0 HG3 LYS A 130 -15.823 11.705 -5.199 1.00 1.02 H new ATOM 0 HD2 LYS A 130 -16.449 9.445 -3.251 1.00 1.36 H new ATOM 0 HD3 LYS A 130 -17.636 10.304 -4.212 1.00 1.36 H new ATOM 0 HE2 LYS A 130 -15.303 8.747 -5.392 1.00 2.08 H new ATOM 0 HE3 LYS A 130 -16.908 8.081 -5.167 1.00 2.08 H new ATOM 0 HZ1 LYS A 130 -16.667 8.871 -7.399 1.00 2.80 H new ATOM 0 HZ2 LYS A 130 -17.781 9.869 -6.596 1.00 2.80 H new ATOM 0 HZ3 LYS A 130 -16.196 10.414 -6.868 1.00 2.80 H new ATOM 2082 N GLN A 131 -11.960 10.850 -1.801 1.00 0.43 N ATOM 2083 CA GLN A 131 -10.774 10.228 -1.247 1.00 0.44 C ATOM 2084 C GLN A 131 -10.935 8.717 -1.214 1.00 0.48 C ATOM 2085 O GLN A 131 -12.004 8.202 -0.888 1.00 0.59 O ATOM 2086 CB GLN A 131 -10.498 10.728 0.171 1.00 0.55 C ATOM 2087 CG GLN A 131 -10.128 12.197 0.224 1.00 0.56 C ATOM 2088 CD GLN A 131 -10.009 12.736 1.637 1.00 0.77 C ATOM 2089 OE1 GLN A 131 -9.550 11.899 2.557 1.00 1.11 O flip ATOM 2090 NE2 GLN A 131 -10.301 13.902 1.896 1.00 1.57 N flip ATOM 0 H GLN A 131 -12.736 10.938 -1.144 1.00 0.43 H new ATOM 0 HA GLN A 131 -9.934 10.497 -1.887 1.00 0.44 H new ATOM 0 HB2 GLN A 131 -11.381 10.560 0.787 1.00 0.55 H new ATOM 0 HB3 GLN A 131 -9.690 10.140 0.606 1.00 0.55 H new ATOM 0 HG2 GLN A 131 -9.181 12.345 -0.295 1.00 0.56 H new ATOM 0 HG3 GLN A 131 -10.880 12.773 -0.315 1.00 0.56 H new ATOM 0 HE21 GLN A 131 -10.651 14.516 1.160 1.00 1.57 H new ATOM 0 HE22 GLN A 131 -10.193 14.256 2.847 1.00 1.57 H new ATOM 2099 N TYR A 132 -9.873 8.025 -1.555 1.00 0.45 N ATOM 2100 CA TYR A 132 -9.822 6.581 -1.462 1.00 0.50 C ATOM 2101 C TYR A 132 -8.552 6.215 -0.729 1.00 0.44 C ATOM 2102 O TYR A 132 -7.488 6.744 -1.029 1.00 0.51 O ATOM 2103 CB TYR A 132 -9.822 5.922 -2.845 1.00 0.57 C ATOM 2104 CG TYR A 132 -10.837 6.497 -3.815 1.00 0.68 C ATOM 2105 CD1 TYR A 132 -12.124 5.982 -3.892 1.00 0.87 C ATOM 2106 CD2 TYR A 132 -10.502 7.550 -4.657 1.00 0.68 C ATOM 2107 CE1 TYR A 132 -13.049 6.501 -4.780 1.00 1.01 C ATOM 2108 CE2 TYR A 132 -11.420 8.073 -5.547 1.00 0.81 C ATOM 2109 CZ TYR A 132 -12.691 7.546 -5.608 1.00 0.96 C ATOM 2110 OH TYR A 132 -13.606 8.065 -6.501 1.00 1.12 O ATOM 0 H TYR A 132 -9.014 8.448 -1.907 1.00 0.45 H new ATOM 0 HA TYR A 132 -10.706 6.224 -0.933 1.00 0.50 H new ATOM 0 HB2 TYR A 132 -8.827 6.019 -3.280 1.00 0.57 H new ATOM 0 HB3 TYR A 132 -10.015 4.856 -2.726 1.00 0.57 H new ATOM 0 HD1 TYR A 132 -12.408 5.163 -3.248 1.00 0.87 H new ATOM 0 HD2 TYR A 132 -9.507 7.967 -4.615 1.00 0.68 H new ATOM 0 HE1 TYR A 132 -14.047 6.090 -4.825 1.00 1.01 H new ATOM 0 HE2 TYR A 132 -11.142 8.893 -6.193 1.00 0.81 H new ATOM 0 HH TYR A 132 -13.192 8.796 -7.006 1.00 1.12 H new ATOM 2120 N PHE A 133 -8.647 5.330 0.231 1.00 0.40 N ATOM 2121 CA PHE A 133 -7.493 5.007 1.043 1.00 0.30 C ATOM 2122 C PHE A 133 -7.490 3.536 1.394 1.00 0.25 C ATOM 2123 O PHE A 133 -8.512 2.851 1.283 1.00 0.30 O ATOM 2124 CB PHE A 133 -7.464 5.850 2.323 1.00 0.45 C ATOM 2125 CG PHE A 133 -8.450 5.404 3.364 1.00 0.82 C ATOM 2126 CD1 PHE A 133 -9.811 5.588 3.175 1.00 1.20 C ATOM 2127 CD2 PHE A 133 -8.015 4.800 4.527 1.00 1.31 C ATOM 2128 CE1 PHE A 133 -10.716 5.178 4.133 1.00 1.74 C ATOM 2129 CE2 PHE A 133 -8.915 4.388 5.490 1.00 1.82 C ATOM 2130 CZ PHE A 133 -10.280 4.580 5.283 1.00 1.95 C ATOM 0 H PHE A 133 -9.499 4.823 0.471 1.00 0.40 H new ATOM 0 HA PHE A 133 -6.600 5.237 0.461 1.00 0.30 H new ATOM 0 HB2 PHE A 133 -6.461 5.815 2.747 1.00 0.45 H new ATOM 0 HB3 PHE A 133 -7.666 6.890 2.067 1.00 0.45 H new ATOM 0 HD1 PHE A 133 -10.167 6.057 2.269 1.00 1.20 H new ATOM 0 HD2 PHE A 133 -6.958 4.648 4.686 1.00 1.31 H new ATOM 0 HE1 PHE A 133 -11.773 5.330 3.974 1.00 1.74 H new ATOM 0 HE2 PHE A 133 -8.563 3.920 6.398 1.00 1.82 H new ATOM 0 HZ PHE A 133 -10.991 4.257 6.029 1.00 1.95 H new ATOM 2140 N LYS A 134 -6.337 3.061 1.808 1.00 0.21 N ATOM 2141 CA LYS A 134 -6.180 1.678 2.193 1.00 0.24 C ATOM 2142 C LYS A 134 -5.049 1.542 3.201 1.00 0.17 C ATOM 2143 O LYS A 134 -4.130 2.363 3.226 1.00 0.20 O ATOM 2144 CB LYS A 134 -5.893 0.809 0.959 1.00 0.38 C ATOM 2145 CG LYS A 134 -4.476 0.936 0.425 1.00 0.53 C ATOM 2146 CD LYS A 134 -4.220 -0.043 -0.706 1.00 0.76 C ATOM 2147 CE LYS A 134 -2.736 -0.159 -1.005 1.00 0.61 C ATOM 2148 NZ LYS A 134 -2.456 -1.139 -2.094 1.00 1.30 N ATOM 0 H LYS A 134 -5.487 3.619 1.887 1.00 0.21 H new ATOM 0 HA LYS A 134 -7.107 1.336 2.653 1.00 0.24 H new ATOM 0 HB2 LYS A 134 -6.082 -0.234 1.211 1.00 0.38 H new ATOM 0 HB3 LYS A 134 -6.593 1.078 0.168 1.00 0.38 H new ATOM 0 HG2 LYS A 134 -4.309 1.954 0.072 1.00 0.53 H new ATOM 0 HG3 LYS A 134 -3.764 0.757 1.231 1.00 0.53 H new ATOM 0 HD2 LYS A 134 -4.618 -1.022 -0.440 1.00 0.76 H new ATOM 0 HD3 LYS A 134 -4.750 0.284 -1.601 1.00 0.76 H new ATOM 0 HE2 LYS A 134 -2.347 0.819 -1.289 1.00 0.61 H new ATOM 0 HE3 LYS A 134 -2.207 -0.462 -0.101 1.00 0.61 H new ATOM 0 HZ1 LYS A 134 -1.439 -1.136 -2.311 1.00 1.30 H new ATOM 0 HZ2 LYS A 134 -2.742 -2.091 -1.787 1.00 1.30 H new ATOM 0 HZ3 LYS A 134 -2.992 -0.875 -2.945 1.00 1.30 H new ATOM 2162 N VAL A 135 -5.119 0.513 4.030 1.00 0.16 N ATOM 2163 CA VAL A 135 -4.006 0.160 4.884 1.00 0.17 C ATOM 2164 C VAL A 135 -3.440 -1.177 4.402 1.00 0.20 C ATOM 2165 O VAL A 135 -4.185 -2.117 4.117 1.00 0.30 O ATOM 2166 CB VAL A 135 -4.387 0.106 6.390 1.00 0.24 C ATOM 2167 CG1 VAL A 135 -5.076 -1.199 6.783 1.00 0.39 C ATOM 2168 CG2 VAL A 135 -3.156 0.351 7.251 1.00 0.78 C ATOM 0 H VAL A 135 -5.936 -0.090 4.127 1.00 0.16 H new ATOM 0 HA VAL A 135 -3.249 0.941 4.809 1.00 0.17 H new ATOM 0 HB VAL A 135 -5.113 0.900 6.566 1.00 0.24 H new ATOM 0 HG11 VAL A 135 -5.317 -1.177 7.846 1.00 0.39 H new ATOM 0 HG12 VAL A 135 -5.993 -1.315 6.205 1.00 0.39 H new ATOM 0 HG13 VAL A 135 -4.410 -2.038 6.579 1.00 0.39 H new ATOM 0 HG21 VAL A 135 -3.435 0.311 8.304 1.00 0.78 H new ATOM 0 HG22 VAL A 135 -2.409 -0.415 7.044 1.00 0.78 H new ATOM 0 HG23 VAL A 135 -2.742 1.333 7.022 1.00 0.78 H new ATOM 2178 N THR A 136 -2.134 -1.240 4.247 1.00 0.20 N ATOM 2179 CA THR A 136 -1.501 -2.395 3.644 1.00 0.22 C ATOM 2180 C THR A 136 -0.847 -3.280 4.693 1.00 0.24 C ATOM 2181 O THR A 136 -0.382 -2.794 5.726 1.00 0.47 O ATOM 2182 CB THR A 136 -0.410 -1.963 2.658 1.00 0.43 C ATOM 2183 OG1 THR A 136 0.663 -1.372 3.381 1.00 1.41 O ATOM 2184 CG2 THR A 136 -0.932 -0.957 1.653 1.00 0.65 C ATOM 0 H THR A 136 -1.488 -0.503 4.531 1.00 0.20 H new ATOM 0 HA THR A 136 -2.286 -2.948 3.129 1.00 0.22 H new ATOM 0 HB THR A 136 -0.075 -2.848 2.117 1.00 0.43 H new ATOM 0 HG1 THR A 136 1.512 -1.594 2.945 1.00 1.41 H new ATOM 0 HG21 THR A 136 -0.130 -0.674 0.971 1.00 0.65 H new ATOM 0 HG22 THR A 136 -1.751 -1.400 1.086 1.00 0.65 H new ATOM 0 HG23 THR A 136 -1.291 -0.071 2.177 1.00 0.65 H new ATOM 2192 N LEU A 137 -0.796 -4.572 4.417 1.00 0.18 N ATOM 2193 CA LEU A 137 -0.007 -5.483 5.218 1.00 0.21 C ATOM 2194 C LEU A 137 1.146 -6.002 4.369 1.00 0.17 C ATOM 2195 O LEU A 137 0.970 -6.918 3.560 1.00 0.25 O ATOM 2196 CB LEU A 137 -0.886 -6.633 5.734 1.00 0.33 C ATOM 2197 CG LEU A 137 -0.282 -7.513 6.841 1.00 0.34 C ATOM 2198 CD1 LEU A 137 0.756 -8.475 6.288 1.00 0.97 C ATOM 2199 CD2 LEU A 137 0.331 -6.650 7.927 1.00 0.68 C ATOM 0 H LEU A 137 -1.294 -5.011 3.642 1.00 0.18 H new ATOM 0 HA LEU A 137 0.398 -4.967 6.089 1.00 0.21 H new ATOM 0 HB2 LEU A 137 -1.819 -6.209 6.106 1.00 0.33 H new ATOM 0 HB3 LEU A 137 -1.141 -7.273 4.890 1.00 0.33 H new ATOM 0 HG LEU A 137 -1.091 -8.105 7.269 1.00 0.34 H new ATOM 0 HD11 LEU A 137 1.160 -9.080 7.100 1.00 0.97 H new ATOM 0 HD12 LEU A 137 0.291 -9.126 5.547 1.00 0.97 H new ATOM 0 HD13 LEU A 137 1.562 -7.910 5.820 1.00 0.97 H new ATOM 0 HD21 LEU A 137 0.754 -7.288 8.703 1.00 0.68 H new ATOM 0 HD22 LEU A 137 1.118 -6.030 7.498 1.00 0.68 H new ATOM 0 HD23 LEU A 137 -0.438 -6.011 8.362 1.00 0.68 H new ATOM 2211 N TYR A 138 2.309 -5.389 4.530 1.00 0.18 N ATOM 2212 CA TYR A 138 3.504 -5.820 3.818 1.00 0.26 C ATOM 2213 C TYR A 138 4.424 -6.560 4.762 1.00 0.20 C ATOM 2214 O TYR A 138 4.289 -6.456 5.983 1.00 0.25 O ATOM 2215 CB TYR A 138 4.263 -4.638 3.207 1.00 0.44 C ATOM 2216 CG TYR A 138 3.530 -3.918 2.100 1.00 0.59 C ATOM 2217 CD1 TYR A 138 3.065 -4.594 0.981 1.00 1.36 C ATOM 2218 CD2 TYR A 138 3.319 -2.552 2.173 1.00 0.54 C ATOM 2219 CE1 TYR A 138 2.405 -3.922 -0.031 1.00 2.04 C ATOM 2220 CE2 TYR A 138 2.664 -1.874 1.166 1.00 1.18 C ATOM 2221 CZ TYR A 138 2.209 -2.563 0.065 1.00 1.94 C ATOM 2222 OH TYR A 138 1.550 -1.890 -0.940 1.00 2.64 O ATOM 0 H TYR A 138 2.451 -4.590 5.148 1.00 0.18 H new ATOM 0 HA TYR A 138 3.183 -6.475 3.008 1.00 0.26 H new ATOM 0 HB2 TYR A 138 4.491 -3.923 3.998 1.00 0.44 H new ATOM 0 HB3 TYR A 138 5.216 -4.998 2.819 1.00 0.44 H new ATOM 0 HD1 TYR A 138 3.221 -5.660 0.899 1.00 1.36 H new ATOM 0 HD2 TYR A 138 3.674 -2.007 3.035 1.00 0.54 H new ATOM 0 HE1 TYR A 138 2.044 -4.462 -0.894 1.00 2.04 H new ATOM 0 HE2 TYR A 138 2.509 -0.808 1.241 1.00 1.18 H new ATOM 0 HH TYR A 138 1.496 -0.938 -0.715 1.00 2.64 H new ATOM 2232 N GLY A 139 5.361 -7.299 4.202 1.00 0.28 N ATOM 2233 CA GLY A 139 6.284 -8.047 5.013 1.00 0.29 C ATOM 2234 C GLY A 139 7.607 -8.270 4.321 1.00 0.33 C ATOM 2235 O GLY A 139 7.745 -7.978 3.129 1.00 0.45 O ATOM 0 H GLY A 139 5.498 -7.394 3.196 1.00 0.28 H new ATOM 0 HA2 GLY A 139 6.452 -7.517 5.950 1.00 0.29 H new ATOM 0 HA3 GLY A 139 5.842 -9.011 5.266 1.00 0.29 H new ATOM 2239 N ARG A 140 8.569 -8.794 5.075 1.00 0.37 N ATOM 2240 CA ARG A 140 9.869 -9.200 4.538 1.00 0.49 C ATOM 2241 C ARG A 140 9.699 -10.093 3.309 1.00 0.38 C ATOM 2242 O ARG A 140 10.515 -10.077 2.386 1.00 0.51 O ATOM 2243 CB ARG A 140 10.644 -9.965 5.616 1.00 0.78 C ATOM 2244 CG ARG A 140 9.852 -11.118 6.220 1.00 1.61 C ATOM 2245 CD ARG A 140 10.630 -11.858 7.293 1.00 1.91 C ATOM 2246 NE ARG A 140 9.892 -13.029 7.778 1.00 2.46 N ATOM 2247 CZ ARG A 140 10.357 -13.881 8.692 1.00 3.13 C ATOM 2248 NH1 ARG A 140 11.490 -13.634 9.333 1.00 3.38 N ATOM 2249 NH2 ARG A 140 9.660 -14.960 9.014 1.00 3.99 N ATOM 0 H ARG A 140 8.471 -8.950 6.078 1.00 0.37 H new ATOM 0 HA ARG A 140 10.417 -8.305 4.242 1.00 0.49 H new ATOM 0 HB2 ARG A 140 11.567 -10.353 5.185 1.00 0.78 H new ATOM 0 HB3 ARG A 140 10.929 -9.274 6.409 1.00 0.78 H new ATOM 0 HG2 ARG A 140 8.926 -10.734 6.647 1.00 1.61 H new ATOM 0 HG3 ARG A 140 9.574 -11.816 5.431 1.00 1.61 H new ATOM 0 HD2 ARG A 140 11.594 -12.173 6.893 1.00 1.91 H new ATOM 0 HD3 ARG A 140 10.835 -11.185 8.125 1.00 1.91 H new ATOM 0 HE ARG A 140 8.964 -13.203 7.392 1.00 2.46 H new ATOM 0 HH11 ARG A 140 12.016 -12.784 9.129 1.00 3.38 H new ATOM 0 HH12 ARG A 140 11.836 -14.293 10.030 1.00 3.38 H new ATOM 0 HH21 ARG A 140 8.764 -15.142 8.562 1.00 3.99 H new ATOM 0 HH22 ARG A 140 10.019 -15.609 9.714 1.00 3.99 H new ATOM 2263 N THR A 141 8.628 -10.868 3.324 1.00 0.40 N ATOM 2264 CA THR A 141 8.309 -11.788 2.257 1.00 0.58 C ATOM 2265 C THR A 141 6.873 -12.285 2.447 1.00 0.64 C ATOM 2266 O THR A 141 6.116 -11.688 3.215 1.00 1.14 O ATOM 2267 CB THR A 141 9.314 -12.969 2.238 1.00 0.85 C ATOM 2268 OG1 THR A 141 9.037 -13.864 1.153 1.00 1.13 O ATOM 2269 CG2 THR A 141 9.289 -13.732 3.558 1.00 0.94 C ATOM 0 H THR A 141 7.951 -10.873 4.087 1.00 0.40 H new ATOM 0 HA THR A 141 8.387 -11.280 1.296 1.00 0.58 H new ATOM 0 HB THR A 141 10.309 -12.547 2.098 1.00 0.85 H new ATOM 0 HG1 THR A 141 9.685 -14.599 1.162 1.00 1.13 H new ATOM 0 HG21 THR A 141 10.003 -14.554 3.516 1.00 0.94 H new ATOM 0 HG22 THR A 141 9.557 -13.059 4.372 1.00 0.94 H new ATOM 0 HG23 THR A 141 8.288 -14.129 3.730 1.00 0.94 H new ATOM 2277 N LYS A 142 6.505 -13.372 1.784 1.00 0.79 N ATOM 2278 CA LYS A 142 5.160 -13.937 1.909 1.00 0.87 C ATOM 2279 C LYS A 142 4.992 -14.665 3.239 1.00 0.84 C ATOM 2280 O LYS A 142 3.958 -15.276 3.505 1.00 1.09 O ATOM 2281 CB LYS A 142 4.889 -14.913 0.767 1.00 1.02 C ATOM 2282 CG LYS A 142 4.815 -14.271 -0.604 1.00 1.17 C ATOM 2283 CD LYS A 142 5.080 -15.301 -1.687 1.00 0.84 C ATOM 2284 CE LYS A 142 4.735 -14.790 -3.078 1.00 0.85 C ATOM 2285 NZ LYS A 142 5.254 -15.703 -4.130 1.00 1.57 N ATOM 0 H LYS A 142 7.118 -13.885 1.151 1.00 0.79 H new ATOM 0 HA LYS A 142 4.448 -13.113 1.866 1.00 0.87 H new ATOM 0 HB2 LYS A 142 5.674 -15.669 0.758 1.00 1.02 H new ATOM 0 HB3 LYS A 142 3.950 -15.430 0.963 1.00 1.02 H new ATOM 0 HG2 LYS A 142 3.831 -13.825 -0.751 1.00 1.17 H new ATOM 0 HG3 LYS A 142 5.545 -13.464 -0.674 1.00 1.17 H new ATOM 0 HD2 LYS A 142 6.131 -15.589 -1.660 1.00 0.84 H new ATOM 0 HD3 LYS A 142 4.498 -16.199 -1.479 1.00 0.84 H new ATOM 0 HE2 LYS A 142 3.653 -14.696 -3.176 1.00 0.85 H new ATOM 0 HE3 LYS A 142 5.156 -13.794 -3.217 1.00 0.85 H new ATOM 0 HZ1 LYS A 142 6.129 -15.309 -4.530 1.00 1.57 H new ATOM 0 HZ2 LYS A 142 5.452 -16.635 -3.714 1.00 1.57 H new ATOM 0 HZ3 LYS A 142 4.544 -15.804 -4.883 1.00 1.57 H new ATOM 2299 N GLY A 143 6.007 -14.570 4.073 1.00 0.67 N ATOM 2300 CA GLY A 143 6.035 -15.308 5.312 1.00 0.70 C ATOM 2301 C GLY A 143 5.788 -14.421 6.508 1.00 0.62 C ATOM 2302 O GLY A 143 6.733 -13.984 7.168 1.00 0.74 O ATOM 0 H GLY A 143 6.826 -13.985 3.911 1.00 0.67 H new ATOM 0 HA2 GLY A 143 5.280 -16.094 5.282 1.00 0.70 H new ATOM 0 HA3 GLY A 143 7.002 -15.799 5.419 1.00 0.70 H new ATOM 2306 N LEU A 144 4.518 -14.141 6.768 1.00 0.52 N ATOM 2307 CA LEU A 144 4.118 -13.340 7.919 1.00 0.46 C ATOM 2308 C LEU A 144 2.981 -14.023 8.668 1.00 0.48 C ATOM 2309 O LEU A 144 1.985 -14.436 8.066 1.00 0.53 O ATOM 2310 CB LEU A 144 3.677 -11.938 7.491 1.00 0.43 C ATOM 2311 CG LEU A 144 4.776 -11.025 6.947 1.00 0.40 C ATOM 2312 CD1 LEU A 144 4.228 -9.620 6.773 1.00 0.56 C ATOM 2313 CD2 LEU A 144 5.985 -11.007 7.873 1.00 0.56 C ATOM 0 H LEU A 144 3.740 -14.460 6.191 1.00 0.52 H new ATOM 0 HA LEU A 144 4.983 -13.247 8.576 1.00 0.46 H new ATOM 0 HB2 LEU A 144 2.906 -12.039 6.728 1.00 0.43 H new ATOM 0 HB3 LEU A 144 3.215 -11.447 8.348 1.00 0.43 H new ATOM 0 HG LEU A 144 5.101 -11.412 5.981 1.00 0.40 H new ATOM 0 HD11 LEU A 144 5.012 -8.969 6.385 1.00 0.56 H new ATOM 0 HD12 LEU A 144 3.393 -9.639 6.073 1.00 0.56 H new ATOM 0 HD13 LEU A 144 3.885 -9.241 7.736 1.00 0.56 H new ATOM 0 HD21 LEU A 144 6.750 -10.349 7.460 1.00 0.56 H new ATOM 0 HD22 LEU A 144 5.685 -10.643 8.856 1.00 0.56 H new ATOM 0 HD23 LEU A 144 6.386 -12.016 7.967 1.00 0.56 H new ATOM 2325 N SER A 145 3.141 -14.126 9.980 1.00 0.51 N ATOM 2326 CA SER A 145 2.168 -14.769 10.846 1.00 0.56 C ATOM 2327 C SER A 145 0.799 -14.091 10.749 1.00 0.50 C ATOM 2328 O SER A 145 0.688 -12.916 10.399 1.00 0.49 O ATOM 2329 CB SER A 145 2.685 -14.716 12.284 1.00 0.65 C ATOM 2330 OG SER A 145 4.020 -15.190 12.352 1.00 1.43 O ATOM 0 H SER A 145 3.956 -13.763 10.475 1.00 0.51 H new ATOM 0 HA SER A 145 2.040 -15.804 10.530 1.00 0.56 H new ATOM 0 HB2 SER A 145 2.637 -13.693 12.656 1.00 0.65 H new ATOM 0 HB3 SER A 145 2.046 -15.319 12.929 1.00 0.65 H new ATOM 0 HG SER A 145 4.335 -15.147 13.279 1.00 1.43 H new ATOM 2336 N ASP A 146 -0.244 -14.850 11.061 1.00 0.53 N ATOM 2337 CA ASP A 146 -1.611 -14.343 11.018 1.00 0.51 C ATOM 2338 C ASP A 146 -1.828 -13.302 12.100 1.00 0.48 C ATOM 2339 O ASP A 146 -2.704 -12.445 11.984 1.00 0.46 O ATOM 2340 CB ASP A 146 -2.622 -15.479 11.184 1.00 0.62 C ATOM 2341 CG ASP A 146 -2.537 -16.498 10.071 1.00 1.15 C ATOM 2342 OD1 ASP A 146 -2.795 -16.132 8.909 1.00 1.24 O ATOM 2343 OD2 ASP A 146 -2.200 -17.668 10.350 1.00 2.08 O ATOM 0 H ASP A 146 -0.169 -15.826 11.349 1.00 0.53 H new ATOM 0 HA ASP A 146 -1.764 -13.880 10.043 1.00 0.51 H new ATOM 0 HB2 ASP A 146 -2.452 -15.975 12.140 1.00 0.62 H new ATOM 0 HB3 ASP A 146 -3.629 -15.063 11.215 1.00 0.62 H new ATOM 2348 N GLU A 147 -1.017 -13.388 13.145 1.00 0.51 N ATOM 2349 CA GLU A 147 -1.098 -12.472 14.272 1.00 0.53 C ATOM 2350 C GLU A 147 -0.860 -11.031 13.818 1.00 0.45 C ATOM 2351 O GLU A 147 -1.577 -10.113 14.220 1.00 0.46 O ATOM 2352 CB GLU A 147 -0.068 -12.873 15.329 1.00 0.62 C ATOM 2353 CG GLU A 147 -0.118 -12.039 16.596 1.00 0.72 C ATOM 2354 CD GLU A 147 0.977 -12.417 17.569 1.00 1.25 C ATOM 2355 OE1 GLU A 147 2.140 -12.026 17.350 1.00 1.99 O ATOM 2356 OE2 GLU A 147 0.673 -13.091 18.575 1.00 1.48 O ATOM 0 H GLU A 147 -0.286 -14.094 13.235 1.00 0.51 H new ATOM 0 HA GLU A 147 -2.098 -12.529 14.702 1.00 0.53 H new ATOM 0 HB2 GLU A 147 -0.222 -13.920 15.591 1.00 0.62 H new ATOM 0 HB3 GLU A 147 0.929 -12.796 14.896 1.00 0.62 H new ATOM 0 HG2 GLU A 147 -0.026 -10.984 16.339 1.00 0.72 H new ATOM 0 HG3 GLU A 147 -1.089 -12.167 17.076 1.00 0.72 H new ATOM 2363 N LEU A 148 0.142 -10.833 12.965 1.00 0.41 N ATOM 2364 CA LEU A 148 0.453 -9.500 12.466 1.00 0.37 C ATOM 2365 C LEU A 148 -0.590 -9.041 11.444 1.00 0.31 C ATOM 2366 O LEU A 148 -0.862 -7.850 11.314 1.00 0.29 O ATOM 2367 CB LEU A 148 1.889 -9.429 11.906 1.00 0.37 C ATOM 2368 CG LEU A 148 2.255 -10.395 10.769 1.00 0.35 C ATOM 2369 CD1 LEU A 148 1.739 -9.900 9.429 1.00 0.33 C ATOM 2370 CD2 LEU A 148 3.762 -10.577 10.704 1.00 0.38 C ATOM 0 H LEU A 148 0.747 -11.573 12.608 1.00 0.41 H new ATOM 0 HA LEU A 148 0.409 -8.806 13.305 1.00 0.37 H new ATOM 0 HB2 LEU A 148 2.062 -8.413 11.553 1.00 0.37 H new ATOM 0 HB3 LEU A 148 2.581 -9.602 12.730 1.00 0.37 H new ATOM 0 HG LEU A 148 1.780 -11.353 10.981 1.00 0.35 H new ATOM 0 HD11 LEU A 148 2.016 -10.608 8.648 1.00 0.33 H new ATOM 0 HD12 LEU A 148 0.653 -9.810 9.468 1.00 0.33 H new ATOM 0 HD13 LEU A 148 2.176 -8.926 9.208 1.00 0.33 H new ATOM 0 HD21 LEU A 148 4.011 -11.264 9.895 1.00 0.38 H new ATOM 0 HD22 LEU A 148 4.237 -9.613 10.521 1.00 0.38 H new ATOM 0 HD23 LEU A 148 4.120 -10.985 11.649 1.00 0.38 H new ATOM 2382 N LYS A 149 -1.189 -9.992 10.733 1.00 0.31 N ATOM 2383 CA LYS A 149 -2.227 -9.662 9.762 1.00 0.29 C ATOM 2384 C LYS A 149 -3.508 -9.231 10.476 1.00 0.29 C ATOM 2385 O LYS A 149 -4.173 -8.288 10.062 1.00 0.28 O ATOM 2386 CB LYS A 149 -2.519 -10.845 8.832 1.00 0.35 C ATOM 2387 CG LYS A 149 -1.334 -11.253 7.969 1.00 0.78 C ATOM 2388 CD LYS A 149 -1.760 -12.152 6.815 1.00 0.80 C ATOM 2389 CE LYS A 149 -2.239 -13.518 7.286 1.00 0.83 C ATOM 2390 NZ LYS A 149 -1.117 -14.403 7.713 1.00 1.22 N ATOM 0 H LYS A 149 -0.977 -10.987 10.809 1.00 0.31 H new ATOM 0 HA LYS A 149 -1.860 -8.835 9.154 1.00 0.29 H new ATOM 0 HB2 LYS A 149 -2.831 -11.699 9.433 1.00 0.35 H new ATOM 0 HB3 LYS A 149 -3.357 -10.588 8.184 1.00 0.35 H new ATOM 0 HG2 LYS A 149 -0.847 -10.361 7.575 1.00 0.78 H new ATOM 0 HG3 LYS A 149 -0.599 -11.773 8.583 1.00 0.78 H new ATOM 0 HD2 LYS A 149 -2.557 -11.664 6.254 1.00 0.80 H new ATOM 0 HD3 LYS A 149 -0.922 -12.281 6.130 1.00 0.80 H new ATOM 0 HE2 LYS A 149 -2.932 -13.389 8.117 1.00 0.83 H new ATOM 0 HE3 LYS A 149 -2.793 -14.002 6.482 1.00 0.83 H new ATOM 0 HZ1 LYS A 149 -1.502 -15.280 8.119 1.00 1.22 H new ATOM 0 HZ2 LYS A 149 -0.524 -14.633 6.890 1.00 1.22 H new ATOM 0 HZ3 LYS A 149 -0.542 -13.914 8.428 1.00 1.22 H new ATOM 2404 N GLU A 150 -3.847 -9.920 11.555 1.00 0.33 N ATOM 2405 CA GLU A 150 -4.985 -9.527 12.381 1.00 0.35 C ATOM 2406 C GLU A 150 -4.779 -8.102 12.885 1.00 0.34 C ATOM 2407 O GLU A 150 -5.721 -7.320 13.015 1.00 0.35 O ATOM 2408 CB GLU A 150 -5.122 -10.488 13.566 1.00 0.42 C ATOM 2409 CG GLU A 150 -6.263 -10.161 14.519 1.00 1.02 C ATOM 2410 CD GLU A 150 -7.614 -10.559 13.971 1.00 1.39 C ATOM 2411 OE1 GLU A 150 -7.966 -11.752 14.037 1.00 2.00 O ATOM 2412 OE2 GLU A 150 -8.332 -9.677 13.457 1.00 1.83 O ATOM 0 H GLU A 150 -3.354 -10.752 11.881 1.00 0.33 H new ATOM 0 HA GLU A 150 -5.897 -9.569 11.786 1.00 0.35 H new ATOM 0 HB2 GLU A 150 -5.265 -11.498 13.183 1.00 0.42 H new ATOM 0 HB3 GLU A 150 -4.187 -10.489 14.126 1.00 0.42 H new ATOM 0 HG2 GLU A 150 -6.096 -10.671 15.468 1.00 1.02 H new ATOM 0 HG3 GLU A 150 -6.261 -9.091 14.728 1.00 1.02 H new ATOM 2419 N ARG A 151 -3.527 -7.780 13.159 1.00 0.33 N ATOM 2420 CA ARG A 151 -3.147 -6.449 13.598 1.00 0.35 C ATOM 2421 C ARG A 151 -3.412 -5.414 12.499 1.00 0.30 C ATOM 2422 O ARG A 151 -3.826 -4.292 12.792 1.00 0.32 O ATOM 2423 CB ARG A 151 -1.672 -6.459 14.017 1.00 0.41 C ATOM 2424 CG ARG A 151 -1.107 -5.106 14.415 1.00 1.21 C ATOM 2425 CD ARG A 151 0.251 -5.268 15.080 1.00 1.20 C ATOM 2426 NE ARG A 151 1.096 -4.086 14.922 1.00 1.71 N ATOM 2427 CZ ARG A 151 2.416 -4.090 15.120 1.00 1.97 C ATOM 2428 NH1 ARG A 151 3.014 -5.169 15.612 1.00 1.74 N ATOM 2429 NH2 ARG A 151 3.138 -3.017 14.837 1.00 2.88 N ATOM 0 H ARG A 151 -2.747 -8.432 13.084 1.00 0.33 H new ATOM 0 HA ARG A 151 -3.754 -6.164 14.457 1.00 0.35 H new ATOM 0 HB2 ARG A 151 -1.553 -7.146 14.855 1.00 0.41 H new ATOM 0 HB3 ARG A 151 -1.079 -6.855 13.193 1.00 0.41 H new ATOM 0 HG2 ARG A 151 -1.013 -4.472 13.534 1.00 1.21 H new ATOM 0 HG3 ARG A 151 -1.794 -4.605 15.097 1.00 1.21 H new ATOM 0 HD2 ARG A 151 0.110 -5.471 16.142 1.00 1.20 H new ATOM 0 HD3 ARG A 151 0.759 -6.133 14.655 1.00 1.20 H new ATOM 0 HE ARG A 151 0.653 -3.210 14.645 1.00 1.71 H new ATOM 0 HH11 ARG A 151 2.464 -5.998 15.840 1.00 1.74 H new ATOM 0 HH12 ARG A 151 4.023 -5.169 15.762 1.00 1.74 H new ATOM 0 HH21 ARG A 151 2.686 -2.181 14.466 1.00 2.88 H new ATOM 0 HH22 ARG A 151 4.146 -3.026 14.990 1.00 2.88 H new ATOM 2443 N PHE A 152 -3.213 -5.796 11.233 1.00 0.28 N ATOM 2444 CA PHE A 152 -3.473 -4.872 10.129 1.00 0.27 C ATOM 2445 C PHE A 152 -4.976 -4.654 9.956 1.00 0.23 C ATOM 2446 O PHE A 152 -5.411 -3.527 9.757 1.00 0.24 O ATOM 2447 CB PHE A 152 -2.812 -5.333 8.803 1.00 0.30 C ATOM 2448 CG PHE A 152 -3.744 -5.951 7.778 1.00 0.25 C ATOM 2449 CD1 PHE A 152 -4.681 -5.177 7.106 1.00 0.21 C ATOM 2450 CD2 PHE A 152 -3.684 -7.305 7.492 1.00 0.28 C ATOM 2451 CE1 PHE A 152 -5.536 -5.740 6.184 1.00 0.19 C ATOM 2452 CE2 PHE A 152 -4.536 -7.873 6.566 1.00 0.26 C ATOM 2453 CZ PHE A 152 -5.464 -7.092 5.914 1.00 0.21 C ATOM 0 H PHE A 152 -2.880 -6.718 10.953 1.00 0.28 H new ATOM 0 HA PHE A 152 -3.013 -3.918 10.387 1.00 0.27 H new ATOM 0 HB2 PHE A 152 -2.320 -4.474 8.347 1.00 0.30 H new ATOM 0 HB3 PHE A 152 -2.033 -6.057 9.041 1.00 0.30 H new ATOM 0 HD1 PHE A 152 -4.740 -4.118 7.309 1.00 0.21 H new ATOM 0 HD2 PHE A 152 -2.961 -7.925 8.001 1.00 0.28 H new ATOM 0 HE1 PHE A 152 -6.262 -5.124 5.673 1.00 0.19 H new ATOM 0 HE2 PHE A 152 -4.475 -8.930 6.353 1.00 0.26 H new ATOM 0 HZ PHE A 152 -6.134 -7.536 5.193 1.00 0.21 H new ATOM 2463 N VAL A 153 -5.771 -5.728 10.025 1.00 0.22 N ATOM 2464 CA VAL A 153 -7.221 -5.595 9.881 1.00 0.22 C ATOM 2465 C VAL A 153 -7.750 -4.725 11.022 1.00 0.25 C ATOM 2466 O VAL A 153 -8.670 -3.936 10.840 1.00 0.28 O ATOM 2467 CB VAL A 153 -7.970 -6.965 9.856 1.00 0.23 C ATOM 2468 CG1 VAL A 153 -7.211 -8.002 9.038 1.00 0.23 C ATOM 2469 CG2 VAL A 153 -8.244 -7.497 11.252 1.00 0.28 C ATOM 0 H VAL A 153 -5.441 -6.681 10.177 1.00 0.22 H new ATOM 0 HA VAL A 153 -7.414 -5.129 8.915 1.00 0.22 H new ATOM 0 HB VAL A 153 -8.931 -6.780 9.376 1.00 0.23 H new ATOM 0 HG11 VAL A 153 -7.761 -8.943 9.043 1.00 0.23 H new ATOM 0 HG12 VAL A 153 -7.104 -7.649 8.012 1.00 0.23 H new ATOM 0 HG13 VAL A 153 -6.224 -8.157 9.473 1.00 0.23 H new ATOM 0 HG21 VAL A 153 -8.766 -8.451 11.182 1.00 0.28 H new ATOM 0 HG22 VAL A 153 -7.301 -7.638 11.779 1.00 0.28 H new ATOM 0 HG23 VAL A 153 -8.862 -6.784 11.798 1.00 0.28 H new ATOM 2479 N SER A 154 -7.131 -4.854 12.194 1.00 0.28 N ATOM 2480 CA SER A 154 -7.480 -4.029 13.341 1.00 0.33 C ATOM 2481 C SER A 154 -7.147 -2.568 13.059 1.00 0.32 C ATOM 2482 O SER A 154 -7.958 -1.679 13.315 1.00 0.35 O ATOM 2483 CB SER A 154 -6.741 -4.517 14.589 1.00 0.38 C ATOM 2484 OG SER A 154 -7.083 -5.863 14.887 1.00 1.05 O ATOM 0 H SER A 154 -6.384 -5.525 12.371 1.00 0.28 H new ATOM 0 HA SER A 154 -8.552 -4.111 13.520 1.00 0.33 H new ATOM 0 HB2 SER A 154 -5.665 -4.437 14.434 1.00 0.38 H new ATOM 0 HB3 SER A 154 -6.989 -3.878 15.437 1.00 0.38 H new ATOM 0 HG SER A 154 -6.634 -6.462 14.255 1.00 1.05 H new ATOM 2490 N PHE A 155 -5.964 -2.332 12.498 1.00 0.29 N ATOM 2491 CA PHE A 155 -5.550 -0.984 12.128 1.00 0.29 C ATOM 2492 C PHE A 155 -6.451 -0.454 11.013 1.00 0.28 C ATOM 2493 O PHE A 155 -6.700 0.748 10.916 1.00 0.30 O ATOM 2494 CB PHE A 155 -4.085 -0.977 11.682 1.00 0.29 C ATOM 2495 CG PHE A 155 -3.489 0.402 11.572 1.00 0.31 C ATOM 2496 CD1 PHE A 155 -3.084 1.085 12.706 1.00 0.41 C ATOM 2497 CD2 PHE A 155 -3.337 1.015 10.339 1.00 0.26 C ATOM 2498 CE1 PHE A 155 -2.537 2.351 12.611 1.00 0.45 C ATOM 2499 CE2 PHE A 155 -2.791 2.279 10.238 1.00 0.30 C ATOM 2500 CZ PHE A 155 -2.390 2.947 11.375 1.00 0.39 C ATOM 0 H PHE A 155 -5.277 -3.057 12.290 1.00 0.29 H new ATOM 0 HA PHE A 155 -5.644 -0.334 12.998 1.00 0.29 H new ATOM 0 HB2 PHE A 155 -3.497 -1.561 12.390 1.00 0.29 H new ATOM 0 HB3 PHE A 155 -4.007 -1.474 10.715 1.00 0.29 H new ATOM 0 HD1 PHE A 155 -3.197 0.624 13.676 1.00 0.41 H new ATOM 0 HD2 PHE A 155 -3.650 0.497 9.444 1.00 0.26 H new ATOM 0 HE1 PHE A 155 -2.225 2.873 13.503 1.00 0.45 H new ATOM 0 HE2 PHE A 155 -2.678 2.744 9.270 1.00 0.30 H new ATOM 0 HZ PHE A 155 -1.961 3.935 11.299 1.00 0.39 H new ATOM 2510 N ALA A 156 -6.947 -1.371 10.182 1.00 0.25 N ATOM 2511 CA ALA A 156 -7.912 -1.031 9.144 1.00 0.25 C ATOM 2512 C ALA A 156 -9.144 -0.386 9.771 1.00 0.28 C ATOM 2513 O ALA A 156 -9.690 0.587 9.247 1.00 0.28 O ATOM 2514 CB ALA A 156 -8.330 -2.272 8.357 1.00 0.25 C ATOM 0 H ALA A 156 -6.693 -2.358 10.211 1.00 0.25 H new ATOM 0 HA ALA A 156 -7.439 -0.328 8.458 1.00 0.25 H new ATOM 0 HB1 ALA A 156 -9.050 -1.990 7.589 1.00 0.25 H new ATOM 0 HB2 ALA A 156 -7.453 -2.717 7.886 1.00 0.25 H new ATOM 0 HB3 ALA A 156 -8.785 -2.996 9.033 1.00 0.25 H new ATOM 2520 N LYS A 157 -9.565 -0.926 10.913 1.00 0.33 N ATOM 2521 CA LYS A 157 -10.752 -0.428 11.600 1.00 0.39 C ATOM 2522 C LYS A 157 -10.437 0.886 12.305 1.00 0.41 C ATOM 2523 O LYS A 157 -11.333 1.683 12.577 1.00 0.44 O ATOM 2524 CB LYS A 157 -11.280 -1.442 12.629 1.00 0.50 C ATOM 2525 CG LYS A 157 -11.190 -2.901 12.199 1.00 0.78 C ATOM 2526 CD LYS A 157 -11.713 -3.125 10.789 1.00 0.70 C ATOM 2527 CE LYS A 157 -11.522 -4.570 10.354 1.00 0.55 C ATOM 2528 NZ LYS A 157 -12.529 -5.479 10.964 1.00 0.75 N ATOM 0 H LYS A 157 -9.103 -1.706 11.380 1.00 0.33 H new ATOM 0 HA LYS A 157 -11.524 -0.270 10.847 1.00 0.39 H new ATOM 0 HB2 LYS A 157 -10.724 -1.318 13.558 1.00 0.50 H new ATOM 0 HB3 LYS A 157 -12.322 -1.207 12.847 1.00 0.50 H new ATOM 0 HG2 LYS A 157 -10.152 -3.230 12.255 1.00 0.78 H new ATOM 0 HG3 LYS A 157 -11.758 -3.518 12.896 1.00 0.78 H new ATOM 0 HD2 LYS A 157 -12.771 -2.866 10.745 1.00 0.70 H new ATOM 0 HD3 LYS A 157 -11.194 -2.462 10.096 1.00 0.70 H new ATOM 0 HE2 LYS A 157 -11.590 -4.632 9.268 1.00 0.55 H new ATOM 0 HE3 LYS A 157 -10.521 -4.902 10.631 1.00 0.55 H new ATOM 0 HZ1 LYS A 157 -12.329 -6.459 10.680 1.00 0.75 H new ATOM 0 HZ2 LYS A 157 -12.483 -5.403 12.000 1.00 0.75 H new ATOM 0 HZ3 LYS A 157 -13.480 -5.212 10.639 1.00 0.75 H new ATOM 2542 N SER A 158 -9.159 1.106 12.595 1.00 0.48 N ATOM 2543 CA SER A 158 -8.724 2.317 13.277 1.00 0.58 C ATOM 2544 C SER A 158 -8.901 3.543 12.382 1.00 0.49 C ATOM 2545 O SER A 158 -9.235 4.626 12.862 1.00 0.55 O ATOM 2546 CB SER A 158 -7.265 2.177 13.712 1.00 0.81 C ATOM 2547 OG SER A 158 -7.076 0.986 14.458 1.00 1.39 O ATOM 0 H SER A 158 -8.405 0.458 12.367 1.00 0.48 H new ATOM 0 HA SER A 158 -9.345 2.456 14.162 1.00 0.58 H new ATOM 0 HB2 SER A 158 -6.618 2.169 12.835 1.00 0.81 H new ATOM 0 HB3 SER A 158 -6.976 3.039 14.314 1.00 0.81 H new ATOM 0 HG SER A 158 -7.430 0.224 13.953 1.00 1.39 H new ATOM 2553 N LEU A 159 -8.674 3.372 11.082 1.00 0.43 N ATOM 2554 CA LEU A 159 -8.923 4.447 10.128 1.00 0.46 C ATOM 2555 C LEU A 159 -10.424 4.605 9.893 1.00 0.38 C ATOM 2556 O LEU A 159 -10.898 5.683 9.536 1.00 0.55 O ATOM 2557 CB LEU A 159 -8.206 4.203 8.790 1.00 0.61 C ATOM 2558 CG LEU A 159 -6.703 4.542 8.739 1.00 0.30 C ATOM 2559 CD1 LEU A 159 -6.420 5.894 9.384 1.00 0.34 C ATOM 2560 CD2 LEU A 159 -5.867 3.451 9.385 1.00 0.76 C ATOM 0 H LEU A 159 -8.322 2.508 10.669 1.00 0.43 H new ATOM 0 HA LEU A 159 -8.522 5.365 10.557 1.00 0.46 H new ATOM 0 HB2 LEU A 159 -8.327 3.153 8.525 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -8.713 4.786 8.021 1.00 0.61 H new ATOM 0 HG LEU A 159 -6.418 4.603 7.689 1.00 0.30 H new ATOM 0 HD11 LEU A 159 -5.352 6.105 9.333 1.00 0.34 H new ATOM 0 HD12 LEU A 159 -6.970 6.672 8.854 1.00 0.34 H new ATOM 0 HD13 LEU A 159 -6.736 5.873 10.427 1.00 0.34 H new ATOM 0 HD21 LEU A 159 -4.812 3.721 9.332 1.00 0.76 H new ATOM 0 HD22 LEU A 159 -6.161 3.337 10.429 1.00 0.76 H new ATOM 0 HD23 LEU A 159 -6.027 2.510 8.859 1.00 0.76 H new ATOM 2572 N GLY A 160 -11.169 3.526 10.112 1.00 0.31 N ATOM 2573 CA GLY A 160 -12.614 3.581 9.979 1.00 0.41 C ATOM 2574 C GLY A 160 -13.157 2.651 8.908 1.00 0.35 C ATOM 2575 O GLY A 160 -14.261 2.852 8.408 1.00 0.42 O ATOM 0 H GLY A 160 -10.798 2.614 10.379 1.00 0.31 H new ATOM 0 HA2 GLY A 160 -13.069 3.326 10.936 1.00 0.41 H new ATOM 0 HA3 GLY A 160 -12.911 4.604 9.747 1.00 0.41 H new ATOM 2579 N LEU A 161 -12.394 1.629 8.558 1.00 0.38 N ATOM 2580 CA LEU A 161 -12.811 0.689 7.526 1.00 0.35 C ATOM 2581 C LEU A 161 -13.384 -0.584 8.129 1.00 0.37 C ATOM 2582 O LEU A 161 -13.356 -0.788 9.344 1.00 0.58 O ATOM 2583 CB LEU A 161 -11.635 0.350 6.626 1.00 0.32 C ATOM 2584 CG LEU A 161 -11.653 1.011 5.249 1.00 0.33 C ATOM 2585 CD1 LEU A 161 -10.229 1.312 4.816 1.00 0.39 C ATOM 2586 CD2 LEU A 161 -12.329 0.091 4.239 1.00 0.35 C ATOM 0 H LEU A 161 -11.484 1.428 8.971 1.00 0.38 H new ATOM 0 HA LEU A 161 -13.595 1.165 6.938 1.00 0.35 H new ATOM 0 HB2 LEU A 161 -10.715 0.636 7.136 1.00 0.32 H new ATOM 0 HB3 LEU A 161 -11.602 -0.731 6.491 1.00 0.32 H new ATOM 0 HG LEU A 161 -12.216 1.943 5.300 1.00 0.33 H new ATOM 0 HD11 LEU A 161 -10.240 1.784 3.833 1.00 0.39 H new ATOM 0 HD12 LEU A 161 -9.764 1.985 5.537 1.00 0.39 H new ATOM 0 HD13 LEU A 161 -9.660 0.384 4.767 1.00 0.39 H new ATOM 0 HD21 LEU A 161 -12.338 0.570 3.260 1.00 0.35 H new ATOM 0 HD22 LEU A 161 -11.780 -0.849 4.179 1.00 0.35 H new ATOM 0 HD23 LEU A 161 -13.353 -0.107 4.555 1.00 0.35 H new ATOM 2598 N LYS A 162 -13.908 -1.429 7.253 1.00 0.40 N ATOM 2599 CA LYS A 162 -14.638 -2.625 7.646 1.00 0.42 C ATOM 2600 C LYS A 162 -14.097 -3.811 6.866 1.00 0.36 C ATOM 2601 O LYS A 162 -13.568 -3.632 5.769 1.00 0.35 O ATOM 2602 CB LYS A 162 -16.145 -2.465 7.353 1.00 0.52 C ATOM 2603 CG LYS A 162 -16.855 -1.333 8.108 1.00 0.86 C ATOM 2604 CD LYS A 162 -16.403 0.055 7.656 1.00 0.93 C ATOM 2605 CE LYS A 162 -16.554 0.244 6.158 1.00 0.77 C ATOM 2606 NZ LYS A 162 -17.962 0.524 5.765 1.00 1.46 N ATOM 0 H LYS A 162 -13.838 -1.303 6.243 1.00 0.40 H new ATOM 0 HA LYS A 162 -14.508 -2.784 8.716 1.00 0.42 H new ATOM 0 HB2 LYS A 162 -16.272 -2.299 6.283 1.00 0.52 H new ATOM 0 HB3 LYS A 162 -16.644 -3.404 7.591 1.00 0.52 H new ATOM 0 HG2 LYS A 162 -17.931 -1.425 7.963 1.00 0.86 H new ATOM 0 HG3 LYS A 162 -16.667 -1.441 9.176 1.00 0.86 H new ATOM 0 HD2 LYS A 162 -16.987 0.814 8.177 1.00 0.93 H new ATOM 0 HD3 LYS A 162 -15.361 0.206 7.937 1.00 0.93 H new ATOM 0 HE2 LYS A 162 -15.917 1.066 5.831 1.00 0.77 H new ATOM 0 HE3 LYS A 162 -16.207 -0.652 5.644 1.00 0.77 H new ATOM 0 HZ1 LYS A 162 -18.017 0.646 4.734 1.00 1.46 H new ATOM 0 HZ2 LYS A 162 -18.567 -0.271 6.052 1.00 1.46 H new ATOM 0 HZ3 LYS A 162 -18.287 1.393 6.234 1.00 1.46 H new ATOM 2620 N ASP A 163 -14.241 -5.011 7.431 1.00 0.40 N ATOM 2621 CA ASP A 163 -13.789 -6.254 6.782 1.00 0.41 C ATOM 2622 C ASP A 163 -14.380 -6.393 5.387 1.00 0.39 C ATOM 2623 O ASP A 163 -13.828 -7.083 4.531 1.00 0.42 O ATOM 2624 CB ASP A 163 -14.185 -7.483 7.603 1.00 0.52 C ATOM 2625 CG ASP A 163 -13.637 -7.452 9.011 1.00 0.81 C ATOM 2626 OD1 ASP A 163 -12.398 -7.479 9.169 1.00 0.91 O ATOM 2627 OD2 ASP A 163 -14.433 -7.436 9.967 1.00 1.81 O ATOM 0 H ASP A 163 -14.671 -5.154 8.345 1.00 0.40 H new ATOM 0 HA ASP A 163 -12.703 -6.196 6.714 1.00 0.41 H new ATOM 0 HB2 ASP A 163 -15.272 -7.552 7.643 1.00 0.52 H new ATOM 0 HB3 ASP A 163 -13.827 -8.381 7.099 1.00 0.52 H new ATOM 2632 N ASN A 164 -15.504 -5.723 5.167 1.00 0.39 N ATOM 2633 CA ASN A 164 -16.175 -5.738 3.870 1.00 0.43 C ATOM 2634 C ASN A 164 -15.291 -5.128 2.791 1.00 0.38 C ATOM 2635 O ASN A 164 -15.531 -5.320 1.601 1.00 0.47 O ATOM 2636 CB ASN A 164 -17.508 -4.989 3.941 1.00 0.52 C ATOM 2637 CG ASN A 164 -18.540 -5.726 4.772 1.00 1.34 C ATOM 2638 OD1 ASN A 164 -18.617 -5.546 5.987 1.00 2.34 O ATOM 2639 ND2 ASN A 164 -19.345 -6.554 4.123 1.00 1.68 N ATOM 0 H ASN A 164 -15.974 -5.158 5.874 1.00 0.39 H new ATOM 0 HA ASN A 164 -16.371 -6.778 3.609 1.00 0.43 H new ATOM 0 HB2 ASN A 164 -17.343 -3.999 4.365 1.00 0.52 H new ATOM 0 HB3 ASN A 164 -17.894 -4.843 2.932 1.00 0.52 H new ATOM 0 HD21 ASN A 164 -20.062 -7.071 4.631 1.00 1.68 H new ATOM 0 HD22 ASN A 164 -19.248 -6.674 3.115 1.00 1.68 H new ATOM 2646 N ASN A 165 -14.267 -4.398 3.210 1.00 0.32 N ATOM 2647 CA ASN A 165 -13.299 -3.831 2.285 1.00 0.31 C ATOM 2648 C ASN A 165 -11.882 -4.176 2.730 1.00 0.26 C ATOM 2649 O ASN A 165 -10.955 -3.388 2.568 1.00 0.27 O ATOM 2650 CB ASN A 165 -13.462 -2.311 2.168 1.00 0.35 C ATOM 2651 CG ASN A 165 -14.813 -1.905 1.612 1.00 0.53 C ATOM 2652 OD1 ASN A 165 -15.778 -1.737 2.356 1.00 1.40 O ATOM 2653 ND2 ASN A 165 -14.885 -1.725 0.303 1.00 0.61 N ATOM 0 H ASN A 165 -14.086 -4.184 4.191 1.00 0.32 H new ATOM 0 HA ASN A 165 -13.481 -4.264 1.301 1.00 0.31 H new ATOM 0 HB2 ASN A 165 -13.328 -1.859 3.151 1.00 0.35 H new ATOM 0 HB3 ASN A 165 -12.676 -1.914 1.525 1.00 0.35 H new ATOM 0 HD21 ASN A 165 -15.765 -1.436 -0.124 1.00 0.61 H new ATOM 0 HD22 ASN A 165 -14.061 -1.875 -0.279 1.00 0.61 H new ATOM 2660 N ILE A 166 -11.724 -5.357 3.316 1.00 0.25 N ATOM 2661 CA ILE A 166 -10.410 -5.844 3.721 1.00 0.22 C ATOM 2662 C ILE A 166 -10.218 -7.274 3.235 1.00 0.24 C ATOM 2663 O ILE A 166 -10.904 -8.187 3.693 1.00 0.33 O ATOM 2664 CB ILE A 166 -10.232 -5.808 5.259 1.00 0.23 C ATOM 2665 CG1 ILE A 166 -10.563 -4.424 5.803 1.00 0.25 C ATOM 2666 CG2 ILE A 166 -8.811 -6.212 5.647 1.00 0.24 C ATOM 2667 CD1 ILE A 166 -10.531 -4.343 7.308 1.00 0.26 C ATOM 0 H ILE A 166 -12.491 -5.997 3.522 1.00 0.25 H new ATOM 0 HA ILE A 166 -9.665 -5.186 3.273 1.00 0.22 H new ATOM 0 HB ILE A 166 -10.923 -6.526 5.701 1.00 0.23 H new ATOM 0 HG12 ILE A 166 -9.855 -3.703 5.394 1.00 0.25 H new ATOM 0 HG13 ILE A 166 -11.553 -4.133 5.453 1.00 0.25 H new ATOM 0 HG21 ILE A 166 -8.707 -6.180 6.732 1.00 0.24 H new ATOM 0 HG22 ILE A 166 -8.611 -7.223 5.293 1.00 0.24 H new ATOM 0 HG23 ILE A 166 -8.100 -5.521 5.194 1.00 0.24 H new ATOM 0 HD11 ILE A 166 -10.776 -3.329 7.623 1.00 0.26 H new ATOM 0 HD12 ILE A 166 -11.259 -5.039 7.725 1.00 0.26 H new ATOM 0 HD13 ILE A 166 -9.535 -4.603 7.665 1.00 0.26 H new ATOM 2679 N VAL A 167 -9.308 -7.469 2.290 1.00 0.25 N ATOM 2680 CA VAL A 167 -9.030 -8.807 1.794 1.00 0.26 C ATOM 2681 C VAL A 167 -7.698 -9.300 2.352 1.00 0.26 C ATOM 2682 O VAL A 167 -6.981 -8.572 3.037 1.00 0.31 O ATOM 2683 CB VAL A 167 -9.007 -8.903 0.232 1.00 0.28 C ATOM 2684 CG1 VAL A 167 -9.910 -7.872 -0.429 1.00 0.57 C ATOM 2685 CG2 VAL A 167 -7.591 -8.810 -0.331 1.00 0.72 C ATOM 0 H VAL A 167 -8.757 -6.728 1.857 1.00 0.25 H new ATOM 0 HA VAL A 167 -9.850 -9.438 2.137 1.00 0.26 H new ATOM 0 HB VAL A 167 -9.401 -9.890 -0.008 1.00 0.28 H new ATOM 0 HG11 VAL A 167 -9.857 -7.983 -1.512 1.00 0.57 H new ATOM 0 HG12 VAL A 167 -10.938 -8.024 -0.099 1.00 0.57 H new ATOM 0 HG13 VAL A 167 -9.583 -6.870 -0.150 1.00 0.57 H new ATOM 0 HG21 VAL A 167 -7.626 -8.881 -1.418 1.00 0.72 H new ATOM 0 HG22 VAL A 167 -7.147 -7.857 -0.044 1.00 0.72 H new ATOM 0 HG23 VAL A 167 -6.987 -9.625 0.067 1.00 0.72 H new ATOM 2695 N PHE A 168 -7.379 -10.534 2.043 1.00 0.26 N ATOM 2696 CA PHE A 168 -6.116 -11.120 2.425 1.00 0.28 C ATOM 2697 C PHE A 168 -5.412 -11.553 1.158 1.00 0.30 C ATOM 2698 O PHE A 168 -5.965 -12.322 0.369 1.00 0.42 O ATOM 2699 CB PHE A 168 -6.319 -12.293 3.388 1.00 0.33 C ATOM 2700 CG PHE A 168 -6.985 -11.893 4.680 1.00 0.34 C ATOM 2701 CD1 PHE A 168 -6.304 -11.137 5.626 1.00 0.33 C ATOM 2702 CD2 PHE A 168 -8.291 -12.271 4.946 1.00 0.41 C ATOM 2703 CE1 PHE A 168 -6.918 -10.766 6.814 1.00 0.35 C ATOM 2704 CE2 PHE A 168 -8.907 -11.904 6.129 1.00 0.45 C ATOM 2705 CZ PHE A 168 -8.220 -11.152 7.062 1.00 0.40 C ATOM 0 H PHE A 168 -7.989 -11.161 1.519 1.00 0.26 H new ATOM 0 HA PHE A 168 -5.505 -10.392 2.958 1.00 0.28 H new ATOM 0 HB2 PHE A 168 -6.922 -13.057 2.897 1.00 0.33 H new ATOM 0 HB3 PHE A 168 -5.352 -12.744 3.610 1.00 0.33 H new ATOM 0 HD1 PHE A 168 -5.285 -10.835 5.435 1.00 0.33 H new ATOM 0 HD2 PHE A 168 -8.835 -12.859 4.221 1.00 0.41 H new ATOM 0 HE1 PHE A 168 -6.379 -10.177 7.542 1.00 0.35 H new ATOM 0 HE2 PHE A 168 -9.926 -12.206 6.323 1.00 0.45 H new ATOM 0 HZ PHE A 168 -8.701 -10.866 7.985 1.00 0.40 H new ATOM 2715 N SER A 169 -4.220 -11.019 0.954 1.00 0.48 N ATOM 2716 CA SER A 169 -3.528 -11.113 -0.320 1.00 0.63 C ATOM 2717 C SER A 169 -3.379 -12.545 -0.814 1.00 0.50 C ATOM 2718 O SER A 169 -2.639 -13.351 -0.245 1.00 0.66 O ATOM 2719 CB SER A 169 -2.171 -10.448 -0.204 1.00 1.01 C ATOM 2720 OG SER A 169 -2.309 -9.123 0.275 1.00 1.75 O ATOM 0 H SER A 169 -3.704 -10.507 1.669 1.00 0.48 H new ATOM 0 HA SER A 169 -4.138 -10.597 -1.062 1.00 0.63 H new ATOM 0 HB2 SER A 169 -1.535 -11.021 0.471 1.00 1.01 H new ATOM 0 HB3 SER A 169 -1.679 -10.440 -1.176 1.00 1.01 H new ATOM 0 HG SER A 169 -3.172 -8.759 -0.014 1.00 1.75 H new ATOM 2726 N VAL A 170 -4.110 -12.837 -1.875 1.00 0.46 N ATOM 2727 CA VAL A 170 -4.043 -14.119 -2.550 1.00 0.41 C ATOM 2728 C VAL A 170 -2.713 -14.276 -3.264 1.00 0.41 C ATOM 2729 O VAL A 170 -2.312 -13.401 -4.028 1.00 0.43 O ATOM 2730 CB VAL A 170 -5.173 -14.229 -3.593 1.00 0.47 C ATOM 2731 CG1 VAL A 170 -5.109 -15.539 -4.361 1.00 0.55 C ATOM 2732 CG2 VAL A 170 -6.520 -14.057 -2.923 1.00 0.57 C ATOM 0 H VAL A 170 -4.772 -12.185 -2.295 1.00 0.46 H new ATOM 0 HA VAL A 170 -4.150 -14.901 -1.798 1.00 0.41 H new ATOM 0 HB VAL A 170 -5.037 -13.428 -4.319 1.00 0.47 H new ATOM 0 HG11 VAL A 170 -5.923 -15.576 -5.085 1.00 0.55 H new ATOM 0 HG12 VAL A 170 -4.155 -15.608 -4.883 1.00 0.55 H new ATOM 0 HG13 VAL A 170 -5.204 -16.373 -3.666 1.00 0.55 H new ATOM 0 HG21 VAL A 170 -7.310 -14.137 -3.669 1.00 0.57 H new ATOM 0 HG22 VAL A 170 -6.653 -14.833 -2.169 1.00 0.57 H new ATOM 0 HG23 VAL A 170 -6.567 -13.077 -2.447 1.00 0.57 H new ATOM 2742 N PRO A 171 -2.000 -15.374 -3.007 1.00 0.47 N ATOM 2743 CA PRO A 171 -0.827 -15.736 -3.794 1.00 0.54 C ATOM 2744 C PRO A 171 -1.223 -15.944 -5.248 1.00 0.54 C ATOM 2745 O PRO A 171 -1.745 -16.998 -5.607 1.00 0.62 O ATOM 2746 CB PRO A 171 -0.350 -17.051 -3.169 1.00 0.66 C ATOM 2747 CG PRO A 171 -0.975 -17.092 -1.817 1.00 0.83 C ATOM 2748 CD PRO A 171 -2.270 -16.335 -1.929 1.00 0.57 C ATOM 0 HA PRO A 171 -0.053 -14.969 -3.786 1.00 0.54 H new ATOM 0 HB2 PRO A 171 -0.657 -17.907 -3.770 1.00 0.66 H new ATOM 0 HB3 PRO A 171 0.737 -17.083 -3.101 1.00 0.66 H new ATOM 0 HG2 PRO A 171 -1.151 -18.120 -1.501 1.00 0.83 H new ATOM 0 HG3 PRO A 171 -0.322 -16.637 -1.072 1.00 0.83 H new ATOM 0 HD2 PRO A 171 -3.103 -16.994 -2.175 1.00 0.57 H new ATOM 0 HD3 PRO A 171 -2.526 -15.833 -0.996 1.00 0.57 H new ATOM 2756 N THR A 172 -1.006 -14.931 -6.073 1.00 0.65 N ATOM 2757 CA THR A 172 -1.459 -14.978 -7.450 1.00 0.78 C ATOM 2758 C THR A 172 -0.690 -16.035 -8.224 1.00 0.73 C ATOM 2759 O THR A 172 0.485 -16.299 -7.952 1.00 0.72 O ATOM 2760 CB THR A 172 -1.326 -13.606 -8.150 1.00 1.07 C ATOM 2761 OG1 THR A 172 -2.002 -13.618 -9.416 1.00 1.78 O ATOM 2762 CG2 THR A 172 0.133 -13.219 -8.361 1.00 0.81 C ATOM 0 H THR A 172 -0.522 -14.072 -5.813 1.00 0.65 H new ATOM 0 HA THR A 172 -2.517 -15.240 -7.435 1.00 0.78 H new ATOM 0 HB THR A 172 -1.787 -12.866 -7.496 1.00 1.07 H new ATOM 0 HG1 THR A 172 -1.909 -12.742 -9.845 1.00 1.78 H new ATOM 0 HG21 THR A 172 0.184 -12.249 -8.856 1.00 0.81 H new ATOM 0 HG22 THR A 172 0.637 -13.162 -7.396 1.00 0.81 H new ATOM 0 HG23 THR A 172 0.622 -13.969 -8.982 1.00 0.81 H new ATOM 2770 N ASP A 173 -1.370 -16.650 -9.170 1.00 0.75 N ATOM 2771 CA ASP A 173 -0.769 -17.711 -9.956 1.00 0.80 C ATOM 2772 C ASP A 173 0.080 -17.106 -11.062 1.00 0.77 C ATOM 2773 O ASP A 173 -0.382 -16.914 -12.184 1.00 0.86 O ATOM 2774 CB ASP A 173 -1.851 -18.619 -10.544 1.00 0.99 C ATOM 2775 CG ASP A 173 -1.285 -19.777 -11.348 1.00 1.34 C ATOM 2776 OD1 ASP A 173 -0.570 -20.618 -10.764 1.00 1.94 O ATOM 2777 OD2 ASP A 173 -1.523 -19.837 -12.572 1.00 1.55 O ATOM 0 H ASP A 173 -2.337 -16.435 -9.414 1.00 0.75 H new ATOM 0 HA ASP A 173 -0.133 -18.317 -9.311 1.00 0.80 H new ATOM 0 HB2 ASP A 173 -2.466 -19.013 -9.735 1.00 0.99 H new ATOM 0 HB3 ASP A 173 -2.506 -18.027 -11.183 1.00 0.99 H new ATOM 2782 N GLN A 174 1.319 -16.806 -10.709 1.00 0.78 N ATOM 2783 CA GLN A 174 2.295 -16.225 -11.621 1.00 0.94 C ATOM 2784 C GLN A 174 3.641 -16.088 -10.937 1.00 0.89 C ATOM 2785 O GLN A 174 3.812 -16.476 -9.779 1.00 1.21 O ATOM 2786 CB GLN A 174 1.884 -14.823 -12.095 1.00 1.17 C ATOM 2787 CG GLN A 174 1.248 -14.774 -13.475 1.00 1.69 C ATOM 2788 CD GLN A 174 1.877 -15.746 -14.456 1.00 2.98 C ATOM 2789 OE1 GLN A 174 2.908 -15.294 -15.153 1.00 3.60 O flip ATOM 2790 NE2 GLN A 174 1.444 -16.889 -14.588 1.00 3.76 N flip ATOM 0 H GLN A 174 1.682 -16.961 -9.768 1.00 0.78 H new ATOM 0 HA GLN A 174 2.350 -16.898 -12.477 1.00 0.94 H new ATOM 0 HB2 GLN A 174 1.184 -14.402 -11.373 1.00 1.17 H new ATOM 0 HB3 GLN A 174 2.766 -14.182 -12.095 1.00 1.17 H new ATOM 0 HG2 GLN A 174 0.184 -14.994 -13.386 1.00 1.69 H new ATOM 0 HG3 GLN A 174 1.332 -13.762 -13.871 1.00 1.69 H new ATOM 0 HE21 GLN A 174 0.647 -17.200 -14.032 1.00 3.76 H new ATOM 0 HE22 GLN A 174 1.882 -17.526 -15.253 1.00 3.76 H new ATOM 2799 N CYS A 175 4.581 -15.533 -11.675 1.00 0.79 N ATOM 2800 CA CYS A 175 5.841 -15.083 -11.128 1.00 0.85 C ATOM 2801 C CYS A 175 5.619 -13.785 -10.361 1.00 1.02 C ATOM 2802 O CYS A 175 4.826 -12.942 -10.785 1.00 2.06 O ATOM 2803 CB CYS A 175 6.824 -14.874 -12.276 1.00 0.90 C ATOM 2804 SG CYS A 175 6.021 -14.913 -13.917 1.00 1.07 S ATOM 0 H CYS A 175 4.489 -15.381 -12.679 1.00 0.79 H new ATOM 0 HA CYS A 175 6.249 -15.824 -10.441 1.00 0.85 H new ATOM 0 HB2 CYS A 175 7.328 -13.916 -12.146 1.00 0.90 H new ATOM 0 HB3 CYS A 175 7.592 -15.646 -12.235 1.00 0.90 H new ATOM 2809 N ILE A 176 6.291 -13.631 -9.232 1.00 0.60 N ATOM 2810 CA ILE A 176 6.100 -12.458 -8.386 1.00 0.56 C ATOM 2811 C ILE A 176 7.317 -12.203 -7.497 1.00 0.80 C ATOM 2812 O ILE A 176 7.659 -11.056 -7.202 1.00 1.52 O ATOM 2813 CB ILE A 176 4.834 -12.609 -7.503 1.00 0.51 C ATOM 2814 CG1 ILE A 176 4.781 -11.500 -6.448 1.00 0.46 C ATOM 2815 CG2 ILE A 176 4.787 -13.984 -6.850 1.00 0.81 C ATOM 2816 CD1 ILE A 176 3.585 -11.578 -5.516 1.00 0.65 C ATOM 0 H ILE A 176 6.974 -14.301 -8.878 1.00 0.60 H new ATOM 0 HA ILE A 176 5.971 -11.603 -9.050 1.00 0.56 H new ATOM 0 HB ILE A 176 3.957 -12.514 -8.143 1.00 0.51 H new ATOM 0 HG12 ILE A 176 5.693 -11.538 -5.853 1.00 0.46 H new ATOM 0 HG13 ILE A 176 4.770 -10.534 -6.954 1.00 0.46 H new ATOM 0 HG21 ILE A 176 3.890 -14.065 -6.236 1.00 0.81 H new ATOM 0 HG22 ILE A 176 4.769 -14.753 -7.622 1.00 0.81 H new ATOM 0 HG23 ILE A 176 5.669 -14.120 -6.224 1.00 0.81 H new ATOM 0 HD11 ILE A 176 3.626 -10.756 -4.801 1.00 0.65 H new ATOM 0 HD12 ILE A 176 2.666 -11.508 -6.097 1.00 0.65 H new ATOM 0 HD13 ILE A 176 3.603 -12.526 -4.979 1.00 0.65 H new ATOM 2828 N ASP A 177 7.970 -13.277 -7.087 1.00 0.96 N ATOM 2829 CA ASP A 177 9.089 -13.191 -6.159 1.00 1.17 C ATOM 2830 C ASP A 177 10.300 -12.559 -6.832 1.00 1.20 C ATOM 2831 O ASP A 177 10.877 -13.125 -7.760 1.00 1.77 O ATOM 2832 CB ASP A 177 9.437 -14.583 -5.626 1.00 1.56 C ATOM 2833 CG ASP A 177 8.229 -15.281 -5.034 1.00 2.20 C ATOM 2834 OD1 ASP A 177 7.476 -15.930 -5.783 1.00 2.64 O ATOM 2835 OD2 ASP A 177 8.039 -15.206 -3.802 1.00 2.72 O ATOM 0 H ASP A 177 7.744 -14.226 -7.384 1.00 0.96 H new ATOM 0 HA ASP A 177 8.798 -12.557 -5.322 1.00 1.17 H new ATOM 0 HB2 ASP A 177 9.846 -15.189 -6.434 1.00 1.56 H new ATOM 0 HB3 ASP A 177 10.214 -14.497 -4.867 1.00 1.56 H new ATOM 2840 N ASN A 178 10.661 -11.373 -6.366 1.00 1.25 N ATOM 2841 CA ASN A 178 11.777 -10.631 -6.933 1.00 1.44 C ATOM 2842 C ASN A 178 13.083 -11.079 -6.294 1.00 1.68 C ATOM 2843 O ASN A 178 13.374 -10.632 -5.168 1.00 2.24 O ATOM 2844 CB ASN A 178 11.588 -9.131 -6.708 1.00 1.56 C ATOM 2845 CG ASN A 178 12.658 -8.293 -7.388 1.00 2.49 C ATOM 2846 OD1 ASN A 178 13.078 -7.261 -6.863 1.00 3.26 O ATOM 2847 ND2 ASN A 178 13.093 -8.714 -8.567 1.00 3.01 N ATOM 2848 OXT ASN A 178 13.807 -11.885 -6.910 1.00 1.94 O ATOM 0 H ASN A 178 10.194 -10.901 -5.592 1.00 1.25 H new ATOM 0 HA ASN A 178 11.813 -10.829 -8.004 1.00 1.44 H new ATOM 0 HB2 ASN A 178 10.608 -8.833 -7.081 1.00 1.56 H new ATOM 0 HB3 ASN A 178 11.598 -8.925 -5.638 1.00 1.56 H new ATOM 0 HD21 ASN A 178 13.799 -8.178 -9.071 1.00 3.01 H new ATOM 0 HD22 ASN A 178 12.721 -9.574 -8.970 1.00 3.01 H new TER 2855 ASN A 178