USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 973 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 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 129 THR OG1 : rot 180:sc= -0.296 USER MOD Set 2.1: A 91 GLN : amide:sc= -4.59 K(o=-5.2,f=-11!) USER MOD Set 2.2: A 95 GLN : amide:sc= -0.58 K(o=-5.2,f=-5.7) USER MOD Single : A 53 MET CE :methyl -159:sc= -0.146 (180deg=-0.832) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.015) USER MOD Single : A 57 HIS : no HE2:sc= -2.94 X(o=-2.9,f=-3.3!) USER MOD Single : A 58 HIS : no HD1:sc= -5.98! C(o=-6!,f=-5.6!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.351 F(o=-1.3,f=-0.35) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.616 X(o=-0.62,f=-0.15) USER MOD Single : A 64 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.062) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= 0.72 K(o=0.72,f=-7.4!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 122:sc= 0.756 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= -0.0818 (180deg=-0.0818) USER MOD Single : A 81 THR OG1 : rot -64:sc= 0.588 USER MOD Single : A 83 LYS NZ :NH3+ 170:sc= 0.702 (180deg=0.465) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.335 USER MOD Single : A 89 GLN : amide:sc= -1.51 K(o=-1.5,f=-8.3!) USER MOD Single : A 96 SER OG : rot 180:sc= -1.29 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -2.39 X(o=-2.4,f=-2.2) USER MOD Single : A 106 GLN : amide:sc= 0.0469 X(o=0.047,f=0) USER MOD Single : A 108 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0941) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 160:sc= -0.049 (180deg=-0.389) USER MOD Single : A 127 GLN :FLIP amide:sc= -0.0355 F(o=-1.2,f=-0.036) USER MOD Single : A 131 SER OG : rot 180:sc= -0.345 USER MOD Single : A 133 THR OG1 : rot 180:sc= -0.0604 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN :FLIP amide:sc= -0.448 F(o=-1.1,f=-0.45) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0.227 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 HIS :FLIP no HD1:sc= -2.32 F(o=-4.4!,f=-2.3) USER MOD Single : A 150 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.107) USER MOD Single : A 155 LYS NZ :NH3+ -168:sc= -0.0102 (180deg=-0.201) USER MOD Single : A 156 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 157 SER OG : rot 58:sc= 0.117 USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 159 SER OG : rot 180:sc= 0 USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 53 4.825 40.404 10.751 1.00 24.91 N ATOM 2 CA MET A 53 5.164 40.652 9.325 1.00 24.49 C ATOM 3 C MET A 53 6.277 39.719 8.860 1.00 23.92 C ATOM 4 O MET A 53 7.460 39.997 9.066 1.00 23.92 O ATOM 5 CB MET A 53 5.594 42.108 9.133 1.00 24.88 C ATOM 6 CG MET A 53 5.942 42.455 7.696 1.00 25.18 C ATOM 7 SD MET A 53 6.455 44.173 7.501 1.00 25.68 S ATOM 8 CE MET A 53 4.996 45.031 8.084 1.00 26.02 C ATOM 0 HA MET A 53 4.276 40.456 8.725 1.00 24.49 H new ATOM 0 HB2 MET A 53 4.791 42.763 9.472 1.00 24.88 H new ATOM 0 HB3 MET A 53 6.458 42.309 9.766 1.00 24.88 H new ATOM 0 HG2 MET A 53 6.742 41.800 7.352 1.00 25.18 H new ATOM 0 HG3 MET A 53 5.077 42.264 7.060 1.00 25.18 H new ATOM 0 HE1 MET A 53 4.992 46.049 7.694 1.00 26.02 H new ATOM 0 HE2 MET A 53 4.104 44.507 7.740 1.00 26.02 H new ATOM 0 HE3 MET A 53 5.002 45.060 9.174 1.00 26.02 H new ATOM 20 N ALA A 54 5.892 38.612 8.233 1.00 23.54 N ATOM 21 CA ALA A 54 6.859 37.638 7.740 1.00 23.07 C ATOM 22 C ALA A 54 6.519 37.195 6.321 1.00 22.89 C ATOM 23 O ALA A 54 5.575 36.435 6.106 1.00 22.69 O ATOM 24 CB ALA A 54 6.917 36.437 8.670 1.00 22.96 C ATOM 0 H ALA A 54 4.918 38.367 8.054 1.00 23.54 H new ATOM 0 HA ALA A 54 7.839 38.115 7.718 1.00 23.07 H new ATOM 0 HB1 ALA A 54 7.643 35.718 8.290 1.00 22.96 H new ATOM 0 HB2 ALA A 54 7.216 36.762 9.666 1.00 22.96 H new ATOM 0 HB3 ALA A 54 5.934 35.968 8.721 1.00 22.96 H new ATOM 30 N SER A 55 7.295 37.676 5.354 1.00 23.07 N ATOM 31 CA SER A 55 7.078 37.328 3.955 1.00 23.05 C ATOM 32 C SER A 55 8.193 37.888 3.076 1.00 23.06 C ATOM 33 O SER A 55 8.587 39.046 3.219 1.00 23.40 O ATOM 34 CB SER A 55 5.724 37.858 3.477 1.00 23.13 C ATOM 35 OG SER A 55 5.500 37.531 2.116 1.00 23.12 O ATOM 0 H SER A 55 8.080 38.308 5.514 1.00 23.07 H new ATOM 0 HA SER A 55 7.084 36.241 3.873 1.00 23.05 H new ATOM 0 HB2 SER A 55 4.928 37.437 4.091 1.00 23.13 H new ATOM 0 HB3 SER A 55 5.688 38.940 3.605 1.00 23.13 H new ATOM 0 HG SER A 55 4.628 37.879 1.835 1.00 23.12 H new ATOM 41 N HIS A 56 8.696 37.059 2.168 1.00 22.80 N ATOM 42 CA HIS A 56 9.765 37.470 1.267 1.00 22.91 C ATOM 43 C HIS A 56 10.093 36.365 0.268 1.00 22.44 C ATOM 44 O HIS A 56 10.237 36.618 -0.928 1.00 22.49 O ATOM 45 CB HIS A 56 11.018 37.839 2.063 1.00 23.53 C ATOM 46 CG HIS A 56 12.146 38.330 1.210 1.00 23.75 C ATOM 47 ND1 HIS A 56 12.484 39.658 1.075 1.00 24.10 N ATOM 48 CD2 HIS A 56 13.023 37.639 0.439 1.00 23.75 C ATOM 49 CE1 HIS A 56 13.533 39.732 0.243 1.00 24.30 C ATOM 50 NE2 HIS A 56 13.899 38.535 -0.171 1.00 24.11 N ATOM 0 H HIS A 56 8.380 36.098 2.037 1.00 22.80 H new ATOM 0 HA HIS A 56 9.422 38.344 0.714 1.00 22.91 H new ATOM 0 HB2 HIS A 56 10.762 38.609 2.791 1.00 23.53 H new ATOM 0 HB3 HIS A 56 11.351 36.967 2.625 1.00 23.53 H new ATOM 0 HD2 HIS A 56 13.040 36.566 0.317 1.00 23.75 H new ATOM 0 HE1 HIS A 56 14.015 40.653 -0.050 1.00 24.30 H new ATOM 0 HE2 HIS A 56 14.665 38.311 -0.806 1.00 24.11 H new ATOM 58 N HIS A 57 10.211 35.138 0.767 1.00 22.09 N ATOM 59 CA HIS A 57 10.523 33.997 -0.085 1.00 21.74 C ATOM 60 C HIS A 57 10.209 32.680 0.620 1.00 21.30 C ATOM 61 O HIS A 57 9.139 32.103 0.427 1.00 21.32 O ATOM 62 CB HIS A 57 11.997 34.038 -0.498 1.00 21.85 C ATOM 63 CG HIS A 57 12.445 32.826 -1.254 1.00 22.13 C ATOM 64 ND1 HIS A 57 12.494 32.752 -2.630 1.00 22.32 N ATOM 65 CD2 HIS A 57 12.877 31.623 -0.800 1.00 22.36 C ATOM 66 CE1 HIS A 57 12.942 31.533 -2.960 1.00 22.67 C ATOM 67 NE2 HIS A 57 13.191 30.810 -1.885 1.00 22.70 N ATOM 0 H HIS A 57 10.095 34.910 1.754 1.00 22.09 H new ATOM 0 HA HIS A 57 9.900 34.058 -0.977 1.00 21.74 H new ATOM 0 HB2 HIS A 57 12.168 34.922 -1.112 1.00 21.85 H new ATOM 0 HB3 HIS A 57 12.612 34.146 0.395 1.00 21.85 H new ATOM 0 HD1 HIS A 57 12.235 33.493 -3.281 1.00 22.32 H new ATOM 0 HD2 HIS A 57 12.964 31.341 0.239 1.00 22.36 H new ATOM 0 HE1 HIS A 57 13.081 31.187 -3.974 1.00 22.67 H new ATOM 75 N HIS A 58 11.149 32.207 1.435 1.00 21.02 N ATOM 76 CA HIS A 58 10.977 30.956 2.172 1.00 20.71 C ATOM 77 C HIS A 58 10.379 29.862 1.290 1.00 20.26 C ATOM 78 O HIS A 58 9.173 29.617 1.319 1.00 20.17 O ATOM 79 CB HIS A 58 10.093 31.178 3.402 1.00 20.86 C ATOM 80 CG HIS A 58 8.721 31.677 3.073 1.00 21.10 C ATOM 81 ND1 HIS A 58 7.610 30.868 2.982 1.00 21.53 N ATOM 82 CD2 HIS A 58 8.286 32.938 2.819 1.00 21.06 C ATOM 83 CE1 HIS A 58 6.560 31.644 2.681 1.00 21.74 C ATOM 84 NE2 HIS A 58 6.917 32.909 2.571 1.00 21.47 N ATOM 0 H HIS A 58 12.041 32.673 1.603 1.00 21.02 H new ATOM 0 HA HIS A 58 11.965 30.626 2.495 1.00 20.71 H new ATOM 0 HB2 HIS A 58 10.007 30.240 3.951 1.00 20.86 H new ATOM 0 HB3 HIS A 58 10.581 31.892 4.065 1.00 20.86 H new ATOM 0 HD2 HIS A 58 8.905 33.823 2.811 1.00 21.06 H new ATOM 0 HE1 HIS A 58 5.552 31.281 2.546 1.00 21.74 H new ATOM 0 HE2 HIS A 58 6.314 33.702 2.350 1.00 21.47 H new ATOM 92 N HIS A 59 11.232 29.210 0.507 1.00 20.09 N ATOM 93 CA HIS A 59 10.793 28.140 -0.381 1.00 19.79 C ATOM 94 C HIS A 59 11.529 26.842 -0.066 1.00 19.14 C ATOM 95 O HIS A 59 10.936 25.886 0.435 1.00 19.37 O ATOM 96 CB HIS A 59 11.024 28.531 -1.842 1.00 20.49 C ATOM 97 CG HIS A 59 10.590 27.481 -2.817 1.00 20.85 C ATOM 98 ND1 HIS A 59 11.050 26.218 -3.004 1.00 21.32 N flip ATOM 99 CD2 HIS A 59 9.586 27.660 -3.743 1.00 20.93 C flip ATOM 100 CE1 HIS A 59 10.337 25.619 -4.037 1.00 21.65 C flip ATOM 101 NE2 HIS A 59 9.471 26.526 -4.447 1.00 21.44 N flip ATOM 0 H HIS A 59 12.233 29.404 0.469 1.00 20.09 H new ATOM 0 HA HIS A 59 9.726 27.982 -0.222 1.00 19.79 H new ATOM 0 HB2 HIS A 59 10.486 29.455 -2.052 1.00 20.49 H new ATOM 0 HB3 HIS A 59 12.084 28.738 -1.991 1.00 20.49 H new ATOM 0 HD2 HIS A 59 8.997 28.555 -3.877 1.00 20.93 H new ATOM 0 HE1 HIS A 59 10.466 24.619 -4.423 1.00 21.65 H new ATOM 0 HE2 HIS A 59 8.801 26.382 -5.202 1.00 21.44 H new ATOM 109 N HIS A 60 12.824 26.814 -0.366 1.00 18.42 N ATOM 110 CA HIS A 60 13.642 25.635 -0.109 1.00 17.86 C ATOM 111 C HIS A 60 14.199 25.667 1.309 1.00 17.05 C ATOM 112 O HIS A 60 14.456 24.625 1.912 1.00 16.89 O ATOM 113 CB HIS A 60 14.789 25.553 -1.119 1.00 18.20 C ATOM 114 CG HIS A 60 15.611 24.309 -0.989 1.00 18.60 C ATOM 115 ND1 HIS A 60 16.967 24.305 -0.750 1.00 18.99 N ATOM 116 CD2 HIS A 60 15.243 23.003 -1.073 1.00 18.81 C ATOM 117 CE1 HIS A 60 17.373 23.029 -0.699 1.00 19.40 C ATOM 118 NE2 HIS A 60 16.364 22.199 -0.889 1.00 19.32 N ATOM 0 H HIS A 60 13.329 27.594 -0.787 1.00 18.42 H new ATOM 0 HA HIS A 60 13.012 24.752 -0.216 1.00 17.86 H new ATOM 0 HB2 HIS A 60 14.379 25.604 -2.128 1.00 18.20 H new ATOM 0 HB3 HIS A 60 15.436 26.421 -0.993 1.00 18.20 H new ATOM 0 HD2 HIS A 60 14.240 22.646 -1.254 1.00 18.81 H new ATOM 0 HE1 HIS A 60 18.393 22.720 -0.525 1.00 19.40 H new ATOM 0 HE2 HIS A 60 16.399 21.180 -0.899 1.00 19.32 H new ATOM 126 N HIS A 61 14.383 26.874 1.836 1.00 16.68 N ATOM 127 CA HIS A 61 14.906 27.046 3.186 1.00 16.03 C ATOM 128 C HIS A 61 13.921 26.512 4.218 1.00 15.50 C ATOM 129 O HIS A 61 12.741 26.316 3.921 1.00 15.70 O ATOM 130 CB HIS A 61 15.198 28.522 3.458 1.00 16.11 C ATOM 131 CG HIS A 61 16.259 29.093 2.570 1.00 16.10 C ATOM 132 ND1 HIS A 61 17.001 30.210 2.881 1.00 16.22 N ATOM 133 CD2 HIS A 61 16.698 28.678 1.354 1.00 16.16 C ATOM 134 CE1 HIS A 61 17.848 30.436 1.867 1.00 16.34 C ATOM 135 NE2 HIS A 61 17.705 29.534 0.916 1.00 16.32 N ATOM 0 H HIS A 61 14.178 27.746 1.349 1.00 16.68 H new ATOM 0 HA HIS A 61 15.834 26.480 3.266 1.00 16.03 H new ATOM 0 HB2 HIS A 61 14.280 29.096 3.330 1.00 16.11 H new ATOM 0 HB3 HIS A 61 15.504 28.638 4.498 1.00 16.11 H new ATOM 0 HD2 HIS A 61 16.326 27.821 0.813 1.00 16.16 H new ATOM 0 HE1 HIS A 61 18.556 31.251 1.833 1.00 16.34 H new ATOM 0 HE2 HIS A 61 18.225 29.475 0.040 1.00 16.32 H new ATOM 143 N LEU A 62 14.408 26.279 5.431 1.00 14.99 N ATOM 144 CA LEU A 62 13.568 25.764 6.507 1.00 14.60 C ATOM 145 C LEU A 62 13.219 24.298 6.262 1.00 13.91 C ATOM 146 O LEU A 62 13.562 23.428 7.063 1.00 13.93 O ATOM 147 CB LEU A 62 12.287 26.596 6.630 1.00 14.79 C ATOM 148 CG LEU A 62 11.571 26.498 7.980 1.00 14.94 C ATOM 149 CD1 LEU A 62 11.320 25.047 8.354 1.00 14.99 C ATOM 150 CD2 LEU A 62 12.381 27.198 9.062 1.00 15.13 C ATOM 0 H LEU A 62 15.380 26.438 5.695 1.00 14.99 H new ATOM 0 HA LEU A 62 14.126 25.837 7.440 1.00 14.60 H new ATOM 0 HB2 LEU A 62 12.533 27.641 6.443 1.00 14.79 H new ATOM 0 HB3 LEU A 62 11.595 26.286 5.847 1.00 14.79 H new ATOM 0 HG LEU A 62 10.606 26.997 7.893 1.00 14.94 H new ATOM 0 HD11 LEU A 62 10.810 25.002 9.317 1.00 14.99 H new ATOM 0 HD12 LEU A 62 10.698 24.577 7.592 1.00 14.99 H new ATOM 0 HD13 LEU A 62 12.271 24.519 8.422 1.00 14.99 H new ATOM 0 HD21 LEU A 62 11.859 27.120 10.016 1.00 15.13 H new ATOM 0 HD22 LEU A 62 13.361 26.727 9.145 1.00 15.13 H new ATOM 0 HD23 LEU A 62 12.504 28.249 8.801 1.00 15.13 H new ATOM 162 N ASP A 63 12.532 24.031 5.155 1.00 13.47 N ATOM 163 CA ASP A 63 12.142 22.669 4.809 1.00 12.95 C ATOM 164 C ASP A 63 11.182 22.101 5.848 1.00 12.15 C ATOM 165 O ASP A 63 11.603 21.477 6.822 1.00 12.16 O ATOM 166 CB ASP A 63 13.378 21.776 4.693 1.00 13.16 C ATOM 167 CG ASP A 63 14.305 22.212 3.576 1.00 13.28 C ATOM 168 OD1 ASP A 63 15.164 23.085 3.823 1.00 13.56 O ATOM 169 OD2 ASP A 63 14.172 21.683 2.453 1.00 13.24 O ATOM 0 H ASP A 63 12.235 24.739 4.484 1.00 13.47 H new ATOM 0 HA ASP A 63 11.632 22.695 3.846 1.00 12.95 H new ATOM 0 HB2 ASP A 63 13.921 21.788 5.638 1.00 13.16 H new ATOM 0 HB3 ASP A 63 13.064 20.747 4.520 1.00 13.16 H new ATOM 174 N GLN A 64 9.889 22.319 5.632 1.00 11.63 N ATOM 175 CA GLN A 64 8.868 21.834 6.552 1.00 11.01 C ATOM 176 C GLN A 64 8.136 20.627 5.972 1.00 9.93 C ATOM 177 O GLN A 64 7.581 19.814 6.710 1.00 9.78 O ATOM 178 CB GLN A 64 7.867 22.949 6.864 1.00 11.60 C ATOM 179 CG GLN A 64 6.873 22.586 7.955 1.00 11.93 C ATOM 180 CD GLN A 64 7.539 22.373 9.301 1.00 12.54 C ATOM 181 OE1 GLN A 64 7.695 23.308 10.085 1.00 13.16 O ATOM 182 NE2 GLN A 64 7.937 21.135 9.575 1.00 12.56 N ATOM 0 H GLN A 64 9.524 22.829 4.827 1.00 11.63 H new ATOM 0 HA GLN A 64 9.362 21.525 7.473 1.00 11.01 H new ATOM 0 HB2 GLN A 64 8.413 23.843 7.165 1.00 11.60 H new ATOM 0 HB3 GLN A 64 7.320 23.200 5.955 1.00 11.60 H new ATOM 0 HG2 GLN A 64 6.129 23.378 8.043 1.00 11.93 H new ATOM 0 HG3 GLN A 64 6.340 21.679 7.669 1.00 11.93 H new ATOM 0 HE21 GLN A 64 7.788 20.389 8.895 1.00 12.56 H new ATOM 0 HE22 GLN A 64 8.392 20.931 10.465 1.00 12.56 H new ATOM 191 N GLN A 65 8.138 20.518 4.647 1.00 9.38 N ATOM 192 CA GLN A 65 7.473 19.411 3.970 1.00 8.48 C ATOM 193 C GLN A 65 7.891 18.072 4.578 1.00 7.33 C ATOM 194 O GLN A 65 9.066 17.859 4.875 1.00 7.14 O ATOM 195 CB GLN A 65 7.802 19.426 2.475 1.00 8.62 C ATOM 196 CG GLN A 65 7.083 18.348 1.680 1.00 8.27 C ATOM 197 CD GLN A 65 7.428 18.381 0.205 1.00 8.82 C ATOM 198 OE1 GLN A 65 8.374 17.729 -0.239 1.00 9.26 O ATOM 199 NE2 GLN A 65 6.660 19.144 -0.565 1.00 9.08 N ATOM 0 H GLN A 65 8.593 21.183 4.021 1.00 9.38 H new ATOM 0 HA GLN A 65 6.398 19.533 4.100 1.00 8.48 H new ATOM 0 HB2 GLN A 65 7.542 20.402 2.065 1.00 8.62 H new ATOM 0 HB3 GLN A 65 8.877 19.303 2.347 1.00 8.62 H new ATOM 0 HG2 GLN A 65 7.340 17.370 2.087 1.00 8.27 H new ATOM 0 HG3 GLN A 65 6.007 18.471 1.800 1.00 8.27 H new ATOM 0 HE21 GLN A 65 5.887 19.667 -0.155 1.00 9.08 H new ATOM 0 HE22 GLN A 65 6.844 19.206 -1.566 1.00 9.08 H new ATOM 208 N PRO A 66 6.931 17.152 4.772 1.00 6.81 N ATOM 209 CA PRO A 66 7.212 15.834 5.350 1.00 5.89 C ATOM 210 C PRO A 66 8.026 14.958 4.406 1.00 5.05 C ATOM 211 O PRO A 66 7.537 13.945 3.904 1.00 5.36 O ATOM 212 CB PRO A 66 5.821 15.238 5.574 1.00 6.09 C ATOM 213 CG PRO A 66 4.949 15.928 4.584 1.00 6.84 C ATOM 214 CD PRO A 66 5.503 17.319 4.442 1.00 7.40 C ATOM 0 HA PRO A 66 7.807 15.903 6.261 1.00 5.89 H new ATOM 0 HB2 PRO A 66 5.822 14.159 5.416 1.00 6.09 H new ATOM 0 HB3 PRO A 66 5.476 15.411 6.593 1.00 6.09 H new ATOM 0 HG2 PRO A 66 4.956 15.406 3.627 1.00 6.84 H new ATOM 0 HG3 PRO A 66 3.914 15.953 4.926 1.00 6.84 H new ATOM 0 HD2 PRO A 66 5.366 17.705 3.432 1.00 7.40 H new ATOM 0 HD3 PRO A 66 5.013 18.018 5.120 1.00 7.40 H new ATOM 222 N ALA A 67 9.272 15.356 4.168 1.00 4.40 N ATOM 223 CA ALA A 67 10.158 14.611 3.283 1.00 4.02 C ATOM 224 C ALA A 67 11.110 13.721 4.075 1.00 3.26 C ATOM 225 O ALA A 67 12.248 13.494 3.666 1.00 3.54 O ATOM 226 CB ALA A 67 10.942 15.568 2.398 1.00 4.69 C ATOM 0 H ALA A 67 9.690 16.192 4.577 1.00 4.40 H new ATOM 0 HA ALA A 67 9.544 13.967 2.653 1.00 4.02 H new ATOM 0 HB1 ALA A 67 11.600 15.000 1.741 1.00 4.69 H new ATOM 0 HB2 ALA A 67 10.250 16.157 1.796 1.00 4.69 H new ATOM 0 HB3 ALA A 67 11.538 16.234 3.021 1.00 4.69 H new ATOM 232 N ALA A 68 10.637 13.219 5.210 1.00 2.77 N ATOM 233 CA ALA A 68 11.450 12.353 6.057 1.00 2.41 C ATOM 234 C ALA A 68 11.510 10.937 5.497 1.00 2.14 C ATOM 235 O ALA A 68 12.527 10.520 4.943 1.00 2.43 O ATOM 236 CB ALA A 68 10.908 12.341 7.475 1.00 2.80 C ATOM 0 H ALA A 68 9.697 13.396 5.565 1.00 2.77 H new ATOM 0 HA ALA A 68 12.464 12.751 6.073 1.00 2.41 H new ATOM 0 HB1 ALA A 68 11.525 11.691 8.095 1.00 2.80 H new ATOM 0 HB2 ALA A 68 10.926 13.353 7.880 1.00 2.80 H new ATOM 0 HB3 ALA A 68 9.883 11.971 7.469 1.00 2.80 H new ATOM 242 N GLN A 69 10.412 10.199 5.641 1.00 1.87 N ATOM 243 CA GLN A 69 10.345 8.830 5.145 1.00 1.69 C ATOM 244 C GLN A 69 10.779 8.758 3.685 1.00 1.56 C ATOM 245 O GLN A 69 10.875 9.778 3.003 1.00 2.35 O ATOM 246 CB GLN A 69 8.929 8.263 5.295 1.00 1.76 C ATOM 247 CG GLN A 69 7.839 9.151 4.729 1.00 1.85 C ATOM 248 CD GLN A 69 7.290 10.133 5.745 1.00 2.36 C ATOM 249 OE1 GLN A 69 8.008 10.587 6.637 1.00 2.88 O ATOM 250 NE2 GLN A 69 6.010 10.463 5.621 1.00 2.89 N ATOM 0 H GLN A 69 9.560 10.526 6.096 1.00 1.87 H new ATOM 0 HA GLN A 69 11.029 8.228 5.744 1.00 1.69 H new ATOM 0 HB2 GLN A 69 8.884 7.293 4.800 1.00 1.76 H new ATOM 0 HB3 GLN A 69 8.729 8.091 6.353 1.00 1.76 H new ATOM 0 HG2 GLN A 69 8.233 9.702 3.875 1.00 1.85 H new ATOM 0 HG3 GLN A 69 7.026 8.527 4.358 1.00 1.85 H new ATOM 0 HE21 GLN A 69 5.451 10.063 4.867 1.00 2.89 H new ATOM 0 HE22 GLN A 69 5.586 11.116 6.280 1.00 2.89 H new ATOM 259 N ARG A 70 11.041 7.543 3.214 1.00 1.11 N ATOM 260 CA ARG A 70 11.466 7.332 1.836 1.00 0.97 C ATOM 261 C ARG A 70 10.460 6.470 1.085 1.00 0.85 C ATOM 262 O ARG A 70 10.823 5.479 0.451 1.00 1.09 O ATOM 263 CB ARG A 70 12.839 6.663 1.805 1.00 1.04 C ATOM 264 CG ARG A 70 12.852 5.297 2.454 1.00 1.14 C ATOM 265 CD ARG A 70 14.044 4.485 1.986 1.00 1.33 C ATOM 266 NE ARG A 70 15.256 4.809 2.733 1.00 1.94 N ATOM 267 CZ ARG A 70 16.458 4.328 2.428 1.00 2.37 C ATOM 268 NH1 ARG A 70 16.604 3.515 1.391 1.00 2.34 N ATOM 269 NH2 ARG A 70 17.513 4.662 3.158 1.00 3.26 N ATOM 0 H ARG A 70 10.966 6.689 3.767 1.00 1.11 H new ATOM 0 HA ARG A 70 11.526 8.304 1.347 1.00 0.97 H new ATOM 0 HB2 ARG A 70 13.167 6.569 0.770 1.00 1.04 H new ATOM 0 HB3 ARG A 70 13.560 7.305 2.311 1.00 1.04 H new ATOM 0 HG2 ARG A 70 12.884 5.406 3.538 1.00 1.14 H new ATOM 0 HG3 ARG A 70 11.930 4.768 2.214 1.00 1.14 H new ATOM 0 HD2 ARG A 70 13.824 3.423 2.095 1.00 1.33 H new ATOM 0 HD3 ARG A 70 14.213 4.668 0.925 1.00 1.33 H new ATOM 0 HE ARG A 70 15.177 5.438 3.532 1.00 1.94 H new ATOM 0 HH11 ARG A 70 15.794 3.258 0.826 1.00 2.34 H new ATOM 0 HH12 ARG A 70 17.526 3.147 1.158 1.00 2.34 H new ATOM 0 HH21 ARG A 70 17.404 5.289 3.955 1.00 3.26 H new ATOM 0 HH22 ARG A 70 18.434 4.292 2.923 1.00 3.26 H new ATOM 283 N THR A 71 9.196 6.859 1.160 1.00 0.63 N ATOM 284 CA THR A 71 8.126 6.126 0.492 1.00 0.51 C ATOM 285 C THR A 71 8.487 5.790 -0.950 1.00 0.45 C ATOM 286 O THR A 71 9.436 6.339 -1.510 1.00 0.58 O ATOM 287 CB THR A 71 6.808 6.919 0.503 1.00 0.52 C ATOM 288 OG1 THR A 71 7.054 8.289 0.164 1.00 0.62 O ATOM 289 CG2 THR A 71 6.142 6.834 1.866 1.00 0.60 C ATOM 0 H THR A 71 8.884 7.680 1.678 1.00 0.63 H new ATOM 0 HA THR A 71 7.994 5.200 1.051 1.00 0.51 H new ATOM 0 HB THR A 71 6.138 6.482 -0.238 1.00 0.52 H new ATOM 0 HG1 THR A 71 6.209 8.785 0.172 1.00 0.62 H new ATOM 0 HG21 THR A 71 5.212 7.402 1.852 1.00 0.60 H new ATOM 0 HG22 THR A 71 5.928 5.792 2.102 1.00 0.60 H new ATOM 0 HG23 THR A 71 6.808 7.248 2.623 1.00 0.60 H new ATOM 297 N TYR A 72 7.719 4.883 -1.545 1.00 0.37 N ATOM 298 CA TYR A 72 7.953 4.465 -2.922 1.00 0.35 C ATOM 299 C TYR A 72 6.757 4.793 -3.808 1.00 0.37 C ATOM 300 O TYR A 72 5.781 5.392 -3.356 1.00 0.55 O ATOM 301 CB TYR A 72 8.249 2.965 -2.979 1.00 0.36 C ATOM 302 CG TYR A 72 9.648 2.609 -2.528 1.00 0.44 C ATOM 303 CD1 TYR A 72 10.036 2.776 -1.205 1.00 0.69 C ATOM 304 CD2 TYR A 72 10.578 2.106 -3.428 1.00 0.49 C ATOM 305 CE1 TYR A 72 11.315 2.452 -0.792 1.00 0.79 C ATOM 306 CE2 TYR A 72 11.857 1.779 -3.022 1.00 0.59 C ATOM 307 CZ TYR A 72 12.221 1.954 -1.704 1.00 0.67 C ATOM 308 OH TYR A 72 13.494 1.630 -1.297 1.00 0.80 O ATOM 0 H TYR A 72 6.928 4.423 -1.094 1.00 0.37 H new ATOM 0 HA TYR A 72 8.817 5.015 -3.296 1.00 0.35 H new ATOM 0 HB2 TYR A 72 7.529 2.437 -2.354 1.00 0.36 H new ATOM 0 HB3 TYR A 72 8.104 2.613 -4.000 1.00 0.36 H new ATOM 0 HD1 TYR A 72 9.328 3.165 -0.488 1.00 0.69 H new ATOM 0 HD2 TYR A 72 10.297 1.968 -4.462 1.00 0.49 H new ATOM 0 HE1 TYR A 72 11.603 2.588 0.240 1.00 0.79 H new ATOM 0 HE2 TYR A 72 12.569 1.388 -3.734 1.00 0.59 H new ATOM 0 HH TYR A 72 13.669 0.686 -1.492 1.00 0.80 H new ATOM 318 N ALA A 73 6.838 4.393 -5.073 1.00 0.34 N ATOM 319 CA ALA A 73 5.765 4.648 -6.026 1.00 0.44 C ATOM 320 C ALA A 73 4.786 3.479 -6.086 1.00 0.40 C ATOM 321 O ALA A 73 3.574 3.668 -5.964 1.00 0.74 O ATOM 322 CB ALA A 73 6.344 4.925 -7.406 1.00 0.56 C ATOM 0 H ALA A 73 7.636 3.891 -5.462 1.00 0.34 H new ATOM 0 HA ALA A 73 5.215 5.526 -5.688 1.00 0.44 H new ATOM 0 HB1 ALA A 73 5.533 5.114 -8.110 1.00 0.56 H new ATOM 0 HB2 ALA A 73 6.995 5.798 -7.359 1.00 0.56 H new ATOM 0 HB3 ALA A 73 6.919 4.061 -7.739 1.00 0.56 H new ATOM 328 N LYS A 74 5.314 2.274 -6.272 1.00 0.27 N ATOM 329 CA LYS A 74 4.478 1.081 -6.352 1.00 0.25 C ATOM 330 C LYS A 74 5.208 -0.149 -5.816 1.00 0.21 C ATOM 331 O LYS A 74 6.435 -0.169 -5.724 1.00 0.23 O ATOM 332 CB LYS A 74 4.039 0.836 -7.799 1.00 0.32 C ATOM 333 CG LYS A 74 3.307 -0.483 -8.001 1.00 0.35 C ATOM 334 CD LYS A 74 2.926 -0.694 -9.455 1.00 0.50 C ATOM 335 CE LYS A 74 2.382 -2.096 -9.687 1.00 0.53 C ATOM 336 NZ LYS A 74 2.047 -2.334 -11.118 1.00 0.69 N ATOM 0 H LYS A 74 6.314 2.097 -6.370 1.00 0.27 H new ATOM 0 HA LYS A 74 3.598 1.251 -5.732 1.00 0.25 H new ATOM 0 HB2 LYS A 74 3.391 1.653 -8.116 1.00 0.32 H new ATOM 0 HB3 LYS A 74 4.917 0.857 -8.444 1.00 0.32 H new ATOM 0 HG2 LYS A 74 3.939 -1.306 -7.667 1.00 0.35 H new ATOM 0 HG3 LYS A 74 2.409 -0.500 -7.383 1.00 0.35 H new ATOM 0 HD2 LYS A 74 2.177 0.042 -9.747 1.00 0.50 H new ATOM 0 HD3 LYS A 74 3.798 -0.530 -10.089 1.00 0.50 H new ATOM 0 HE2 LYS A 74 3.119 -2.830 -9.360 1.00 0.53 H new ATOM 0 HE3 LYS A 74 1.491 -2.245 -9.076 1.00 0.53 H new ATOM 0 HZ1 LYS A 74 1.680 -3.300 -11.233 1.00 0.69 H new ATOM 0 HZ2 LYS A 74 1.325 -1.651 -11.424 1.00 0.69 H new ATOM 0 HZ3 LYS A 74 2.902 -2.217 -11.699 1.00 0.69 H new ATOM 350 N ALA A 75 4.434 -1.171 -5.463 1.00 0.21 N ATOM 351 CA ALA A 75 4.983 -2.419 -4.943 1.00 0.22 C ATOM 352 C ALA A 75 4.043 -3.579 -5.243 1.00 0.20 C ATOM 353 O ALA A 75 2.823 -3.430 -5.177 1.00 0.42 O ATOM 354 CB ALA A 75 5.225 -2.310 -3.445 1.00 0.33 C ATOM 0 H ALA A 75 3.416 -1.158 -5.529 1.00 0.21 H new ATOM 0 HA ALA A 75 5.937 -2.608 -5.436 1.00 0.22 H new ATOM 0 HB1 ALA A 75 5.634 -3.249 -3.073 1.00 0.33 H new ATOM 0 HB2 ALA A 75 5.931 -1.503 -3.248 1.00 0.33 H new ATOM 0 HB3 ALA A 75 4.283 -2.099 -2.939 1.00 0.33 H new ATOM 360 N ILE A 76 4.607 -4.736 -5.576 1.00 0.24 N ATOM 361 CA ILE A 76 3.795 -5.905 -5.887 1.00 0.21 C ATOM 362 C ILE A 76 4.195 -7.115 -5.060 1.00 0.22 C ATOM 363 O ILE A 76 5.378 -7.381 -4.844 1.00 0.27 O ATOM 364 CB ILE A 76 3.890 -6.287 -7.379 1.00 0.22 C ATOM 365 CG1 ILE A 76 3.504 -5.103 -8.261 1.00 0.22 C ATOM 366 CG2 ILE A 76 3.000 -7.488 -7.686 1.00 0.26 C ATOM 367 CD1 ILE A 76 3.462 -5.445 -9.733 1.00 0.26 C ATOM 0 H ILE A 76 5.614 -4.888 -5.637 1.00 0.24 H new ATOM 0 HA ILE A 76 2.770 -5.624 -5.644 1.00 0.21 H new ATOM 0 HB ILE A 76 4.923 -6.559 -7.595 1.00 0.22 H new ATOM 0 HG12 ILE A 76 2.526 -4.732 -7.953 1.00 0.22 H new ATOM 0 HG13 ILE A 76 4.216 -4.293 -8.103 1.00 0.22 H new ATOM 0 HG21 ILE A 76 3.082 -7.741 -8.743 1.00 0.26 H new ATOM 0 HG22 ILE A 76 3.317 -8.339 -7.084 1.00 0.26 H new ATOM 0 HG23 ILE A 76 1.964 -7.243 -7.451 1.00 0.26 H new ATOM 0 HD11 ILE A 76 3.181 -4.560 -10.304 1.00 0.26 H new ATOM 0 HD12 ILE A 76 4.445 -5.788 -10.055 1.00 0.26 H new ATOM 0 HD13 ILE A 76 2.729 -6.234 -9.902 1.00 0.26 H new ATOM 379 N LEU A 77 3.188 -7.841 -4.600 1.00 0.22 N ATOM 380 CA LEU A 77 3.398 -9.053 -3.831 1.00 0.25 C ATOM 381 C LEU A 77 3.060 -10.243 -4.719 1.00 0.23 C ATOM 382 O LEU A 77 1.910 -10.679 -4.785 1.00 0.26 O ATOM 383 CB LEU A 77 2.536 -9.049 -2.564 1.00 0.27 C ATOM 384 CG LEU A 77 2.551 -10.349 -1.757 1.00 0.30 C ATOM 385 CD1 LEU A 77 3.976 -10.767 -1.448 1.00 0.29 C ATOM 386 CD2 LEU A 77 1.756 -10.187 -0.471 1.00 0.33 C ATOM 0 H LEU A 77 2.207 -7.606 -4.750 1.00 0.22 H new ATOM 0 HA LEU A 77 4.438 -9.116 -3.510 1.00 0.25 H new ATOM 0 HB2 LEU A 77 2.871 -8.237 -1.919 1.00 0.27 H new ATOM 0 HB3 LEU A 77 1.507 -8.828 -2.846 1.00 0.27 H new ATOM 0 HG LEU A 77 2.084 -11.130 -2.356 1.00 0.30 H new ATOM 0 HD11 LEU A 77 3.967 -11.693 -0.874 1.00 0.29 H new ATOM 0 HD12 LEU A 77 4.520 -10.923 -2.380 1.00 0.29 H new ATOM 0 HD13 LEU A 77 4.467 -9.985 -0.868 1.00 0.29 H new ATOM 0 HD21 LEU A 77 1.777 -11.121 0.090 1.00 0.33 H new ATOM 0 HD22 LEU A 77 2.196 -9.392 0.131 1.00 0.33 H new ATOM 0 HD23 LEU A 77 0.724 -9.932 -0.711 1.00 0.33 H new ATOM 398 N GLU A 78 4.070 -10.739 -5.427 1.00 0.23 N ATOM 399 CA GLU A 78 3.891 -11.851 -6.346 1.00 0.24 C ATOM 400 C GLU A 78 3.961 -13.197 -5.633 1.00 0.23 C ATOM 401 O GLU A 78 5.040 -13.685 -5.295 1.00 0.34 O ATOM 402 CB GLU A 78 4.941 -11.778 -7.448 1.00 0.27 C ATOM 403 CG GLU A 78 4.811 -10.539 -8.324 1.00 0.29 C ATOM 404 CD GLU A 78 5.899 -10.452 -9.376 1.00 0.36 C ATOM 405 OE1 GLU A 78 6.961 -9.862 -9.084 1.00 0.67 O ATOM 406 OE2 GLU A 78 5.690 -10.974 -10.491 1.00 0.69 O ATOM 0 H GLU A 78 5.025 -10.384 -5.379 1.00 0.23 H new ATOM 0 HA GLU A 78 2.896 -11.770 -6.783 1.00 0.24 H new ATOM 0 HB2 GLU A 78 5.933 -11.793 -6.996 1.00 0.27 H new ATOM 0 HB3 GLU A 78 4.863 -12.667 -8.074 1.00 0.27 H new ATOM 0 HG2 GLU A 78 3.837 -10.545 -8.814 1.00 0.29 H new ATOM 0 HG3 GLU A 78 4.846 -9.649 -7.696 1.00 0.29 H new ATOM 413 N VAL A 79 2.791 -13.776 -5.407 1.00 0.17 N ATOM 414 CA VAL A 79 2.673 -15.074 -4.751 1.00 0.18 C ATOM 415 C VAL A 79 1.805 -16.022 -5.571 1.00 0.19 C ATOM 416 O VAL A 79 1.255 -15.640 -6.603 1.00 0.34 O ATOM 417 CB VAL A 79 2.065 -14.955 -3.336 1.00 0.21 C ATOM 418 CG1 VAL A 79 3.153 -14.756 -2.295 1.00 0.45 C ATOM 419 CG2 VAL A 79 1.046 -13.824 -3.276 1.00 0.48 C ATOM 0 H VAL A 79 1.897 -13.362 -5.672 1.00 0.17 H new ATOM 0 HA VAL A 79 3.685 -15.470 -4.669 1.00 0.18 H new ATOM 0 HB VAL A 79 1.548 -15.888 -3.112 1.00 0.21 H new ATOM 0 HG11 VAL A 79 2.700 -14.675 -1.307 1.00 0.45 H new ATOM 0 HG12 VAL A 79 3.834 -15.607 -2.313 1.00 0.45 H new ATOM 0 HG13 VAL A 79 3.706 -13.843 -2.517 1.00 0.45 H new ATOM 0 HG21 VAL A 79 0.632 -13.760 -2.270 1.00 0.48 H new ATOM 0 HG22 VAL A 79 1.533 -12.882 -3.528 1.00 0.48 H new ATOM 0 HG23 VAL A 79 0.243 -14.019 -3.987 1.00 0.48 H new ATOM 429 N CYS A 80 1.696 -17.263 -5.111 1.00 0.30 N ATOM 430 CA CYS A 80 0.881 -18.262 -5.794 1.00 0.34 C ATOM 431 C CYS A 80 0.041 -19.073 -4.803 1.00 0.33 C ATOM 432 O CYS A 80 -0.607 -20.046 -5.185 1.00 0.39 O ATOM 433 CB CYS A 80 1.765 -19.207 -6.604 1.00 0.43 C ATOM 434 SG CYS A 80 2.840 -20.272 -5.591 1.00 0.63 S ATOM 0 H CYS A 80 2.161 -17.602 -4.269 1.00 0.30 H new ATOM 0 HA CYS A 80 0.206 -17.730 -6.464 1.00 0.34 H new ATOM 0 HB2 CYS A 80 1.130 -19.837 -7.226 1.00 0.43 H new ATOM 0 HB3 CYS A 80 2.387 -18.617 -7.278 1.00 0.43 H new ATOM 439 N THR A 81 0.063 -18.673 -3.532 1.00 0.31 N ATOM 440 CA THR A 81 -0.687 -19.364 -2.492 1.00 0.36 C ATOM 441 C THR A 81 -0.292 -20.837 -2.384 1.00 0.40 C ATOM 442 O THR A 81 -1.014 -21.634 -1.785 1.00 0.50 O ATOM 443 CB THR A 81 -2.202 -19.272 -2.724 1.00 0.48 C ATOM 444 OG1 THR A 81 -2.592 -20.134 -3.800 1.00 0.57 O ATOM 445 CG2 THR A 81 -2.615 -17.842 -3.038 1.00 0.60 C ATOM 0 H THR A 81 0.596 -17.869 -3.200 1.00 0.31 H new ATOM 0 HA THR A 81 -0.436 -18.860 -1.559 1.00 0.36 H new ATOM 0 HB THR A 81 -2.704 -19.588 -1.810 1.00 0.48 H new ATOM 0 HG1 THR A 81 -2.173 -19.829 -4.632 1.00 0.57 H new ATOM 0 HG21 THR A 81 -3.692 -17.801 -3.199 1.00 0.60 H new ATOM 0 HG22 THR A 81 -2.348 -17.194 -2.203 1.00 0.60 H new ATOM 0 HG23 THR A 81 -2.101 -17.504 -3.938 1.00 0.60 H new ATOM 453 N CYS A 82 0.849 -21.195 -2.963 1.00 0.39 N ATOM 454 CA CYS A 82 1.331 -22.567 -2.908 1.00 0.49 C ATOM 455 C CYS A 82 1.983 -22.834 -1.555 1.00 0.40 C ATOM 456 O CYS A 82 2.049 -23.974 -1.094 1.00 0.41 O ATOM 457 CB CYS A 82 2.344 -22.818 -4.024 1.00 0.64 C ATOM 458 SG CYS A 82 1.894 -22.068 -5.621 1.00 0.49 S ATOM 0 H CYS A 82 1.455 -20.554 -3.475 1.00 0.39 H new ATOM 0 HA CYS A 82 0.484 -23.240 -3.040 1.00 0.49 H new ATOM 0 HB2 CYS A 82 3.314 -22.430 -3.713 1.00 0.64 H new ATOM 0 HB3 CYS A 82 2.460 -23.893 -4.160 1.00 0.64 H new ATOM 463 N LYS A 83 2.463 -21.764 -0.930 1.00 0.34 N ATOM 464 CA LYS A 83 3.120 -21.858 0.372 1.00 0.30 C ATOM 465 C LYS A 83 2.123 -21.770 1.528 1.00 0.26 C ATOM 466 O LYS A 83 2.513 -21.568 2.677 1.00 0.29 O ATOM 467 CB LYS A 83 4.186 -20.765 0.524 1.00 0.34 C ATOM 468 CG LYS A 83 3.887 -19.475 -0.234 1.00 0.67 C ATOM 469 CD LYS A 83 2.540 -18.875 0.151 1.00 0.32 C ATOM 470 CE LYS A 83 2.469 -18.569 1.636 1.00 0.92 C ATOM 471 NZ LYS A 83 1.107 -18.131 2.052 1.00 1.17 N ATOM 0 H LYS A 83 2.410 -20.817 -1.305 1.00 0.34 H new ATOM 0 HA LYS A 83 3.597 -22.837 0.414 1.00 0.30 H new ATOM 0 HB2 LYS A 83 4.299 -20.531 1.583 1.00 0.34 H new ATOM 0 HB3 LYS A 83 5.143 -21.159 0.181 1.00 0.34 H new ATOM 0 HG2 LYS A 83 4.675 -18.749 -0.036 1.00 0.67 H new ATOM 0 HG3 LYS A 83 3.900 -19.675 -1.305 1.00 0.67 H new ATOM 0 HD2 LYS A 83 2.372 -17.961 -0.418 1.00 0.32 H new ATOM 0 HD3 LYS A 83 1.742 -19.568 -0.117 1.00 0.32 H new ATOM 0 HE2 LYS A 83 2.753 -19.456 2.203 1.00 0.92 H new ATOM 0 HE3 LYS A 83 3.191 -17.790 1.880 1.00 0.92 H new ATOM 0 HZ1 LYS A 83 1.056 -18.096 3.090 1.00 1.17 H new ATOM 0 HZ2 LYS A 83 0.912 -17.186 1.663 1.00 1.17 H new ATOM 0 HZ3 LYS A 83 0.401 -18.805 1.693 1.00 1.17 H new ATOM 485 N PHE A 84 0.840 -21.933 1.225 1.00 0.30 N ATOM 486 CA PHE A 84 -0.198 -21.869 2.247 1.00 0.36 C ATOM 487 C PHE A 84 0.131 -22.769 3.436 1.00 0.33 C ATOM 488 O PHE A 84 -0.341 -22.537 4.550 1.00 0.39 O ATOM 489 CB PHE A 84 -1.547 -22.274 1.652 1.00 0.47 C ATOM 490 CG PHE A 84 -2.707 -21.581 2.299 1.00 0.69 C ATOM 491 CD1 PHE A 84 -2.834 -20.207 2.211 1.00 1.22 C ATOM 492 CD2 PHE A 84 -3.668 -22.299 2.994 1.00 1.07 C ATOM 493 CE1 PHE A 84 -3.898 -19.555 2.805 1.00 1.61 C ATOM 494 CE2 PHE A 84 -4.735 -21.654 3.590 1.00 1.49 C ATOM 495 CZ PHE A 84 -4.850 -20.281 3.496 1.00 1.62 C ATOM 0 H PHE A 84 0.494 -22.110 0.282 1.00 0.30 H new ATOM 0 HA PHE A 84 -0.250 -20.840 2.604 1.00 0.36 H new ATOM 0 HB2 PHE A 84 -1.548 -22.052 0.585 1.00 0.47 H new ATOM 0 HB3 PHE A 84 -1.673 -23.352 1.753 1.00 0.47 H new ATOM 0 HD1 PHE A 84 -2.093 -19.636 1.671 1.00 1.22 H new ATOM 0 HD2 PHE A 84 -3.582 -23.373 3.070 1.00 1.07 H new ATOM 0 HE1 PHE A 84 -3.985 -18.481 2.730 1.00 1.61 H new ATOM 0 HE2 PHE A 84 -5.478 -22.223 4.129 1.00 1.49 H new ATOM 0 HZ PHE A 84 -5.683 -19.775 3.962 1.00 1.62 H new ATOM 505 N ARG A 85 0.942 -23.796 3.197 1.00 0.30 N ATOM 506 CA ARG A 85 1.319 -24.733 4.251 1.00 0.32 C ATOM 507 C ARG A 85 2.536 -24.244 5.025 1.00 0.32 C ATOM 508 O ARG A 85 2.534 -24.215 6.255 1.00 0.40 O ATOM 509 CB ARG A 85 1.618 -26.104 3.656 1.00 0.38 C ATOM 510 CG ARG A 85 1.576 -27.225 4.680 1.00 0.53 C ATOM 511 CD ARG A 85 0.184 -27.396 5.269 1.00 1.40 C ATOM 512 NE ARG A 85 0.138 -28.455 6.274 1.00 1.83 N ATOM 513 CZ ARG A 85 -0.986 -28.893 6.831 1.00 2.64 C ATOM 514 NH1 ARG A 85 -2.153 -28.380 6.467 1.00 3.21 N ATOM 515 NH2 ARG A 85 -0.944 -29.848 7.749 1.00 3.28 N ATOM 0 H ARG A 85 1.350 -24.000 2.285 1.00 0.30 H new ATOM 0 HA ARG A 85 0.478 -24.805 4.940 1.00 0.32 H new ATOM 0 HB2 ARG A 85 0.897 -26.315 2.867 1.00 0.38 H new ATOM 0 HB3 ARG A 85 2.603 -26.083 3.190 1.00 0.38 H new ATOM 0 HG2 ARG A 85 1.890 -28.158 4.212 1.00 0.53 H new ATOM 0 HG3 ARG A 85 2.286 -27.015 5.480 1.00 0.53 H new ATOM 0 HD2 ARG A 85 -0.137 -26.456 5.719 1.00 1.40 H new ATOM 0 HD3 ARG A 85 -0.522 -27.624 4.470 1.00 1.40 H new ATOM 0 HE ARG A 85 1.018 -28.882 6.564 1.00 1.83 H new ATOM 0 HH11 ARG A 85 -2.189 -27.648 5.758 1.00 3.21 H new ATOM 0 HH12 ARG A 85 -3.015 -28.718 6.896 1.00 3.21 H new ATOM 0 HH21 ARG A 85 -0.048 -30.248 8.029 1.00 3.28 H new ATOM 0 HH22 ARG A 85 -1.808 -30.183 8.176 1.00 3.28 H new ATOM 529 N ALA A 86 3.578 -23.870 4.293 1.00 0.29 N ATOM 530 CA ALA A 86 4.815 -23.397 4.901 1.00 0.33 C ATOM 531 C ALA A 86 4.658 -22.008 5.505 1.00 0.29 C ATOM 532 O ALA A 86 4.966 -21.793 6.678 1.00 0.33 O ATOM 533 CB ALA A 86 5.931 -23.398 3.871 1.00 0.40 C ATOM 0 H ALA A 86 3.591 -23.885 3.273 1.00 0.29 H new ATOM 0 HA ALA A 86 5.067 -24.079 5.713 1.00 0.33 H new ATOM 0 HB1 ALA A 86 6.852 -23.043 4.333 1.00 0.40 H new ATOM 0 HB2 ALA A 86 6.079 -24.411 3.496 1.00 0.40 H new ATOM 0 HB3 ALA A 86 5.663 -22.741 3.044 1.00 0.40 H new ATOM 539 N TYR A 87 4.179 -21.066 4.701 1.00 0.25 N ATOM 540 CA TYR A 87 3.994 -19.694 5.161 1.00 0.23 C ATOM 541 C TYR A 87 2.507 -19.349 5.233 1.00 0.22 C ATOM 542 O TYR A 87 2.034 -18.455 4.530 1.00 0.19 O ATOM 543 CB TYR A 87 4.719 -18.705 4.236 1.00 0.24 C ATOM 544 CG TYR A 87 5.875 -19.310 3.459 1.00 0.29 C ATOM 545 CD1 TYR A 87 6.728 -20.238 4.047 1.00 0.86 C ATOM 546 CD2 TYR A 87 6.102 -18.960 2.134 1.00 0.71 C ATOM 547 CE1 TYR A 87 7.775 -20.795 3.336 1.00 0.91 C ATOM 548 CE2 TYR A 87 7.146 -19.515 1.417 1.00 0.72 C ATOM 549 CZ TYR A 87 7.979 -20.431 2.022 1.00 0.44 C ATOM 550 OH TYR A 87 9.018 -20.986 1.312 1.00 0.53 O ATOM 0 H TYR A 87 3.912 -21.226 3.730 1.00 0.25 H new ATOM 0 HA TYR A 87 4.423 -19.613 6.160 1.00 0.23 H new ATOM 0 HB2 TYR A 87 3.999 -18.291 3.530 1.00 0.24 H new ATOM 0 HB3 TYR A 87 5.093 -17.874 4.834 1.00 0.24 H new ATOM 0 HD1 TYR A 87 6.570 -20.528 5.075 1.00 0.86 H new ATOM 0 HD2 TYR A 87 5.452 -18.242 1.656 1.00 0.71 H new ATOM 0 HE1 TYR A 87 8.430 -21.512 3.808 1.00 0.91 H new ATOM 0 HE2 TYR A 87 7.308 -19.232 0.387 1.00 0.72 H new ATOM 0 HH TYR A 87 9.022 -20.624 0.401 1.00 0.53 H new ATOM 560 N PRO A 88 1.752 -20.061 6.088 1.00 0.32 N ATOM 561 CA PRO A 88 0.311 -19.840 6.251 1.00 0.35 C ATOM 562 C PRO A 88 -0.028 -18.466 6.825 1.00 0.35 C ATOM 563 O PRO A 88 -1.169 -18.016 6.733 1.00 0.38 O ATOM 564 CB PRO A 88 -0.115 -20.940 7.229 1.00 0.45 C ATOM 565 CG PRO A 88 1.130 -21.319 7.949 1.00 0.51 C ATOM 566 CD PRO A 88 2.243 -21.144 6.958 1.00 0.45 C ATOM 0 HA PRO A 88 -0.202 -19.873 5.290 1.00 0.35 H new ATOM 0 HB2 PRO A 88 -0.877 -20.580 7.921 1.00 0.45 H new ATOM 0 HB3 PRO A 88 -0.541 -21.793 6.702 1.00 0.45 H new ATOM 0 HG2 PRO A 88 1.283 -20.688 8.825 1.00 0.51 H new ATOM 0 HG3 PRO A 88 1.079 -22.349 8.303 1.00 0.51 H new ATOM 0 HD2 PRO A 88 3.179 -20.874 7.447 1.00 0.45 H new ATOM 0 HD3 PRO A 88 2.429 -22.059 6.396 1.00 0.45 H new ATOM 574 N GLN A 89 0.960 -17.800 7.417 1.00 0.35 N ATOM 575 CA GLN A 89 0.748 -16.492 7.996 1.00 0.38 C ATOM 576 C GLN A 89 0.770 -15.417 6.909 1.00 0.32 C ATOM 577 O GLN A 89 0.003 -14.457 6.955 1.00 0.33 O ATOM 578 CB GLN A 89 1.820 -16.234 9.062 1.00 0.46 C ATOM 579 CG GLN A 89 1.970 -14.777 9.438 1.00 1.22 C ATOM 580 CD GLN A 89 2.577 -14.578 10.814 1.00 1.43 C ATOM 581 OE1 GLN A 89 3.796 -14.503 10.964 1.00 1.55 O ATOM 582 NE2 GLN A 89 1.724 -14.486 11.829 1.00 2.24 N ATOM 0 H GLN A 89 1.913 -18.152 7.504 1.00 0.35 H new ATOM 0 HA GLN A 89 -0.233 -16.454 8.471 1.00 0.38 H new ATOM 0 HB2 GLN A 89 1.575 -16.807 9.956 1.00 0.46 H new ATOM 0 HB3 GLN A 89 2.778 -16.606 8.698 1.00 0.46 H new ATOM 0 HG2 GLN A 89 2.594 -14.279 8.696 1.00 1.22 H new ATOM 0 HG3 GLN A 89 0.992 -14.297 9.406 1.00 1.22 H new ATOM 0 HE21 GLN A 89 0.720 -14.554 11.660 1.00 2.24 H new ATOM 0 HE22 GLN A 89 2.073 -14.348 12.777 1.00 2.24 H new ATOM 591 N ILE A 90 1.648 -15.590 5.925 1.00 0.28 N ATOM 592 CA ILE A 90 1.757 -14.636 4.825 1.00 0.24 C ATOM 593 C ILE A 90 0.381 -14.367 4.222 1.00 0.22 C ATOM 594 O ILE A 90 -0.272 -13.378 4.555 1.00 0.26 O ATOM 595 CB ILE A 90 2.728 -15.147 3.733 1.00 0.22 C ATOM 596 CG1 ILE A 90 4.161 -15.166 4.273 1.00 0.28 C ATOM 597 CG2 ILE A 90 2.639 -14.288 2.476 1.00 0.24 C ATOM 598 CD1 ILE A 90 5.201 -15.533 3.234 1.00 0.28 C ATOM 0 H ILE A 90 2.292 -16.379 5.866 1.00 0.28 H new ATOM 0 HA ILE A 90 2.159 -13.705 5.225 1.00 0.24 H new ATOM 0 HB ILE A 90 2.440 -16.163 3.463 1.00 0.22 H new ATOM 0 HG12 ILE A 90 4.399 -14.183 4.680 1.00 0.28 H new ATOM 0 HG13 ILE A 90 4.219 -15.876 5.098 1.00 0.28 H new ATOM 0 HG21 ILE A 90 3.331 -14.669 1.725 1.00 0.24 H new ATOM 0 HG22 ILE A 90 1.623 -14.322 2.083 1.00 0.24 H new ATOM 0 HG23 ILE A 90 2.899 -13.258 2.720 1.00 0.24 H new ATOM 0 HD11 ILE A 90 6.190 -15.525 3.691 1.00 0.28 H new ATOM 0 HD12 ILE A 90 4.990 -16.528 2.843 1.00 0.28 H new ATOM 0 HD13 ILE A 90 5.172 -14.810 2.419 1.00 0.28 H new ATOM 610 N GLN A 91 -0.065 -15.259 3.343 1.00 0.21 N ATOM 611 CA GLN A 91 -1.377 -15.120 2.713 1.00 0.25 C ATOM 612 C GLN A 91 -2.443 -14.774 3.749 1.00 0.29 C ATOM 613 O GLN A 91 -3.461 -14.162 3.427 1.00 0.34 O ATOM 614 CB GLN A 91 -1.756 -16.412 1.988 1.00 0.30 C ATOM 615 CG GLN A 91 -3.135 -16.371 1.354 1.00 0.37 C ATOM 616 CD GLN A 91 -3.417 -17.579 0.488 1.00 0.84 C ATOM 617 OE1 GLN A 91 -2.501 -18.184 -0.071 1.00 1.41 O ATOM 618 NE2 GLN A 91 -4.687 -17.933 0.365 1.00 1.26 N ATOM 0 H GLN A 91 0.459 -16.084 3.050 1.00 0.21 H new ATOM 0 HA GLN A 91 -1.321 -14.307 1.989 1.00 0.25 H new ATOM 0 HB2 GLN A 91 -1.016 -16.615 1.214 1.00 0.30 H new ATOM 0 HB3 GLN A 91 -1.715 -17.241 2.695 1.00 0.30 H new ATOM 0 HG2 GLN A 91 -3.889 -16.308 2.139 1.00 0.37 H new ATOM 0 HG3 GLN A 91 -3.226 -15.468 0.751 1.00 0.37 H new ATOM 0 HE21 GLN A 91 -5.413 -17.403 0.846 1.00 1.26 H new ATOM 0 HE22 GLN A 91 -4.939 -18.736 -0.211 1.00 1.26 H new ATOM 627 N ALA A 92 -2.199 -15.174 4.994 1.00 0.29 N ATOM 628 CA ALA A 92 -3.123 -14.890 6.080 1.00 0.36 C ATOM 629 C ALA A 92 -3.452 -13.404 6.121 1.00 0.37 C ATOM 630 O ALA A 92 -4.619 -13.018 6.159 1.00 0.43 O ATOM 631 CB ALA A 92 -2.532 -15.341 7.404 1.00 0.42 C ATOM 0 H ALA A 92 -1.368 -15.696 5.273 1.00 0.29 H new ATOM 0 HA ALA A 92 -4.047 -15.442 5.906 1.00 0.36 H new ATOM 0 HB1 ALA A 92 -3.234 -15.123 8.209 1.00 0.42 H new ATOM 0 HB2 ALA A 92 -2.341 -16.414 7.370 1.00 0.42 H new ATOM 0 HB3 ALA A 92 -1.597 -14.811 7.584 1.00 0.42 H new ATOM 637 N PHE A 93 -2.413 -12.572 6.113 1.00 0.36 N ATOM 638 CA PHE A 93 -2.608 -11.131 6.131 1.00 0.42 C ATOM 639 C PHE A 93 -3.296 -10.697 4.842 1.00 0.43 C ATOM 640 O PHE A 93 -4.099 -9.764 4.836 1.00 0.54 O ATOM 641 CB PHE A 93 -1.270 -10.395 6.322 1.00 0.45 C ATOM 642 CG PHE A 93 -0.414 -10.296 5.087 1.00 0.41 C ATOM 643 CD1 PHE A 93 -0.799 -9.505 4.017 1.00 0.96 C ATOM 644 CD2 PHE A 93 0.784 -10.980 5.009 1.00 0.93 C ATOM 645 CE1 PHE A 93 -0.004 -9.400 2.891 1.00 0.95 C ATOM 646 CE2 PHE A 93 1.584 -10.883 3.885 1.00 0.98 C ATOM 647 CZ PHE A 93 1.189 -10.092 2.826 1.00 0.47 C ATOM 0 H PHE A 93 -1.438 -12.870 6.094 1.00 0.36 H new ATOM 0 HA PHE A 93 -3.244 -10.868 6.976 1.00 0.42 H new ATOM 0 HB2 PHE A 93 -1.476 -9.388 6.685 1.00 0.45 H new ATOM 0 HB3 PHE A 93 -0.701 -10.904 7.100 1.00 0.45 H new ATOM 0 HD1 PHE A 93 -1.732 -8.963 4.063 1.00 0.96 H new ATOM 0 HD2 PHE A 93 1.100 -11.598 5.836 1.00 0.93 H new ATOM 0 HE1 PHE A 93 -0.315 -8.778 2.064 1.00 0.95 H new ATOM 0 HE2 PHE A 93 2.517 -11.426 3.836 1.00 0.98 H new ATOM 0 HZ PHE A 93 1.812 -10.014 1.947 1.00 0.47 H new ATOM 657 N ILE A 94 -2.971 -11.387 3.751 1.00 0.37 N ATOM 658 CA ILE A 94 -3.576 -11.102 2.457 1.00 0.44 C ATOM 659 C ILE A 94 -5.068 -11.376 2.520 1.00 0.52 C ATOM 660 O ILE A 94 -5.876 -10.672 1.915 1.00 0.66 O ATOM 661 CB ILE A 94 -2.968 -11.969 1.340 1.00 0.40 C ATOM 662 CG1 ILE A 94 -1.451 -11.799 1.283 1.00 0.40 C ATOM 663 CG2 ILE A 94 -3.595 -11.611 0.001 1.00 0.55 C ATOM 664 CD1 ILE A 94 -0.817 -12.514 0.111 1.00 0.38 C ATOM 0 H ILE A 94 -2.291 -12.147 3.740 1.00 0.37 H new ATOM 0 HA ILE A 94 -3.384 -10.054 2.229 1.00 0.44 H new ATOM 0 HB ILE A 94 -3.182 -13.015 1.560 1.00 0.40 H new ATOM 0 HG12 ILE A 94 -1.212 -10.737 1.225 1.00 0.40 H new ATOM 0 HG13 ILE A 94 -1.014 -12.174 2.209 1.00 0.40 H new ATOM 0 HG21 ILE A 94 -3.158 -12.230 -0.783 1.00 0.55 H new ATOM 0 HG22 ILE A 94 -4.670 -11.786 0.044 1.00 0.55 H new ATOM 0 HG23 ILE A 94 -3.407 -10.560 -0.220 1.00 0.55 H new ATOM 0 HD11 ILE A 94 0.261 -12.354 0.127 1.00 0.38 H new ATOM 0 HD12 ILE A 94 -1.027 -13.581 0.179 1.00 0.38 H new ATOM 0 HD13 ILE A 94 -1.228 -12.122 -0.820 1.00 0.38 H new ATOM 676 N GLN A 95 -5.416 -12.416 3.266 1.00 0.48 N ATOM 677 CA GLN A 95 -6.808 -12.807 3.442 1.00 0.60 C ATOM 678 C GLN A 95 -7.507 -11.851 4.400 1.00 0.54 C ATOM 679 O GLN A 95 -8.722 -11.668 4.336 1.00 0.59 O ATOM 680 CB GLN A 95 -6.900 -14.239 3.976 1.00 0.73 C ATOM 681 CG GLN A 95 -6.425 -15.292 2.990 1.00 0.84 C ATOM 682 CD GLN A 95 -6.701 -16.711 3.458 1.00 1.04 C ATOM 683 OE1 GLN A 95 -6.946 -17.605 2.649 1.00 1.64 O ATOM 684 NE2 GLN A 95 -6.652 -16.930 4.769 1.00 1.51 N ATOM 0 H GLN A 95 -4.749 -13.007 3.762 1.00 0.48 H new ATOM 0 HA GLN A 95 -7.303 -12.763 2.472 1.00 0.60 H new ATOM 0 HB2 GLN A 95 -6.308 -14.315 4.888 1.00 0.73 H new ATOM 0 HB3 GLN A 95 -7.934 -14.450 4.248 1.00 0.73 H new ATOM 0 HG2 GLN A 95 -6.915 -15.130 2.030 1.00 0.84 H new ATOM 0 HG3 GLN A 95 -5.354 -15.171 2.826 1.00 0.84 H new ATOM 0 HE21 GLN A 95 -6.446 -16.161 5.407 1.00 1.51 H new ATOM 0 HE22 GLN A 95 -6.821 -17.866 5.136 1.00 1.51 H new ATOM 693 N SER A 96 -6.726 -11.238 5.290 1.00 0.47 N ATOM 694 CA SER A 96 -7.271 -10.296 6.260 1.00 0.46 C ATOM 695 C SER A 96 -7.995 -9.153 5.554 1.00 0.40 C ATOM 696 O SER A 96 -9.111 -8.789 5.925 1.00 0.51 O ATOM 697 CB SER A 96 -6.154 -9.743 7.150 1.00 0.48 C ATOM 698 OG SER A 96 -6.687 -9.028 8.251 1.00 1.10 O ATOM 0 H SER A 96 -5.718 -11.378 5.357 1.00 0.47 H new ATOM 0 HA SER A 96 -7.990 -10.826 6.885 1.00 0.46 H new ATOM 0 HB2 SER A 96 -5.533 -10.563 7.511 1.00 0.48 H new ATOM 0 HB3 SER A 96 -5.509 -9.088 6.565 1.00 0.48 H new ATOM 0 HG SER A 96 -5.954 -8.686 8.805 1.00 1.10 H new ATOM 704 N GLY A 97 -7.354 -8.592 4.532 1.00 0.34 N ATOM 705 CA GLY A 97 -7.956 -7.501 3.785 1.00 0.37 C ATOM 706 C GLY A 97 -7.249 -6.171 3.989 1.00 0.34 C ATOM 707 O GLY A 97 -7.548 -5.195 3.302 1.00 0.32 O ATOM 0 H GLY A 97 -6.429 -8.873 4.208 1.00 0.34 H new ATOM 0 HA2 GLY A 97 -7.949 -7.749 2.724 1.00 0.37 H new ATOM 0 HA3 GLY A 97 -9.000 -7.399 4.082 1.00 0.37 H new ATOM 711 N ARG A 98 -6.309 -6.130 4.929 1.00 0.39 N ATOM 712 CA ARG A 98 -5.569 -4.907 5.218 1.00 0.39 C ATOM 713 C ARG A 98 -4.767 -4.420 4.012 1.00 0.34 C ATOM 714 O ARG A 98 -4.763 -3.225 3.716 1.00 0.33 O ATOM 715 CB ARG A 98 -4.640 -5.121 6.414 1.00 0.47 C ATOM 716 CG ARG A 98 -5.372 -5.147 7.745 1.00 0.66 C ATOM 717 CD ARG A 98 -6.574 -6.076 7.699 1.00 0.53 C ATOM 718 NE ARG A 98 -7.256 -6.152 8.987 1.00 0.68 N ATOM 719 CZ ARG A 98 -8.513 -6.556 9.131 1.00 0.76 C ATOM 720 NH1 ARG A 98 -9.219 -6.926 8.071 1.00 1.33 N ATOM 721 NH2 ARG A 98 -9.066 -6.589 10.336 1.00 0.83 N ATOM 0 H ARG A 98 -6.042 -6.930 5.503 1.00 0.39 H new ATOM 0 HA ARG A 98 -6.300 -4.135 5.458 1.00 0.39 H new ATOM 0 HB2 ARG A 98 -4.102 -6.060 6.284 1.00 0.47 H new ATOM 0 HB3 ARG A 98 -3.894 -4.327 6.433 1.00 0.47 H new ATOM 0 HG2 ARG A 98 -4.690 -5.471 8.531 1.00 0.66 H new ATOM 0 HG3 ARG A 98 -5.699 -4.139 8.002 1.00 0.66 H new ATOM 0 HD2 ARG A 98 -7.273 -5.727 6.939 1.00 0.53 H new ATOM 0 HD3 ARG A 98 -6.250 -7.073 7.401 1.00 0.53 H new ATOM 0 HE ARG A 98 -6.739 -5.880 9.823 1.00 0.68 H new ATOM 0 HH11 ARG A 98 -8.797 -6.901 7.143 1.00 1.33 H new ATOM 0 HH12 ARG A 98 -10.184 -7.236 8.184 1.00 1.33 H new ATOM 0 HH21 ARG A 98 -8.526 -6.304 11.153 1.00 0.83 H new ATOM 0 HH22 ARG A 98 -10.031 -6.899 10.446 1.00 0.83 H new ATOM 735 N PRO A 99 -4.076 -5.325 3.295 1.00 0.33 N ATOM 736 CA PRO A 99 -3.282 -4.939 2.128 1.00 0.32 C ATOM 737 C PRO A 99 -4.148 -4.316 1.044 1.00 0.31 C ATOM 738 O PRO A 99 -3.676 -3.507 0.246 1.00 0.35 O ATOM 739 CB PRO A 99 -2.661 -6.254 1.640 1.00 0.39 C ATOM 740 CG PRO A 99 -2.802 -7.204 2.780 1.00 0.41 C ATOM 741 CD PRO A 99 -4.022 -6.773 3.544 1.00 0.37 C ATOM 0 HA PRO A 99 -2.534 -4.186 2.375 1.00 0.32 H new ATOM 0 HB2 PRO A 99 -3.174 -6.626 0.753 1.00 0.39 H new ATOM 0 HB3 PRO A 99 -1.614 -6.118 1.369 1.00 0.39 H new ATOM 0 HG2 PRO A 99 -2.910 -8.228 2.421 1.00 0.41 H new ATOM 0 HG3 PRO A 99 -1.917 -7.181 3.416 1.00 0.41 H new ATOM 0 HD2 PRO A 99 -4.920 -7.277 3.187 1.00 0.37 H new ATOM 0 HD3 PRO A 99 -3.932 -6.996 4.607 1.00 0.37 H new ATOM 749 N ALA A 100 -5.420 -4.698 1.023 1.00 0.30 N ATOM 750 CA ALA A 100 -6.354 -4.157 0.048 1.00 0.33 C ATOM 751 C ALA A 100 -6.452 -2.649 0.209 1.00 0.30 C ATOM 752 O ALA A 100 -6.710 -1.922 -0.750 1.00 0.34 O ATOM 753 CB ALA A 100 -7.723 -4.800 0.204 1.00 0.40 C ATOM 0 H ALA A 100 -5.825 -5.377 1.668 1.00 0.30 H new ATOM 0 HA ALA A 100 -5.986 -4.382 -0.953 1.00 0.33 H new ATOM 0 HB1 ALA A 100 -8.408 -4.382 -0.534 1.00 0.40 H new ATOM 0 HB2 ALA A 100 -7.639 -5.876 0.053 1.00 0.40 H new ATOM 0 HB3 ALA A 100 -8.105 -4.603 1.206 1.00 0.40 H new ATOM 759 N LYS A 101 -6.244 -2.188 1.440 1.00 0.26 N ATOM 760 CA LYS A 101 -6.294 -0.768 1.746 1.00 0.28 C ATOM 761 C LYS A 101 -5.079 -0.040 1.171 1.00 0.26 C ATOM 762 O LYS A 101 -5.068 1.186 1.090 1.00 0.35 O ATOM 763 CB LYS A 101 -6.353 -0.560 3.258 1.00 0.32 C ATOM 764 CG LYS A 101 -7.360 -1.454 3.955 1.00 0.35 C ATOM 765 CD LYS A 101 -7.390 -1.187 5.447 1.00 0.40 C ATOM 766 CE LYS A 101 -6.015 -1.349 6.075 1.00 0.40 C ATOM 767 NZ LYS A 101 -6.045 -1.105 7.543 1.00 0.58 N ATOM 0 H LYS A 101 -6.039 -2.783 2.242 1.00 0.26 H new ATOM 0 HA LYS A 101 -7.192 -0.354 1.288 1.00 0.28 H new ATOM 0 HB2 LYS A 101 -5.365 -0.742 3.680 1.00 0.32 H new ATOM 0 HB3 LYS A 101 -6.601 0.481 3.464 1.00 0.32 H new ATOM 0 HG2 LYS A 101 -8.351 -1.288 3.533 1.00 0.35 H new ATOM 0 HG3 LYS A 101 -7.108 -2.499 3.775 1.00 0.35 H new ATOM 0 HD2 LYS A 101 -7.756 -0.177 5.629 1.00 0.40 H new ATOM 0 HD3 LYS A 101 -8.091 -1.871 5.925 1.00 0.40 H new ATOM 0 HE2 LYS A 101 -5.643 -2.355 5.881 1.00 0.40 H new ATOM 0 HE3 LYS A 101 -5.317 -0.656 5.606 1.00 0.40 H new ATOM 0 HZ1 LYS A 101 -5.089 -1.225 7.934 1.00 0.58 H new ATOM 0 HZ2 LYS A 101 -6.376 -0.136 7.727 1.00 0.58 H new ATOM 0 HZ3 LYS A 101 -6.692 -1.783 7.994 1.00 0.58 H new ATOM 781 N PHE A 102 -4.052 -0.798 0.783 1.00 0.20 N ATOM 782 CA PHE A 102 -2.844 -0.210 0.220 1.00 0.20 C ATOM 783 C PHE A 102 -2.937 -0.179 -1.308 1.00 0.23 C ATOM 784 O PHE A 102 -2.691 -1.188 -1.969 1.00 0.28 O ATOM 785 CB PHE A 102 -1.604 -1.009 0.656 1.00 0.23 C ATOM 786 CG PHE A 102 -1.606 -1.449 2.103 1.00 0.23 C ATOM 787 CD1 PHE A 102 -2.457 -0.872 3.035 1.00 0.25 C ATOM 788 CD2 PHE A 102 -0.749 -2.452 2.528 1.00 0.27 C ATOM 789 CE1 PHE A 102 -2.453 -1.285 4.354 1.00 0.30 C ATOM 790 CE2 PHE A 102 -0.739 -2.869 3.847 1.00 0.32 C ATOM 791 CZ PHE A 102 -1.593 -2.285 4.760 1.00 0.33 C ATOM 0 H PHE A 102 -4.036 -1.816 0.849 1.00 0.20 H new ATOM 0 HA PHE A 102 -2.749 0.811 0.591 1.00 0.20 H new ATOM 0 HB2 PHE A 102 -1.518 -1.892 0.023 1.00 0.23 H new ATOM 0 HB3 PHE A 102 -0.717 -0.401 0.477 1.00 0.23 H new ATOM 0 HD1 PHE A 102 -3.133 -0.088 2.725 1.00 0.25 H new ATOM 0 HD2 PHE A 102 -0.079 -2.915 1.819 1.00 0.27 H new ATOM 0 HE1 PHE A 102 -3.122 -0.826 5.066 1.00 0.30 H new ATOM 0 HE2 PHE A 102 -0.064 -3.651 4.162 1.00 0.32 H new ATOM 0 HZ PHE A 102 -1.588 -2.610 5.790 1.00 0.33 H new ATOM 801 N PRO A 103 -3.293 0.983 -1.890 1.00 0.31 N ATOM 802 CA PRO A 103 -3.432 1.134 -3.348 1.00 0.38 C ATOM 803 C PRO A 103 -2.106 0.976 -4.079 1.00 0.36 C ATOM 804 O PRO A 103 -2.068 0.566 -5.240 1.00 0.52 O ATOM 805 CB PRO A 103 -3.958 2.561 -3.509 1.00 0.46 C ATOM 806 CG PRO A 103 -3.504 3.265 -2.280 1.00 0.47 C ATOM 807 CD PRO A 103 -3.573 2.244 -1.184 1.00 0.40 C ATOM 0 HA PRO A 103 -4.084 0.371 -3.773 1.00 0.38 H new ATOM 0 HB2 PRO A 103 -3.559 3.032 -4.407 1.00 0.46 H new ATOM 0 HB3 PRO A 103 -5.044 2.576 -3.597 1.00 0.46 H new ATOM 0 HG2 PRO A 103 -2.490 3.646 -2.398 1.00 0.47 H new ATOM 0 HG3 PRO A 103 -4.142 4.121 -2.060 1.00 0.47 H new ATOM 0 HD2 PRO A 103 -2.839 2.441 -0.402 1.00 0.40 H new ATOM 0 HD3 PRO A 103 -4.552 2.230 -0.706 1.00 0.40 H new ATOM 815 N ASN A 104 -1.022 1.301 -3.389 1.00 0.29 N ATOM 816 CA ASN A 104 0.315 1.193 -3.958 1.00 0.28 C ATOM 817 C ASN A 104 0.841 -0.240 -3.894 1.00 0.29 C ATOM 818 O ASN A 104 1.982 -0.503 -4.274 1.00 0.54 O ATOM 819 CB ASN A 104 1.271 2.106 -3.203 1.00 0.32 C ATOM 820 CG ASN A 104 1.380 3.481 -3.817 1.00 0.30 C ATOM 821 OD1 ASN A 104 0.450 3.970 -4.459 1.00 0.44 O ATOM 822 ND2 ASN A 104 2.524 4.112 -3.612 1.00 0.36 N ATOM 0 H ASN A 104 -1.042 1.644 -2.429 1.00 0.29 H new ATOM 0 HA ASN A 104 0.253 1.491 -5.005 1.00 0.28 H new ATOM 0 HB2 ASN A 104 0.935 2.201 -2.170 1.00 0.32 H new ATOM 0 HB3 ASN A 104 2.259 1.646 -3.176 1.00 0.32 H new ATOM 0 HD21 ASN A 104 2.666 5.047 -3.993 1.00 0.36 H new ATOM 0 HD22 ASN A 104 3.264 3.663 -3.073 1.00 0.36 H new ATOM 829 N LEU A 105 0.009 -1.166 -3.433 1.00 0.25 N ATOM 830 CA LEU A 105 0.416 -2.555 -3.310 1.00 0.24 C ATOM 831 C LEU A 105 -0.514 -3.458 -4.118 1.00 0.24 C ATOM 832 O LEU A 105 -1.679 -3.654 -3.773 1.00 0.44 O ATOM 833 CB LEU A 105 0.441 -2.944 -1.834 1.00 0.26 C ATOM 834 CG LEU A 105 0.708 -4.417 -1.538 1.00 0.27 C ATOM 835 CD1 LEU A 105 1.986 -4.881 -2.222 1.00 0.27 C ATOM 836 CD2 LEU A 105 0.794 -4.635 -0.036 1.00 0.33 C ATOM 0 H LEU A 105 -0.950 -0.978 -3.139 1.00 0.25 H new ATOM 0 HA LEU A 105 1.420 -2.682 -3.716 1.00 0.24 H new ATOM 0 HB2 LEU A 105 1.205 -2.349 -1.334 1.00 0.26 H new ATOM 0 HB3 LEU A 105 -0.517 -2.672 -1.390 1.00 0.26 H new ATOM 0 HG LEU A 105 -0.118 -5.009 -1.933 1.00 0.27 H new ATOM 0 HD11 LEU A 105 2.157 -5.934 -1.998 1.00 0.27 H new ATOM 0 HD12 LEU A 105 1.890 -4.751 -3.300 1.00 0.27 H new ATOM 0 HD13 LEU A 105 2.828 -4.291 -1.859 1.00 0.27 H new ATOM 0 HD21 LEU A 105 0.985 -5.689 0.168 1.00 0.33 H new ATOM 0 HD22 LEU A 105 1.606 -4.033 0.373 1.00 0.33 H new ATOM 0 HD23 LEU A 105 -0.147 -4.340 0.429 1.00 0.33 H new ATOM 848 N GLN A 106 0.036 -3.999 -5.201 1.00 0.16 N ATOM 849 CA GLN A 106 -0.699 -4.862 -6.127 1.00 0.18 C ATOM 850 C GLN A 106 -1.311 -6.096 -5.456 1.00 0.19 C ATOM 851 O GLN A 106 -2.532 -6.219 -5.378 1.00 0.29 O ATOM 852 CB GLN A 106 0.246 -5.302 -7.252 1.00 0.20 C ATOM 853 CG GLN A 106 -0.329 -6.368 -8.171 1.00 0.26 C ATOM 854 CD GLN A 106 -1.463 -5.847 -9.033 1.00 0.37 C ATOM 855 OE1 GLN A 106 -1.242 -5.355 -10.140 1.00 0.95 O ATOM 856 NE2 GLN A 106 -2.688 -5.952 -8.528 1.00 0.96 N ATOM 0 H GLN A 106 1.010 -3.851 -5.465 1.00 0.16 H new ATOM 0 HA GLN A 106 -1.533 -4.279 -6.518 1.00 0.18 H new ATOM 0 HB2 GLN A 106 0.512 -4.430 -7.849 1.00 0.20 H new ATOM 0 HB3 GLN A 106 1.168 -5.679 -6.809 1.00 0.20 H new ATOM 0 HG2 GLN A 106 0.463 -6.754 -8.813 1.00 0.26 H new ATOM 0 HG3 GLN A 106 -0.688 -7.204 -7.571 1.00 0.26 H new ATOM 0 HE21 GLN A 106 -2.826 -6.367 -7.606 1.00 0.96 H new ATOM 0 HE22 GLN A 106 -3.490 -5.618 -9.062 1.00 0.96 H new ATOM 865 N ILE A 107 -0.462 -7.006 -4.985 1.00 0.21 N ATOM 866 CA ILE A 107 -0.923 -8.253 -4.368 1.00 0.23 C ATOM 867 C ILE A 107 -1.347 -9.245 -5.446 1.00 0.24 C ATOM 868 O ILE A 107 -2.487 -9.710 -5.463 1.00 0.40 O ATOM 869 CB ILE A 107 -2.113 -8.047 -3.409 1.00 0.27 C ATOM 870 CG1 ILE A 107 -1.843 -6.888 -2.437 1.00 0.27 C ATOM 871 CG2 ILE A 107 -2.394 -9.345 -2.661 1.00 0.33 C ATOM 872 CD1 ILE A 107 -1.067 -7.275 -1.190 1.00 0.38 C ATOM 0 H ILE A 107 0.552 -6.905 -5.018 1.00 0.21 H new ATOM 0 HA ILE A 107 -0.082 -8.635 -3.789 1.00 0.23 H new ATOM 0 HB ILE A 107 -2.996 -7.780 -3.989 1.00 0.27 H new ATOM 0 HG12 ILE A 107 -1.292 -6.110 -2.965 1.00 0.27 H new ATOM 0 HG13 ILE A 107 -2.797 -6.455 -2.135 1.00 0.27 H new ATOM 0 HG21 ILE A 107 -3.235 -9.200 -1.983 1.00 0.33 H new ATOM 0 HG22 ILE A 107 -2.636 -10.132 -3.376 1.00 0.33 H new ATOM 0 HG23 ILE A 107 -1.512 -9.633 -2.089 1.00 0.33 H new ATOM 0 HD11 ILE A 107 -0.923 -6.395 -0.563 1.00 0.38 H new ATOM 0 HD12 ILE A 107 -1.624 -8.029 -0.634 1.00 0.38 H new ATOM 0 HD13 ILE A 107 -0.096 -7.679 -1.476 1.00 0.38 H new ATOM 884 N LYS A 108 -0.424 -9.562 -6.351 1.00 0.18 N ATOM 885 CA LYS A 108 -0.717 -10.484 -7.442 1.00 0.19 C ATOM 886 C LYS A 108 -0.525 -11.938 -7.030 1.00 0.19 C ATOM 887 O LYS A 108 0.249 -12.247 -6.124 1.00 0.20 O ATOM 888 CB LYS A 108 0.163 -10.167 -8.655 1.00 0.23 C ATOM 889 CG LYS A 108 -0.631 -9.868 -9.918 1.00 0.43 C ATOM 890 CD LYS A 108 0.238 -9.238 -10.997 1.00 0.42 C ATOM 891 CE LYS A 108 1.446 -10.103 -11.320 1.00 0.35 C ATOM 892 NZ LYS A 108 1.051 -11.466 -11.770 1.00 0.82 N ATOM 0 H LYS A 108 0.528 -9.196 -6.350 1.00 0.18 H new ATOM 0 HA LYS A 108 -1.766 -10.350 -7.706 1.00 0.19 H new ATOM 0 HB2 LYS A 108 0.795 -9.311 -8.421 1.00 0.23 H new ATOM 0 HB3 LYS A 108 0.826 -11.011 -8.843 1.00 0.23 H new ATOM 0 HG2 LYS A 108 -1.070 -10.790 -10.298 1.00 0.43 H new ATOM 0 HG3 LYS A 108 -1.456 -9.197 -9.678 1.00 0.43 H new ATOM 0 HD2 LYS A 108 -0.354 -9.088 -11.900 1.00 0.42 H new ATOM 0 HD3 LYS A 108 0.572 -8.254 -10.667 1.00 0.42 H new ATOM 0 HE2 LYS A 108 2.039 -9.622 -12.098 1.00 0.35 H new ATOM 0 HE3 LYS A 108 2.082 -10.182 -10.438 1.00 0.35 H new ATOM 0 HZ1 LYS A 108 1.888 -11.971 -12.124 1.00 0.82 H new ATOM 0 HZ2 LYS A 108 0.642 -11.991 -10.970 1.00 0.82 H new ATOM 0 HZ3 LYS A 108 0.346 -11.390 -12.531 1.00 0.82 H new ATOM 906 N TYR A 109 -1.243 -12.823 -7.713 1.00 0.21 N ATOM 907 CA TYR A 109 -1.164 -14.253 -7.458 1.00 0.23 C ATOM 908 C TYR A 109 -0.527 -14.930 -8.654 1.00 0.24 C ATOM 909 O TYR A 109 -1.154 -15.725 -9.356 1.00 0.27 O ATOM 910 CB TYR A 109 -2.553 -14.832 -7.186 1.00 0.28 C ATOM 911 CG TYR A 109 -3.267 -14.153 -6.041 1.00 0.32 C ATOM 912 CD1 TYR A 109 -2.629 -13.952 -4.824 1.00 0.78 C ATOM 913 CD2 TYR A 109 -4.577 -13.709 -6.175 1.00 0.82 C ATOM 914 CE1 TYR A 109 -3.273 -13.328 -3.774 1.00 0.80 C ATOM 915 CE2 TYR A 109 -5.228 -13.086 -5.132 1.00 0.87 C ATOM 916 CZ TYR A 109 -4.574 -12.897 -3.932 1.00 0.45 C ATOM 917 OH TYR A 109 -5.220 -12.274 -2.890 1.00 0.52 O ATOM 0 H TYR A 109 -1.894 -12.568 -8.456 1.00 0.21 H new ATOM 0 HA TYR A 109 -0.554 -14.430 -6.572 1.00 0.23 H new ATOM 0 HB2 TYR A 109 -3.159 -14.743 -8.087 1.00 0.28 H new ATOM 0 HB3 TYR A 109 -2.460 -15.896 -6.968 1.00 0.28 H new ATOM 0 HD1 TYR A 109 -1.611 -14.290 -4.697 1.00 0.78 H new ATOM 0 HD2 TYR A 109 -5.094 -13.855 -7.112 1.00 0.82 H new ATOM 0 HE1 TYR A 109 -2.761 -13.178 -2.835 1.00 0.80 H new ATOM 0 HE2 TYR A 109 -6.246 -12.747 -5.254 1.00 0.87 H new ATOM 0 HH TYR A 109 -6.129 -12.032 -3.166 1.00 0.52 H new ATOM 927 N VAL A 110 0.733 -14.584 -8.872 1.00 0.24 N ATOM 928 CA VAL A 110 1.522 -15.091 -9.980 1.00 0.27 C ATOM 929 C VAL A 110 1.189 -16.548 -10.336 1.00 0.31 C ATOM 930 O VAL A 110 0.676 -17.302 -9.509 1.00 0.32 O ATOM 931 CB VAL A 110 3.027 -14.916 -9.662 1.00 0.28 C ATOM 932 CG1 VAL A 110 3.644 -16.150 -9.016 1.00 0.29 C ATOM 933 CG2 VAL A 110 3.780 -14.493 -10.905 1.00 0.32 C ATOM 0 H VAL A 110 1.242 -13.933 -8.274 1.00 0.24 H new ATOM 0 HA VAL A 110 1.268 -14.507 -10.865 1.00 0.27 H new ATOM 0 HB VAL A 110 3.113 -14.123 -8.919 1.00 0.28 H new ATOM 0 HG11 VAL A 110 4.700 -15.967 -8.817 1.00 0.29 H new ATOM 0 HG12 VAL A 110 3.130 -16.366 -8.079 1.00 0.29 H new ATOM 0 HG13 VAL A 110 3.544 -17.001 -9.689 1.00 0.29 H new ATOM 0 HG21 VAL A 110 4.837 -14.374 -10.667 1.00 0.32 H new ATOM 0 HG22 VAL A 110 3.665 -15.254 -11.677 1.00 0.32 H new ATOM 0 HG23 VAL A 110 3.381 -13.546 -11.268 1.00 0.32 H new ATOM 943 N ARG A 111 1.496 -16.930 -11.572 1.00 0.39 N ATOM 944 CA ARG A 111 1.229 -18.283 -12.058 1.00 0.44 C ATOM 945 C ARG A 111 1.597 -19.342 -11.021 1.00 0.38 C ATOM 946 O ARG A 111 0.784 -20.204 -10.686 1.00 0.58 O ATOM 947 CB ARG A 111 2.003 -18.540 -13.351 1.00 0.60 C ATOM 948 CG ARG A 111 1.560 -17.667 -14.512 1.00 1.10 C ATOM 949 CD ARG A 111 0.145 -18.003 -14.953 1.00 1.64 C ATOM 950 NE ARG A 111 -0.269 -17.212 -16.107 1.00 2.48 N ATOM 951 CZ ARG A 111 -1.389 -17.435 -16.788 1.00 3.06 C ATOM 952 NH1 ARG A 111 -2.205 -18.415 -16.424 1.00 2.96 N ATOM 953 NH2 ARG A 111 -1.695 -16.678 -17.832 1.00 4.06 N ATOM 0 H ARG A 111 1.933 -16.318 -12.261 1.00 0.39 H new ATOM 0 HA ARG A 111 0.158 -18.356 -12.249 1.00 0.44 H new ATOM 0 HB2 ARG A 111 3.065 -18.374 -13.168 1.00 0.60 H new ATOM 0 HB3 ARG A 111 1.888 -19.587 -13.631 1.00 0.60 H new ATOM 0 HG2 ARG A 111 1.612 -16.618 -14.220 1.00 1.10 H new ATOM 0 HG3 ARG A 111 2.244 -17.799 -15.350 1.00 1.10 H new ATOM 0 HD2 ARG A 111 0.084 -19.063 -15.199 1.00 1.64 H new ATOM 0 HD3 ARG A 111 -0.544 -17.827 -14.127 1.00 1.64 H new ATOM 0 HE ARG A 111 0.334 -16.446 -16.408 1.00 2.48 H new ATOM 0 HH11 ARG A 111 -1.974 -18.999 -15.620 1.00 2.96 H new ATOM 0 HH12 ARG A 111 -3.064 -18.585 -16.948 1.00 2.96 H new ATOM 0 HH21 ARG A 111 -1.071 -15.922 -18.115 1.00 4.06 H new ATOM 0 HH22 ARG A 111 -2.555 -16.851 -18.353 1.00 4.06 H new ATOM 967 N GLY A 112 2.823 -19.270 -10.511 1.00 0.38 N ATOM 968 CA GLY A 112 3.268 -20.242 -9.529 1.00 0.69 C ATOM 969 C GLY A 112 4.719 -20.056 -9.133 1.00 0.58 C ATOM 970 O GLY A 112 5.566 -20.889 -9.450 1.00 0.68 O ATOM 0 H GLY A 112 3.513 -18.560 -10.758 1.00 0.38 H new ATOM 0 HA2 GLY A 112 2.641 -20.167 -8.640 1.00 0.69 H new ATOM 0 HA3 GLY A 112 3.132 -21.246 -9.931 1.00 0.69 H new ATOM 974 N LEU A 113 5.005 -18.963 -8.432 1.00 0.54 N ATOM 975 CA LEU A 113 6.365 -18.673 -7.990 1.00 0.50 C ATOM 976 C LEU A 113 6.419 -18.547 -6.472 1.00 0.41 C ATOM 977 O LEU A 113 5.470 -18.905 -5.775 1.00 0.51 O ATOM 978 CB LEU A 113 6.881 -17.382 -8.636 1.00 0.50 C ATOM 979 CG LEU A 113 6.660 -17.275 -10.146 1.00 0.63 C ATOM 980 CD1 LEU A 113 7.299 -16.007 -10.694 1.00 0.66 C ATOM 981 CD2 LEU A 113 7.215 -18.502 -10.852 1.00 0.73 C ATOM 0 H LEU A 113 4.314 -18.264 -8.158 1.00 0.54 H new ATOM 0 HA LEU A 113 7.003 -19.501 -8.300 1.00 0.50 H new ATOM 0 HB2 LEU A 113 6.396 -16.534 -8.153 1.00 0.50 H new ATOM 0 HB3 LEU A 113 7.949 -17.295 -8.434 1.00 0.50 H new ATOM 0 HG LEU A 113 5.587 -17.224 -10.334 1.00 0.63 H new ATOM 0 HD11 LEU A 113 7.130 -15.950 -11.769 1.00 0.66 H new ATOM 0 HD12 LEU A 113 6.854 -15.137 -10.210 1.00 0.66 H new ATOM 0 HD13 LEU A 113 8.371 -16.024 -10.495 1.00 0.66 H new ATOM 0 HD21 LEU A 113 7.050 -18.410 -11.925 1.00 0.73 H new ATOM 0 HD22 LEU A 113 8.284 -18.583 -10.655 1.00 0.73 H new ATOM 0 HD23 LEU A 113 6.710 -19.394 -10.482 1.00 0.73 H new ATOM 993 N ASP A 114 7.535 -18.034 -5.964 1.00 0.30 N ATOM 994 CA ASP A 114 7.709 -17.858 -4.527 1.00 0.29 C ATOM 995 C ASP A 114 7.307 -16.446 -4.104 1.00 0.23 C ATOM 996 O ASP A 114 7.394 -15.507 -4.895 1.00 0.23 O ATOM 997 CB ASP A 114 9.163 -18.130 -4.134 1.00 0.32 C ATOM 998 CG ASP A 114 10.132 -17.166 -4.790 1.00 0.28 C ATOM 999 OD1 ASP A 114 10.434 -17.351 -5.988 1.00 0.56 O ATOM 1000 OD2 ASP A 114 10.590 -16.227 -4.106 1.00 0.60 O ATOM 0 H ASP A 114 8.332 -17.733 -6.526 1.00 0.30 H new ATOM 0 HA ASP A 114 7.063 -18.570 -4.013 1.00 0.29 H new ATOM 0 HB2 ASP A 114 9.262 -18.059 -3.051 1.00 0.32 H new ATOM 0 HB3 ASP A 114 9.426 -19.150 -4.412 1.00 0.32 H new ATOM 1005 N PRO A 115 6.855 -16.280 -2.846 1.00 0.22 N ATOM 1006 CA PRO A 115 6.439 -14.974 -2.322 1.00 0.20 C ATOM 1007 C PRO A 115 7.597 -13.989 -2.263 1.00 0.20 C ATOM 1008 O PRO A 115 8.556 -14.189 -1.516 1.00 0.22 O ATOM 1009 CB PRO A 115 5.945 -15.280 -0.905 1.00 0.25 C ATOM 1010 CG PRO A 115 5.734 -16.756 -0.866 1.00 0.27 C ATOM 1011 CD PRO A 115 6.712 -17.344 -1.842 1.00 0.27 C ATOM 0 HA PRO A 115 5.684 -14.511 -2.957 1.00 0.20 H new ATOM 0 HB2 PRO A 115 6.676 -14.968 -0.159 1.00 0.25 H new ATOM 0 HB3 PRO A 115 5.020 -14.746 -0.688 1.00 0.25 H new ATOM 0 HG2 PRO A 115 5.902 -17.147 0.137 1.00 0.27 H new ATOM 0 HG3 PRO A 115 4.710 -17.010 -1.140 1.00 0.27 H new ATOM 0 HD2 PRO A 115 7.664 -17.581 -1.367 1.00 0.27 H new ATOM 0 HD3 PRO A 115 6.337 -18.268 -2.283 1.00 0.27 H new ATOM 1019 N VAL A 116 7.507 -12.924 -3.049 1.00 0.19 N ATOM 1020 CA VAL A 116 8.562 -11.921 -3.081 1.00 0.19 C ATOM 1021 C VAL A 116 8.020 -10.502 -3.192 1.00 0.21 C ATOM 1022 O VAL A 116 7.168 -10.207 -4.034 1.00 0.40 O ATOM 1023 CB VAL A 116 9.510 -12.175 -4.260 1.00 0.22 C ATOM 1024 CG1 VAL A 116 10.726 -11.276 -4.176 1.00 0.24 C ATOM 1025 CG2 VAL A 116 9.919 -13.636 -4.305 1.00 0.26 C ATOM 0 H VAL A 116 6.720 -12.733 -3.669 1.00 0.19 H new ATOM 0 HA VAL A 116 9.096 -12.010 -2.135 1.00 0.19 H new ATOM 0 HB VAL A 116 8.982 -11.938 -5.184 1.00 0.22 H new ATOM 0 HG11 VAL A 116 11.384 -11.474 -5.022 1.00 0.24 H new ATOM 0 HG12 VAL A 116 10.410 -10.233 -4.198 1.00 0.24 H new ATOM 0 HG13 VAL A 116 11.261 -11.473 -3.247 1.00 0.24 H new ATOM 0 HG21 VAL A 116 10.591 -13.800 -5.147 1.00 0.26 H new ATOM 0 HG22 VAL A 116 10.427 -13.900 -3.378 1.00 0.26 H new ATOM 0 HG23 VAL A 116 9.032 -14.259 -4.423 1.00 0.26 H new ATOM 1035 N VAL A 117 8.522 -9.632 -2.320 1.00 0.24 N ATOM 1036 CA VAL A 117 8.129 -8.231 -2.323 1.00 0.23 C ATOM 1037 C VAL A 117 8.865 -7.471 -3.414 1.00 0.23 C ATOM 1038 O VAL A 117 10.086 -7.316 -3.359 1.00 0.44 O ATOM 1039 CB VAL A 117 8.416 -7.547 -0.975 1.00 0.25 C ATOM 1040 CG1 VAL A 117 7.358 -7.912 0.053 1.00 0.42 C ATOM 1041 CG2 VAL A 117 9.802 -7.918 -0.477 1.00 0.34 C ATOM 0 H VAL A 117 9.204 -9.876 -1.601 1.00 0.24 H new ATOM 0 HA VAL A 117 7.055 -8.210 -2.506 1.00 0.23 H new ATOM 0 HB VAL A 117 8.381 -6.468 -1.124 1.00 0.25 H new ATOM 0 HG11 VAL A 117 7.582 -7.417 0.998 1.00 0.42 H new ATOM 0 HG12 VAL A 117 6.379 -7.590 -0.302 1.00 0.42 H new ATOM 0 HG13 VAL A 117 7.353 -8.992 0.202 1.00 0.42 H new ATOM 0 HG21 VAL A 117 9.989 -7.426 0.477 1.00 0.34 H new ATOM 0 HG22 VAL A 117 9.865 -8.998 -0.347 1.00 0.34 H new ATOM 0 HG23 VAL A 117 10.548 -7.596 -1.204 1.00 0.34 H new ATOM 1051 N LYS A 118 8.123 -6.997 -4.405 1.00 0.35 N ATOM 1052 CA LYS A 118 8.719 -6.261 -5.509 1.00 0.38 C ATOM 1053 C LYS A 118 8.343 -4.785 -5.470 1.00 0.39 C ATOM 1054 O LYS A 118 7.173 -4.428 -5.592 1.00 0.56 O ATOM 1055 CB LYS A 118 8.279 -6.861 -6.845 1.00 0.45 C ATOM 1056 CG LYS A 118 8.822 -8.256 -7.101 1.00 0.52 C ATOM 1057 CD LYS A 118 9.712 -8.287 -8.333 1.00 0.46 C ATOM 1058 CE LYS A 118 10.130 -9.707 -8.680 1.00 0.51 C ATOM 1059 NZ LYS A 118 10.878 -9.769 -9.965 1.00 0.95 N ATOM 0 H LYS A 118 7.111 -7.109 -4.467 1.00 0.35 H new ATOM 0 HA LYS A 118 9.801 -6.342 -5.407 1.00 0.38 H new ATOM 0 HB2 LYS A 118 7.190 -6.894 -6.876 1.00 0.45 H new ATOM 0 HB3 LYS A 118 8.601 -6.203 -7.652 1.00 0.45 H new ATOM 0 HG2 LYS A 118 9.388 -8.593 -6.233 1.00 0.52 H new ATOM 0 HG3 LYS A 118 7.994 -8.952 -7.231 1.00 0.52 H new ATOM 0 HD2 LYS A 118 9.183 -7.845 -9.177 1.00 0.46 H new ATOM 0 HD3 LYS A 118 10.599 -7.677 -8.159 1.00 0.46 H new ATOM 0 HE2 LYS A 118 10.751 -10.108 -7.879 1.00 0.51 H new ATOM 0 HE3 LYS A 118 9.245 -10.340 -8.745 1.00 0.51 H new ATOM 0 HZ1 LYS A 118 11.144 -10.754 -10.164 1.00 0.95 H new ATOM 0 HZ2 LYS A 118 10.277 -9.410 -10.734 1.00 0.95 H new ATOM 0 HZ3 LYS A 118 11.736 -9.186 -9.896 1.00 0.95 H new ATOM 1073 N LEU A 119 9.346 -3.934 -5.299 1.00 0.31 N ATOM 1074 CA LEU A 119 9.124 -2.498 -5.287 1.00 0.37 C ATOM 1075 C LEU A 119 9.226 -2.003 -6.717 1.00 0.44 C ATOM 1076 O LEU A 119 10.001 -2.548 -7.497 1.00 0.90 O ATOM 1077 CB LEU A 119 10.137 -1.784 -4.384 1.00 0.50 C ATOM 1078 CG LEU A 119 9.959 -2.041 -2.886 1.00 0.56 C ATOM 1079 CD1 LEU A 119 10.251 -3.496 -2.555 1.00 0.55 C ATOM 1080 CD2 LEU A 119 10.856 -1.118 -2.075 1.00 0.74 C ATOM 0 H LEU A 119 10.318 -4.214 -5.167 1.00 0.31 H new ATOM 0 HA LEU A 119 8.137 -2.278 -4.881 1.00 0.37 H new ATOM 0 HB2 LEU A 119 11.141 -2.093 -4.674 1.00 0.50 H new ATOM 0 HB3 LEU A 119 10.069 -0.711 -4.564 1.00 0.50 H new ATOM 0 HG LEU A 119 8.922 -1.831 -2.623 1.00 0.56 H new ATOM 0 HD11 LEU A 119 10.119 -3.659 -1.485 1.00 0.55 H new ATOM 0 HD12 LEU A 119 9.566 -4.139 -3.107 1.00 0.55 H new ATOM 0 HD13 LEU A 119 11.277 -3.734 -2.835 1.00 0.55 H new ATOM 0 HD21 LEU A 119 10.715 -1.316 -1.012 1.00 0.74 H new ATOM 0 HD22 LEU A 119 11.898 -1.296 -2.342 1.00 0.74 H new ATOM 0 HD23 LEU A 119 10.598 -0.081 -2.288 1.00 0.74 H new ATOM 1092 N LEU A 120 8.476 -0.964 -7.059 1.00 0.34 N ATOM 1093 CA LEU A 120 8.472 -0.472 -8.429 1.00 0.34 C ATOM 1094 C LEU A 120 8.397 1.046 -8.494 1.00 0.41 C ATOM 1095 O LEU A 120 8.403 1.730 -7.471 1.00 0.45 O ATOM 1096 CB LEU A 120 7.301 -1.077 -9.192 1.00 0.38 C ATOM 1097 CG LEU A 120 7.333 -2.599 -9.297 1.00 0.37 C ATOM 1098 CD1 LEU A 120 6.419 -3.223 -8.257 1.00 0.37 C ATOM 1099 CD2 LEU A 120 6.949 -3.043 -10.699 1.00 0.48 C ATOM 0 H LEU A 120 7.871 -0.452 -6.417 1.00 0.34 H new ATOM 0 HA LEU A 120 9.413 -0.775 -8.888 1.00 0.34 H new ATOM 0 HB2 LEU A 120 6.373 -0.778 -8.704 1.00 0.38 H new ATOM 0 HB3 LEU A 120 7.283 -0.656 -10.197 1.00 0.38 H new ATOM 0 HG LEU A 120 8.349 -2.941 -9.101 1.00 0.37 H new ATOM 0 HD11 LEU A 120 6.454 -4.309 -8.346 1.00 0.37 H new ATOM 0 HD12 LEU A 120 6.749 -2.930 -7.260 1.00 0.37 H new ATOM 0 HD13 LEU A 120 5.397 -2.879 -8.417 1.00 0.37 H new ATOM 0 HD21 LEU A 120 6.977 -4.131 -10.757 1.00 0.48 H new ATOM 0 HD22 LEU A 120 5.942 -2.693 -10.929 1.00 0.48 H new ATOM 0 HD23 LEU A 120 7.652 -2.623 -11.419 1.00 0.48 H new ATOM 1111 N ASP A 121 8.325 1.559 -9.716 1.00 0.45 N ATOM 1112 CA ASP A 121 8.243 2.997 -9.945 1.00 0.54 C ATOM 1113 C ASP A 121 6.927 3.363 -10.616 1.00 0.54 C ATOM 1114 O ASP A 121 6.154 4.166 -10.093 1.00 0.75 O ATOM 1115 CB ASP A 121 9.410 3.467 -10.815 1.00 0.70 C ATOM 1116 CG ASP A 121 9.513 4.979 -10.871 1.00 1.19 C ATOM 1117 OD1 ASP A 121 9.948 5.581 -9.867 1.00 1.50 O ATOM 1118 OD2 ASP A 121 9.164 5.561 -11.920 1.00 1.90 O ATOM 0 H ASP A 121 8.322 0.998 -10.568 1.00 0.45 H new ATOM 0 HA ASP A 121 8.295 3.495 -8.977 1.00 0.54 H new ATOM 0 HB2 ASP A 121 10.341 3.056 -10.424 1.00 0.70 H new ATOM 0 HB3 ASP A 121 9.288 3.076 -11.825 1.00 0.70 H new ATOM 1123 N ALA A 122 6.674 2.766 -11.778 1.00 0.72 N ATOM 1124 CA ALA A 122 5.452 3.043 -12.522 1.00 0.82 C ATOM 1125 C ALA A 122 5.439 2.318 -13.866 1.00 0.93 C ATOM 1126 O ALA A 122 4.386 1.887 -14.336 1.00 1.05 O ATOM 1127 CB ALA A 122 5.310 4.541 -12.729 1.00 0.88 C ATOM 0 H ALA A 122 7.297 2.091 -12.222 1.00 0.72 H new ATOM 0 HA ALA A 122 4.607 2.674 -11.941 1.00 0.82 H new ATOM 0 HB1 ALA A 122 4.396 4.746 -13.286 1.00 0.88 H new ATOM 0 HB2 ALA A 122 5.265 5.039 -11.761 1.00 0.88 H new ATOM 0 HB3 ALA A 122 6.167 4.914 -13.289 1.00 0.88 H new ATOM 1133 N SER A 123 6.611 2.187 -14.480 1.00 0.99 N ATOM 1134 CA SER A 123 6.725 1.519 -15.774 1.00 1.15 C ATOM 1135 C SER A 123 7.022 0.031 -15.608 1.00 1.04 C ATOM 1136 O SER A 123 6.706 -0.774 -16.484 1.00 1.27 O ATOM 1137 CB SER A 123 7.821 2.175 -16.614 1.00 1.31 C ATOM 1138 OG SER A 123 7.934 1.554 -17.883 1.00 1.72 O ATOM 0 H SER A 123 7.494 2.533 -14.104 1.00 0.99 H new ATOM 0 HA SER A 123 5.768 1.621 -16.285 1.00 1.15 H new ATOM 0 HB2 SER A 123 7.599 3.234 -16.743 1.00 1.31 H new ATOM 0 HB3 SER A 123 8.774 2.110 -16.088 1.00 1.31 H new ATOM 0 HG SER A 123 8.641 1.993 -18.400 1.00 1.72 H new ATOM 1144 N GLY A 124 7.626 -0.329 -14.481 1.00 0.83 N ATOM 1145 CA GLY A 124 7.958 -1.720 -14.230 1.00 0.82 C ATOM 1146 C GLY A 124 9.444 -1.942 -14.004 1.00 0.79 C ATOM 1147 O GLY A 124 9.929 -3.071 -14.090 1.00 0.99 O ATOM 0 H GLY A 124 7.892 0.316 -13.737 1.00 0.83 H new ATOM 0 HA2 GLY A 124 7.407 -2.068 -13.356 1.00 0.82 H new ATOM 0 HA3 GLY A 124 7.630 -2.325 -15.075 1.00 0.82 H new ATOM 1151 N LYS A 125 10.167 -0.864 -13.719 1.00 0.72 N ATOM 1152 CA LYS A 125 11.601 -0.940 -13.471 1.00 0.80 C ATOM 1153 C LYS A 125 11.899 -1.929 -12.339 1.00 0.77 C ATOM 1154 O LYS A 125 12.888 -2.660 -12.381 1.00 1.29 O ATOM 1155 CB LYS A 125 12.131 0.475 -13.161 1.00 0.89 C ATOM 1156 CG LYS A 125 13.115 0.571 -12.005 1.00 1.16 C ATOM 1157 CD LYS A 125 14.436 -0.103 -12.322 1.00 1.00 C ATOM 1158 CE LYS A 125 15.298 0.766 -13.224 1.00 1.27 C ATOM 1159 NZ LYS A 125 15.752 2.004 -12.532 1.00 1.47 N ATOM 0 H LYS A 125 9.780 0.077 -13.654 1.00 0.72 H new ATOM 0 HA LYS A 125 12.115 -1.313 -14.357 1.00 0.80 H new ATOM 0 HB2 LYS A 125 12.612 0.868 -14.057 1.00 0.89 H new ATOM 0 HB3 LYS A 125 11.281 1.123 -12.946 1.00 0.89 H new ATOM 0 HG2 LYS A 125 13.292 1.620 -11.766 1.00 1.16 H new ATOM 0 HG3 LYS A 125 12.678 0.112 -11.118 1.00 1.16 H new ATOM 0 HD2 LYS A 125 14.971 -0.312 -11.396 1.00 1.00 H new ATOM 0 HD3 LYS A 125 14.250 -1.062 -12.807 1.00 1.00 H new ATOM 0 HE2 LYS A 125 16.166 0.196 -13.556 1.00 1.27 H new ATOM 0 HE3 LYS A 125 14.733 1.035 -14.117 1.00 1.27 H new ATOM 0 HZ1 LYS A 125 16.582 2.392 -13.024 1.00 1.47 H new ATOM 0 HZ2 LYS A 125 14.985 2.707 -12.539 1.00 1.47 H new ATOM 0 HZ3 LYS A 125 16.006 1.779 -11.549 1.00 1.47 H new ATOM 1173 N VAL A 126 11.031 -1.947 -11.338 1.00 0.62 N ATOM 1174 CA VAL A 126 11.201 -2.819 -10.184 1.00 0.50 C ATOM 1175 C VAL A 126 12.385 -2.354 -9.342 1.00 0.55 C ATOM 1176 O VAL A 126 13.521 -2.787 -9.545 1.00 0.70 O ATOM 1177 CB VAL A 126 11.395 -4.298 -10.583 1.00 0.54 C ATOM 1178 CG1 VAL A 126 11.626 -5.156 -9.346 1.00 0.51 C ATOM 1179 CG2 VAL A 126 10.186 -4.801 -11.354 1.00 0.55 C ATOM 0 H VAL A 126 10.196 -1.363 -11.302 1.00 0.62 H new ATOM 0 HA VAL A 126 10.283 -2.756 -9.600 1.00 0.50 H new ATOM 0 HB VAL A 126 12.273 -4.370 -11.225 1.00 0.54 H new ATOM 0 HG11 VAL A 126 11.761 -6.196 -9.644 1.00 0.51 H new ATOM 0 HG12 VAL A 126 12.518 -4.810 -8.824 1.00 0.51 H new ATOM 0 HG13 VAL A 126 10.764 -5.078 -8.683 1.00 0.51 H new ATOM 0 HG21 VAL A 126 10.338 -5.845 -11.628 1.00 0.55 H new ATOM 0 HG22 VAL A 126 9.296 -4.715 -10.731 1.00 0.55 H new ATOM 0 HG23 VAL A 126 10.056 -4.204 -12.257 1.00 0.55 H new ATOM 1189 N GLN A 127 12.101 -1.467 -8.395 1.00 0.52 N ATOM 1190 CA GLN A 127 13.124 -0.911 -7.521 1.00 0.57 C ATOM 1191 C GLN A 127 13.899 -2.001 -6.785 1.00 0.53 C ATOM 1192 O GLN A 127 15.130 -2.000 -6.787 1.00 0.57 O ATOM 1193 CB GLN A 127 12.493 0.038 -6.499 1.00 0.61 C ATOM 1194 CG GLN A 127 11.753 1.213 -7.118 1.00 0.92 C ATOM 1195 CD GLN A 127 12.662 2.113 -7.931 1.00 1.06 C ATOM 1196 OE1 GLN A 127 12.731 1.862 -9.231 1.00 1.76 O flip ATOM 1197 NE2 GLN A 127 13.287 3.030 -7.397 1.00 1.11 N flip ATOM 0 H GLN A 127 11.161 -1.116 -8.213 1.00 0.52 H new ATOM 0 HA GLN A 127 13.823 -0.363 -8.153 1.00 0.57 H new ATOM 0 HB2 GLN A 127 11.800 -0.526 -5.875 1.00 0.61 H new ATOM 0 HB3 GLN A 127 13.275 0.420 -5.842 1.00 0.61 H new ATOM 0 HG2 GLN A 127 10.954 0.838 -7.757 1.00 0.92 H new ATOM 0 HG3 GLN A 127 11.282 1.797 -6.328 1.00 0.92 H new ATOM 0 HE21 GLN A 127 13.204 3.187 -6.393 1.00 1.11 H new ATOM 0 HE22 GLN A 127 13.888 3.633 -7.959 1.00 1.11 H new ATOM 1206 N GLU A 128 13.183 -2.931 -6.153 1.00 0.51 N ATOM 1207 CA GLU A 128 13.846 -3.994 -5.400 1.00 0.52 C ATOM 1208 C GLU A 128 13.005 -5.262 -5.312 1.00 0.42 C ATOM 1209 O GLU A 128 11.776 -5.217 -5.329 1.00 0.56 O ATOM 1210 CB GLU A 128 14.159 -3.510 -3.983 1.00 0.61 C ATOM 1211 CG GLU A 128 14.598 -2.060 -3.918 1.00 0.71 C ATOM 1212 CD GLU A 128 15.028 -1.642 -2.526 1.00 1.06 C ATOM 1213 OE1 GLU A 128 16.222 -1.804 -2.197 1.00 1.40 O ATOM 1214 OE2 GLU A 128 14.169 -1.151 -1.762 1.00 1.56 O ATOM 0 H GLU A 128 12.164 -2.971 -6.147 1.00 0.51 H new ATOM 0 HA GLU A 128 14.763 -4.236 -5.937 1.00 0.52 H new ATOM 0 HB2 GLU A 128 13.274 -3.641 -3.360 1.00 0.61 H new ATOM 0 HB3 GLU A 128 14.943 -4.137 -3.559 1.00 0.61 H new ATOM 0 HG2 GLU A 128 15.424 -1.903 -4.612 1.00 0.71 H new ATOM 0 HG3 GLU A 128 13.779 -1.421 -4.248 1.00 0.71 H new ATOM 1221 N THR A 129 13.697 -6.392 -5.217 1.00 0.41 N ATOM 1222 CA THR A 129 13.054 -7.692 -5.089 1.00 0.30 C ATOM 1223 C THR A 129 13.589 -8.415 -3.858 1.00 0.29 C ATOM 1224 O THR A 129 14.755 -8.810 -3.820 1.00 0.36 O ATOM 1225 CB THR A 129 13.295 -8.560 -6.341 1.00 0.33 C ATOM 1226 OG1 THR A 129 12.895 -7.857 -7.525 1.00 0.39 O ATOM 1227 CG2 THR A 129 12.537 -9.876 -6.248 1.00 0.29 C ATOM 0 H THR A 129 14.716 -6.432 -5.227 1.00 0.41 H new ATOM 0 HA THR A 129 11.981 -7.529 -4.985 1.00 0.30 H new ATOM 0 HB THR A 129 14.362 -8.775 -6.395 1.00 0.33 H new ATOM 0 HG1 THR A 129 13.056 -8.421 -8.310 1.00 0.39 H new ATOM 0 HG21 THR A 129 12.725 -10.468 -7.144 1.00 0.29 H new ATOM 0 HG22 THR A 129 12.873 -10.428 -5.371 1.00 0.29 H new ATOM 0 HG23 THR A 129 11.469 -9.675 -6.163 1.00 0.29 H new ATOM 1235 N LEU A 130 12.737 -8.590 -2.853 1.00 0.27 N ATOM 1236 CA LEU A 130 13.146 -9.247 -1.616 1.00 0.30 C ATOM 1237 C LEU A 130 12.209 -10.399 -1.274 1.00 0.27 C ATOM 1238 O LEU A 130 11.004 -10.205 -1.124 1.00 0.30 O ATOM 1239 CB LEU A 130 13.165 -8.243 -0.462 1.00 0.38 C ATOM 1240 CG LEU A 130 13.614 -6.828 -0.835 1.00 0.45 C ATOM 1241 CD1 LEU A 130 13.428 -5.885 0.342 1.00 0.55 C ATOM 1242 CD2 LEU A 130 15.064 -6.831 -1.295 1.00 0.52 C ATOM 0 H LEU A 130 11.763 -8.288 -2.870 1.00 0.27 H new ATOM 0 HA LEU A 130 14.150 -9.646 -1.765 1.00 0.30 H new ATOM 0 HB2 LEU A 130 12.164 -8.188 -0.033 1.00 0.38 H new ATOM 0 HB3 LEU A 130 13.825 -8.623 0.318 1.00 0.38 H new ATOM 0 HG LEU A 130 12.995 -6.476 -1.660 1.00 0.45 H new ATOM 0 HD11 LEU A 130 13.752 -4.883 0.060 1.00 0.55 H new ATOM 0 HD12 LEU A 130 12.376 -5.860 0.625 1.00 0.55 H new ATOM 0 HD13 LEU A 130 14.023 -6.235 1.186 1.00 0.55 H new ATOM 0 HD21 LEU A 130 15.365 -5.816 -1.556 1.00 0.52 H new ATOM 0 HD22 LEU A 130 15.700 -7.203 -0.492 1.00 0.52 H new ATOM 0 HD23 LEU A 130 15.168 -7.476 -2.168 1.00 0.52 H new ATOM 1254 N SER A 131 12.765 -11.599 -1.156 1.00 0.28 N ATOM 1255 CA SER A 131 11.965 -12.773 -0.830 1.00 0.29 C ATOM 1256 C SER A 131 11.400 -12.659 0.581 1.00 0.34 C ATOM 1257 O SER A 131 12.008 -12.043 1.456 1.00 0.67 O ATOM 1258 CB SER A 131 12.803 -14.046 -0.960 1.00 0.35 C ATOM 1259 OG SER A 131 12.049 -15.193 -0.606 1.00 0.68 O ATOM 0 H SER A 131 13.760 -11.784 -1.280 1.00 0.28 H new ATOM 0 HA SER A 131 11.136 -12.828 -1.535 1.00 0.29 H new ATOM 0 HB2 SER A 131 13.162 -14.145 -1.984 1.00 0.35 H new ATOM 0 HB3 SER A 131 13.682 -13.973 -0.320 1.00 0.35 H new ATOM 0 HG SER A 131 12.607 -15.993 -0.699 1.00 0.68 H new ATOM 1265 N ILE A 132 10.233 -13.255 0.796 1.00 0.31 N ATOM 1266 CA ILE A 132 9.582 -13.208 2.099 1.00 0.32 C ATOM 1267 C ILE A 132 9.044 -14.575 2.501 1.00 0.38 C ATOM 1268 O ILE A 132 8.048 -14.675 3.219 1.00 0.82 O ATOM 1269 CB ILE A 132 8.427 -12.191 2.094 1.00 0.29 C ATOM 1270 CG1 ILE A 132 7.392 -12.580 1.037 1.00 0.37 C ATOM 1271 CG2 ILE A 132 8.965 -10.789 1.833 1.00 0.38 C ATOM 1272 CD1 ILE A 132 6.211 -11.637 0.967 1.00 0.49 C ATOM 0 H ILE A 132 9.719 -13.776 0.085 1.00 0.31 H new ATOM 0 HA ILE A 132 10.335 -12.900 2.825 1.00 0.32 H new ATOM 0 HB ILE A 132 7.942 -12.196 3.070 1.00 0.29 H new ATOM 0 HG12 ILE A 132 7.877 -12.614 0.061 1.00 0.37 H new ATOM 0 HG13 ILE A 132 7.030 -13.586 1.248 1.00 0.37 H new ATOM 0 HG21 ILE A 132 8.140 -10.077 1.831 1.00 0.38 H new ATOM 0 HG22 ILE A 132 9.675 -10.520 2.615 1.00 0.38 H new ATOM 0 HG23 ILE A 132 9.466 -10.766 0.865 1.00 0.38 H new ATOM 0 HD11 ILE A 132 5.520 -11.976 0.196 1.00 0.49 H new ATOM 0 HD12 ILE A 132 5.701 -11.621 1.930 1.00 0.49 H new ATOM 0 HD13 ILE A 132 6.561 -10.633 0.725 1.00 0.49 H new ATOM 1284 N THR A 133 9.707 -15.626 2.034 1.00 0.43 N ATOM 1285 CA THR A 133 9.298 -16.988 2.347 1.00 0.42 C ATOM 1286 C THR A 133 9.244 -17.215 3.852 1.00 0.59 C ATOM 1287 O THR A 133 8.336 -17.874 4.359 1.00 0.91 O ATOM 1288 CB THR A 133 10.252 -18.014 1.712 1.00 0.35 C ATOM 1289 OG1 THR A 133 11.592 -17.783 2.164 1.00 0.44 O ATOM 1290 CG2 THR A 133 10.200 -17.922 0.194 1.00 0.42 C ATOM 0 H THR A 133 10.531 -15.560 1.437 1.00 0.43 H new ATOM 0 HA THR A 133 8.300 -17.126 1.931 1.00 0.42 H new ATOM 0 HB THR A 133 9.937 -19.013 2.015 1.00 0.35 H new ATOM 0 HG1 THR A 133 12.193 -18.441 1.757 1.00 0.44 H new ATOM 0 HG21 THR A 133 10.881 -18.655 -0.238 1.00 0.42 H new ATOM 0 HG22 THR A 133 9.185 -18.124 -0.148 1.00 0.42 H new ATOM 0 HG23 THR A 133 10.497 -16.921 -0.120 1.00 0.42 H new ATOM 1298 N LYS A 134 10.222 -16.667 4.562 1.00 0.54 N ATOM 1299 CA LYS A 134 10.278 -16.799 6.012 1.00 0.71 C ATOM 1300 C LYS A 134 10.676 -15.472 6.649 1.00 0.81 C ATOM 1301 O LYS A 134 9.865 -14.840 7.322 1.00 1.49 O ATOM 1302 CB LYS A 134 11.266 -17.897 6.411 1.00 0.78 C ATOM 1303 CG LYS A 134 11.261 -19.089 5.471 1.00 1.11 C ATOM 1304 CD LYS A 134 12.341 -20.093 5.844 1.00 1.54 C ATOM 1305 CE LYS A 134 13.726 -19.467 5.793 1.00 1.87 C ATOM 1306 NZ LYS A 134 14.795 -20.459 6.092 1.00 2.49 N ATOM 0 H LYS A 134 10.987 -16.127 4.157 1.00 0.54 H new ATOM 0 HA LYS A 134 9.288 -17.076 6.373 1.00 0.71 H new ATOM 0 HB2 LYS A 134 12.271 -17.476 6.445 1.00 0.78 H new ATOM 0 HB3 LYS A 134 11.030 -18.238 7.419 1.00 0.78 H new ATOM 0 HG2 LYS A 134 10.285 -19.574 5.501 1.00 1.11 H new ATOM 0 HG3 LYS A 134 11.417 -18.748 4.447 1.00 1.11 H new ATOM 0 HD2 LYS A 134 12.151 -20.478 6.846 1.00 1.54 H new ATOM 0 HD3 LYS A 134 12.300 -20.943 5.163 1.00 1.54 H new ATOM 0 HE2 LYS A 134 13.895 -19.038 4.805 1.00 1.87 H new ATOM 0 HE3 LYS A 134 13.781 -18.647 6.510 1.00 1.87 H new ATOM 0 HZ1 LYS A 134 15.724 -19.993 6.047 1.00 2.49 H new ATOM 0 HZ2 LYS A 134 14.649 -20.850 7.045 1.00 2.49 H new ATOM 0 HZ3 LYS A 134 14.760 -21.228 5.393 1.00 2.49 H new ATOM 1320 N TRP A 135 11.928 -15.061 6.417 1.00 0.65 N ATOM 1321 CA TRP A 135 12.471 -13.804 6.946 1.00 0.69 C ATOM 1322 C TRP A 135 11.865 -13.397 8.292 1.00 0.84 C ATOM 1323 O TRP A 135 12.407 -13.716 9.351 1.00 1.14 O ATOM 1324 CB TRP A 135 12.271 -12.678 5.929 1.00 0.85 C ATOM 1325 CG TRP A 135 13.393 -12.556 4.947 1.00 0.72 C ATOM 1326 CD1 TRP A 135 14.331 -13.503 4.650 1.00 0.87 C ATOM 1327 CD2 TRP A 135 13.697 -11.419 4.131 1.00 0.66 C ATOM 1328 NE1 TRP A 135 15.202 -13.023 3.701 1.00 0.95 N ATOM 1329 CE2 TRP A 135 14.833 -11.747 3.366 1.00 0.86 C ATOM 1330 CE3 TRP A 135 13.119 -10.156 3.972 1.00 0.63 C ATOM 1331 CZ2 TRP A 135 15.401 -10.857 2.459 1.00 1.06 C ATOM 1332 CZ3 TRP A 135 13.684 -9.274 3.070 1.00 0.80 C ATOM 1333 CH2 TRP A 135 14.815 -9.628 2.323 1.00 1.03 C ATOM 0 H TRP A 135 12.595 -15.592 5.856 1.00 0.65 H new ATOM 0 HA TRP A 135 13.533 -13.976 7.119 1.00 0.69 H new ATOM 0 HB2 TRP A 135 11.341 -12.849 5.387 1.00 0.85 H new ATOM 0 HB3 TRP A 135 12.160 -11.733 6.461 1.00 0.85 H new ATOM 0 HD1 TRP A 135 14.381 -14.486 5.096 1.00 0.87 H new ATOM 0 HE1 TRP A 135 15.994 -13.534 3.310 1.00 0.95 H new ATOM 0 HE3 TRP A 135 12.247 -9.875 4.544 1.00 0.63 H new ATOM 0 HZ2 TRP A 135 16.274 -11.127 1.883 1.00 1.06 H new ATOM 0 HZ3 TRP A 135 13.246 -8.295 2.939 1.00 0.80 H new ATOM 0 HH2 TRP A 135 15.233 -8.917 1.626 1.00 1.03 H new ATOM 1344 N ASN A 136 10.736 -12.695 8.240 1.00 0.77 N ATOM 1345 CA ASN A 136 10.071 -12.223 9.451 1.00 0.99 C ATOM 1346 C ASN A 136 8.551 -12.152 9.286 1.00 0.71 C ATOM 1347 O ASN A 136 7.818 -12.262 10.268 1.00 0.76 O ATOM 1348 CB ASN A 136 10.610 -10.846 9.842 1.00 1.35 C ATOM 1349 CG ASN A 136 10.330 -9.796 8.784 1.00 1.29 C ATOM 1350 OD1 ASN A 136 9.189 -9.126 8.902 1.00 1.94 O flip ATOM 1351 ND2 ASN A 136 11.129 -9.588 7.872 1.00 1.38 N flip ATOM 0 H ASN A 136 10.263 -12.441 7.373 1.00 0.77 H new ATOM 0 HA ASN A 136 10.285 -12.944 10.240 1.00 0.99 H new ATOM 0 HB2 ASN A 136 10.160 -10.537 10.785 1.00 1.35 H new ATOM 0 HB3 ASN A 136 11.685 -10.913 10.008 1.00 1.35 H new ATOM 0 HD21 ASN A 136 11.994 -10.126 7.819 1.00 1.38 H new ATOM 0 HD22 ASN A 136 10.926 -8.878 7.169 1.00 1.38 H new ATOM 1358 N THR A 137 8.080 -11.936 8.054 1.00 0.53 N ATOM 1359 CA THR A 137 6.652 -11.859 7.778 1.00 0.44 C ATOM 1360 C THR A 137 5.968 -10.898 8.743 1.00 0.40 C ATOM 1361 O THR A 137 6.638 -10.225 9.521 1.00 0.38 O ATOM 1362 CB THR A 137 5.988 -13.251 7.837 1.00 0.66 C ATOM 1363 OG1 THR A 137 4.681 -13.196 7.255 1.00 0.96 O ATOM 1364 CG2 THR A 137 5.884 -13.769 9.264 1.00 0.69 C ATOM 0 H THR A 137 8.673 -11.812 7.233 1.00 0.53 H new ATOM 0 HA THR A 137 6.533 -11.477 6.764 1.00 0.44 H new ATOM 0 HB THR A 137 6.619 -13.938 7.273 1.00 0.66 H new ATOM 0 HG1 THR A 137 4.267 -14.084 7.295 1.00 0.96 H new ATOM 0 HG21 THR A 137 5.411 -14.751 9.261 1.00 0.69 H new ATOM 0 HG22 THR A 137 6.882 -13.848 9.696 1.00 0.69 H new ATOM 0 HG23 THR A 137 5.285 -13.079 9.859 1.00 0.69 H new ATOM 1372 N ASP A 138 4.639 -10.832 8.690 1.00 0.41 N ATOM 1373 CA ASP A 138 3.887 -9.925 9.554 1.00 0.41 C ATOM 1374 C ASP A 138 4.300 -8.482 9.274 1.00 0.35 C ATOM 1375 O ASP A 138 3.602 -7.744 8.571 1.00 0.35 O ATOM 1376 CB ASP A 138 4.118 -10.269 11.028 1.00 0.45 C ATOM 1377 CG ASP A 138 3.441 -9.287 11.963 1.00 1.21 C ATOM 1378 OD1 ASP A 138 4.070 -8.262 12.304 1.00 1.97 O ATOM 1379 OD2 ASP A 138 2.283 -9.542 12.355 1.00 1.91 O ATOM 0 H ASP A 138 4.064 -11.393 8.061 1.00 0.41 H new ATOM 0 HA ASP A 138 2.824 -10.038 9.341 1.00 0.41 H new ATOM 0 HB2 ASP A 138 3.744 -11.273 11.227 1.00 0.45 H new ATOM 0 HB3 ASP A 138 5.189 -10.282 11.232 1.00 0.45 H new ATOM 1384 N THR A 139 5.442 -8.080 9.825 1.00 0.34 N ATOM 1385 CA THR A 139 5.959 -6.742 9.600 1.00 0.33 C ATOM 1386 C THR A 139 6.044 -6.469 8.102 1.00 0.31 C ATOM 1387 O THR A 139 6.017 -5.320 7.668 1.00 0.34 O ATOM 1388 CB THR A 139 7.348 -6.557 10.236 1.00 0.36 C ATOM 1389 OG1 THR A 139 7.278 -6.812 11.645 1.00 1.01 O ATOM 1390 CG2 THR A 139 7.871 -5.149 9.997 1.00 0.98 C ATOM 0 H THR A 139 6.022 -8.663 10.428 1.00 0.34 H new ATOM 0 HA THR A 139 5.275 -6.035 10.070 1.00 0.33 H new ATOM 0 HB THR A 139 8.034 -7.265 9.771 1.00 0.36 H new ATOM 0 HG1 THR A 139 8.166 -6.694 12.043 1.00 1.01 H new ATOM 0 HG21 THR A 139 8.854 -5.043 10.456 1.00 0.98 H new ATOM 0 HG22 THR A 139 7.950 -4.967 8.925 1.00 0.98 H new ATOM 0 HG23 THR A 139 7.185 -4.426 10.438 1.00 0.98 H new ATOM 1398 N VAL A 140 6.150 -7.544 7.317 1.00 0.31 N ATOM 1399 CA VAL A 140 6.210 -7.423 5.866 1.00 0.31 C ATOM 1400 C VAL A 140 5.005 -6.635 5.365 1.00 0.30 C ATOM 1401 O VAL A 140 5.137 -5.707 4.563 1.00 0.31 O ATOM 1402 CB VAL A 140 6.246 -8.808 5.189 1.00 0.33 C ATOM 1403 CG1 VAL A 140 5.054 -9.648 5.614 1.00 0.33 C ATOM 1404 CG2 VAL A 140 6.299 -8.669 3.674 1.00 0.36 C ATOM 0 H VAL A 140 6.196 -8.502 7.664 1.00 0.31 H new ATOM 0 HA VAL A 140 7.128 -6.896 5.607 1.00 0.31 H new ATOM 0 HB VAL A 140 7.152 -9.320 5.513 1.00 0.33 H new ATOM 0 HG11 VAL A 140 5.101 -10.620 5.124 1.00 0.33 H new ATOM 0 HG12 VAL A 140 5.073 -9.785 6.695 1.00 0.33 H new ATOM 0 HG13 VAL A 140 4.132 -9.142 5.328 1.00 0.33 H new ATOM 0 HG21 VAL A 140 6.324 -9.659 3.218 1.00 0.36 H new ATOM 0 HG22 VAL A 140 5.416 -8.132 3.327 1.00 0.36 H new ATOM 0 HG23 VAL A 140 7.195 -8.117 3.390 1.00 0.36 H new ATOM 1414 N GLU A 141 3.825 -7.009 5.852 1.00 0.29 N ATOM 1415 CA GLU A 141 2.600 -6.318 5.479 1.00 0.29 C ATOM 1416 C GLU A 141 2.740 -4.849 5.839 1.00 0.27 C ATOM 1417 O GLU A 141 2.314 -3.964 5.097 1.00 0.27 O ATOM 1418 CB GLU A 141 1.397 -6.927 6.199 1.00 0.33 C ATOM 1419 CG GLU A 141 0.083 -6.227 5.889 1.00 0.32 C ATOM 1420 CD GLU A 141 -1.091 -6.833 6.631 1.00 0.36 C ATOM 1421 OE1 GLU A 141 -1.113 -6.752 7.877 1.00 0.58 O ATOM 1422 OE2 GLU A 141 -1.991 -7.389 5.966 1.00 0.47 O ATOM 0 H GLU A 141 3.694 -7.783 6.503 1.00 0.29 H new ATOM 0 HA GLU A 141 2.436 -6.422 4.406 1.00 0.29 H new ATOM 0 HB2 GLU A 141 1.313 -7.978 5.923 1.00 0.33 H new ATOM 0 HB3 GLU A 141 1.572 -6.893 7.274 1.00 0.33 H new ATOM 0 HG2 GLU A 141 0.167 -5.172 6.150 1.00 0.32 H new ATOM 0 HG3 GLU A 141 -0.106 -6.276 4.817 1.00 0.32 H new ATOM 1429 N GLU A 142 3.343 -4.607 6.997 1.00 0.27 N ATOM 1430 CA GLU A 142 3.585 -3.250 7.467 1.00 0.28 C ATOM 1431 C GLU A 142 4.679 -2.599 6.627 1.00 0.25 C ATOM 1432 O GLU A 142 4.735 -1.383 6.483 1.00 0.26 O ATOM 1433 CB GLU A 142 4.000 -3.267 8.937 1.00 0.34 C ATOM 1434 CG GLU A 142 4.061 -1.888 9.568 1.00 0.39 C ATOM 1435 CD GLU A 142 4.451 -1.933 11.032 1.00 0.48 C ATOM 1436 OE1 GLU A 142 5.666 -1.918 11.325 1.00 0.84 O ATOM 1437 OE2 GLU A 142 3.542 -1.983 11.888 1.00 0.86 O ATOM 0 H GLU A 142 3.674 -5.336 7.629 1.00 0.27 H new ATOM 0 HA GLU A 142 2.665 -2.673 7.368 1.00 0.28 H new ATOM 0 HB2 GLU A 142 3.296 -3.883 9.497 1.00 0.34 H new ATOM 0 HB3 GLU A 142 4.978 -3.741 9.024 1.00 0.34 H new ATOM 0 HG2 GLU A 142 4.779 -1.275 9.023 1.00 0.39 H new ATOM 0 HG3 GLU A 142 3.089 -1.404 9.469 1.00 0.39 H new ATOM 1444 N PHE A 143 5.556 -3.427 6.081 1.00 0.24 N ATOM 1445 CA PHE A 143 6.647 -2.947 5.243 1.00 0.24 C ATOM 1446 C PHE A 143 6.128 -1.997 4.174 1.00 0.22 C ATOM 1447 O PHE A 143 6.678 -0.919 3.961 1.00 0.27 O ATOM 1448 CB PHE A 143 7.345 -4.128 4.573 1.00 0.25 C ATOM 1449 CG PHE A 143 8.701 -3.798 4.022 1.00 0.28 C ATOM 1450 CD1 PHE A 143 9.595 -3.027 4.749 1.00 0.58 C ATOM 1451 CD2 PHE A 143 9.080 -4.259 2.773 1.00 0.64 C ATOM 1452 CE1 PHE A 143 10.843 -2.724 4.237 1.00 0.61 C ATOM 1453 CE2 PHE A 143 10.326 -3.960 2.256 1.00 0.68 C ATOM 1454 CZ PHE A 143 11.208 -3.191 2.989 1.00 0.40 C ATOM 0 H PHE A 143 5.534 -4.439 6.203 1.00 0.24 H new ATOM 0 HA PHE A 143 7.355 -2.412 5.876 1.00 0.24 H new ATOM 0 HB2 PHE A 143 7.444 -4.937 5.297 1.00 0.25 H new ATOM 0 HB3 PHE A 143 6.715 -4.499 3.764 1.00 0.25 H new ATOM 0 HD1 PHE A 143 9.314 -2.660 5.725 1.00 0.58 H new ATOM 0 HD2 PHE A 143 8.393 -4.860 2.195 1.00 0.64 H new ATOM 0 HE1 PHE A 143 11.532 -2.123 4.812 1.00 0.61 H new ATOM 0 HE2 PHE A 143 10.609 -4.327 1.281 1.00 0.68 H new ATOM 0 HZ PHE A 143 12.182 -2.955 2.587 1.00 0.40 H new ATOM 1464 N PHE A 144 5.058 -2.410 3.510 1.00 0.21 N ATOM 1465 CA PHE A 144 4.461 -1.612 2.439 1.00 0.23 C ATOM 1466 C PHE A 144 3.593 -0.457 2.954 1.00 0.24 C ATOM 1467 O PHE A 144 3.828 0.700 2.606 1.00 0.34 O ATOM 1468 CB PHE A 144 3.623 -2.508 1.526 1.00 0.24 C ATOM 1469 CG PHE A 144 4.434 -3.501 0.744 1.00 0.26 C ATOM 1470 CD1 PHE A 144 5.414 -3.075 -0.138 1.00 0.90 C ATOM 1471 CD2 PHE A 144 4.213 -4.861 0.890 1.00 0.91 C ATOM 1472 CE1 PHE A 144 6.158 -3.989 -0.860 1.00 0.93 C ATOM 1473 CE2 PHE A 144 4.953 -5.779 0.168 1.00 0.94 C ATOM 1474 CZ PHE A 144 5.927 -5.341 -0.708 1.00 0.42 C ATOM 0 H PHE A 144 4.582 -3.294 3.691 1.00 0.21 H new ATOM 0 HA PHE A 144 5.289 -1.168 1.887 1.00 0.23 H new ATOM 0 HB2 PHE A 144 2.892 -3.045 2.130 1.00 0.24 H new ATOM 0 HB3 PHE A 144 3.064 -1.882 0.831 1.00 0.24 H new ATOM 0 HD1 PHE A 144 5.598 -2.018 -0.263 1.00 0.90 H new ATOM 0 HD2 PHE A 144 3.454 -5.208 1.576 1.00 0.91 H new ATOM 0 HE1 PHE A 144 6.920 -3.645 -1.543 1.00 0.93 H new ATOM 0 HE2 PHE A 144 4.770 -6.836 0.289 1.00 0.94 H new ATOM 0 HZ PHE A 144 6.507 -6.056 -1.273 1.00 0.42 H new ATOM 1484 N GLU A 145 2.596 -0.770 3.782 1.00 0.22 N ATOM 1485 CA GLU A 145 1.668 0.244 4.301 1.00 0.27 C ATOM 1486 C GLU A 145 2.363 1.560 4.657 1.00 0.31 C ATOM 1487 O GLU A 145 1.752 2.625 4.575 1.00 0.39 O ATOM 1488 CB GLU A 145 0.909 -0.294 5.514 1.00 0.30 C ATOM 1489 CG GLU A 145 1.742 -0.366 6.778 1.00 0.27 C ATOM 1490 CD GLU A 145 1.714 0.928 7.570 1.00 0.45 C ATOM 1491 OE1 GLU A 145 0.756 1.127 8.346 1.00 0.87 O ATOM 1492 OE2 GLU A 145 2.647 1.742 7.412 1.00 1.22 O ATOM 0 H GLU A 145 2.407 -1.717 4.110 1.00 0.22 H new ATOM 0 HA GLU A 145 0.964 0.461 3.497 1.00 0.27 H new ATOM 0 HB2 GLU A 145 0.042 0.340 5.698 1.00 0.30 H new ATOM 0 HB3 GLU A 145 0.532 -1.290 5.282 1.00 0.30 H new ATOM 0 HG2 GLU A 145 1.375 -1.179 7.405 1.00 0.27 H new ATOM 0 HG3 GLU A 145 2.773 -0.605 6.516 1.00 0.27 H new ATOM 1499 N THR A 146 3.630 1.493 5.053 1.00 0.30 N ATOM 1500 CA THR A 146 4.371 2.706 5.405 1.00 0.39 C ATOM 1501 C THR A 146 5.345 3.104 4.298 1.00 0.38 C ATOM 1502 O THR A 146 5.549 4.291 4.040 1.00 0.58 O ATOM 1503 CB THR A 146 5.130 2.572 6.748 1.00 0.51 C ATOM 1504 OG1 THR A 146 6.330 3.356 6.734 1.00 0.99 O ATOM 1505 CG2 THR A 146 5.467 1.125 7.052 1.00 0.51 C ATOM 0 H THR A 146 4.162 0.627 5.139 1.00 0.30 H new ATOM 0 HA THR A 146 3.624 3.491 5.523 1.00 0.39 H new ATOM 0 HB THR A 146 4.470 2.944 7.532 1.00 0.51 H new ATOM 0 HG1 THR A 146 6.794 3.259 7.592 1.00 0.99 H new ATOM 0 HG21 THR A 146 5.999 1.067 8.001 1.00 0.51 H new ATOM 0 HG22 THR A 146 4.548 0.543 7.115 1.00 0.51 H new ATOM 0 HG23 THR A 146 6.097 0.724 6.258 1.00 0.51 H new ATOM 1513 N HIS A 147 5.948 2.114 3.648 1.00 0.30 N ATOM 1514 CA HIS A 147 6.892 2.381 2.568 1.00 0.31 C ATOM 1515 C HIS A 147 6.175 2.906 1.327 1.00 0.30 C ATOM 1516 O HIS A 147 6.803 3.474 0.433 1.00 0.39 O ATOM 1517 CB HIS A 147 7.682 1.119 2.218 1.00 0.35 C ATOM 1518 CG HIS A 147 8.762 0.797 3.204 1.00 0.56 C ATOM 1519 ND1 HIS A 147 8.711 0.696 4.556 1.00 1.34 N flip ATOM 1520 CD2 HIS A 147 10.069 0.543 2.854 1.00 1.26 C flip ATOM 1521 CE1 HIS A 147 9.979 0.380 5.039 1.00 1.32 C flip ATOM 1522 NE2 HIS A 147 10.757 0.299 3.977 1.00 1.20 N flip ATOM 0 H HIS A 147 5.801 1.125 3.848 1.00 0.30 H new ATOM 0 HA HIS A 147 7.585 3.147 2.916 1.00 0.31 H new ATOM 0 HB2 HIS A 147 6.995 0.275 2.156 1.00 0.35 H new ATOM 0 HB3 HIS A 147 8.127 1.241 1.231 1.00 0.35 H new ATOM 0 HD2 HIS A 147 10.469 0.541 1.851 1.00 1.26 H new ATOM 0 HE1 HIS A 147 10.266 0.232 6.070 1.00 1.32 H new ATOM 0 HE2 HIS A 147 11.753 0.079 4.007 1.00 1.20 H new ATOM 1530 N LEU A 148 4.861 2.707 1.269 1.00 0.27 N ATOM 1531 CA LEU A 148 4.075 3.175 0.137 1.00 0.30 C ATOM 1532 C LEU A 148 3.390 4.494 0.464 1.00 0.31 C ATOM 1533 O LEU A 148 3.358 4.923 1.617 1.00 0.29 O ATOM 1534 CB LEU A 148 3.033 2.128 -0.266 1.00 0.35 C ATOM 1535 CG LEU A 148 3.577 0.713 -0.486 1.00 0.37 C ATOM 1536 CD1 LEU A 148 2.548 -0.156 -1.197 1.00 0.54 C ATOM 1537 CD2 LEU A 148 4.875 0.755 -1.281 1.00 0.44 C ATOM 0 H LEU A 148 4.322 2.227 1.990 1.00 0.27 H new ATOM 0 HA LEU A 148 4.754 3.334 -0.701 1.00 0.30 H new ATOM 0 HB2 LEU A 148 2.265 2.088 0.506 1.00 0.35 H new ATOM 0 HB3 LEU A 148 2.546 2.459 -1.183 1.00 0.35 H new ATOM 0 HG LEU A 148 3.783 0.273 0.490 1.00 0.37 H new ATOM 0 HD11 LEU A 148 2.955 -1.156 -1.343 1.00 0.54 H new ATOM 0 HD12 LEU A 148 1.643 -0.217 -0.592 1.00 0.54 H new ATOM 0 HD13 LEU A 148 2.308 0.283 -2.165 1.00 0.54 H new ATOM 0 HD21 LEU A 148 5.245 -0.260 -1.427 1.00 0.44 H new ATOM 0 HD22 LEU A 148 4.693 1.218 -2.251 1.00 0.44 H new ATOM 0 HD23 LEU A 148 5.617 1.337 -0.735 1.00 0.44 H new ATOM 1549 N ALA A 149 2.847 5.130 -0.562 1.00 0.42 N ATOM 1550 CA ALA A 149 2.167 6.405 -0.403 1.00 0.48 C ATOM 1551 C ALA A 149 0.808 6.383 -1.093 1.00 0.62 C ATOM 1552 O ALA A 149 0.653 5.786 -2.159 1.00 0.81 O ATOM 1553 CB ALA A 149 3.034 7.519 -0.962 1.00 0.59 C ATOM 0 H ALA A 149 2.865 4.781 -1.520 1.00 0.42 H new ATOM 0 HA ALA A 149 1.999 6.585 0.659 1.00 0.48 H new ATOM 0 HB1 ALA A 149 2.522 8.474 -0.842 1.00 0.59 H new ATOM 0 HB2 ALA A 149 3.983 7.546 -0.426 1.00 0.59 H new ATOM 0 HB3 ALA A 149 3.221 7.338 -2.021 1.00 0.59 H new ATOM 1559 N LYS A 150 -0.172 7.036 -0.480 1.00 0.82 N ATOM 1560 CA LYS A 150 -1.520 7.082 -1.033 1.00 1.02 C ATOM 1561 C LYS A 150 -1.527 7.732 -2.413 1.00 1.37 C ATOM 1562 O LYS A 150 -1.826 8.919 -2.549 1.00 1.93 O ATOM 1563 CB LYS A 150 -2.455 7.842 -0.091 1.00 1.54 C ATOM 1564 CG LYS A 150 -2.375 7.374 1.352 1.00 2.05 C ATOM 1565 CD LYS A 150 -2.742 5.906 1.470 1.00 2.53 C ATOM 1566 CE LYS A 150 -2.898 5.483 2.922 1.00 3.44 C ATOM 1567 NZ LYS A 150 -1.674 5.772 3.722 1.00 3.94 N ATOM 0 H LYS A 150 -0.059 7.540 0.399 1.00 0.82 H new ATOM 0 HA LYS A 150 -1.875 6.057 -1.137 1.00 1.02 H new ATOM 0 HB2 LYS A 150 -2.215 8.904 -0.134 1.00 1.54 H new ATOM 0 HB3 LYS A 150 -3.481 7.732 -0.444 1.00 1.54 H new ATOM 0 HG2 LYS A 150 -1.366 7.532 1.734 1.00 2.05 H new ATOM 0 HG3 LYS A 150 -3.046 7.971 1.969 1.00 2.05 H new ATOM 0 HD2 LYS A 150 -3.672 5.719 0.934 1.00 2.53 H new ATOM 0 HD3 LYS A 150 -1.972 5.299 0.994 1.00 2.53 H new ATOM 0 HE2 LYS A 150 -3.749 6.003 3.362 1.00 3.44 H new ATOM 0 HE3 LYS A 150 -3.117 4.416 2.967 1.00 3.44 H new ATOM 0 HZ1 LYS A 150 -1.762 5.334 4.661 1.00 3.94 H new ATOM 0 HZ2 LYS A 150 -0.841 5.383 3.235 1.00 3.94 H new ATOM 0 HZ3 LYS A 150 -1.564 6.801 3.829 1.00 3.94 H new ATOM 1581 N ASP A 151 -1.197 6.947 -3.434 1.00 1.77 N ATOM 1582 CA ASP A 151 -1.169 7.443 -4.805 1.00 2.55 C ATOM 1583 C ASP A 151 -1.943 6.513 -5.732 1.00 3.14 C ATOM 1584 O ASP A 151 -1.441 5.463 -6.136 1.00 3.61 O ATOM 1585 CB ASP A 151 0.273 7.583 -5.298 1.00 3.23 C ATOM 1586 CG ASP A 151 1.067 8.591 -4.490 1.00 3.60 C ATOM 1587 OD1 ASP A 151 0.940 9.803 -4.765 1.00 3.82 O ATOM 1588 OD2 ASP A 151 1.817 8.169 -3.587 1.00 4.15 O ATOM 0 H ASP A 151 -0.945 5.963 -3.337 1.00 1.77 H new ATOM 0 HA ASP A 151 -1.643 8.424 -4.816 1.00 2.55 H new ATOM 0 HB2 ASP A 151 0.767 6.612 -5.248 1.00 3.23 H new ATOM 0 HB3 ASP A 151 0.268 7.885 -6.345 1.00 3.23 H new ATOM 1593 N GLY A 152 -3.168 6.904 -6.068 1.00 3.70 N ATOM 1594 CA GLY A 152 -3.990 6.091 -6.943 1.00 4.64 C ATOM 1595 C GLY A 152 -3.824 6.460 -8.403 1.00 5.07 C ATOM 1596 O GLY A 152 -3.269 7.511 -8.727 1.00 4.98 O ATOM 0 H GLY A 152 -3.605 7.769 -5.750 1.00 3.70 H new ATOM 0 HA2 GLY A 152 -3.733 5.041 -6.806 1.00 4.64 H new ATOM 0 HA3 GLY A 152 -5.037 6.203 -6.660 1.00 4.64 H new ATOM 1600 N ALA A 153 -4.307 5.593 -9.285 1.00 5.91 N ATOM 1601 CA ALA A 153 -4.210 5.826 -10.720 1.00 6.67 C ATOM 1602 C ALA A 153 -5.056 4.820 -11.493 1.00 7.47 C ATOM 1603 O ALA A 153 -4.696 4.408 -12.595 1.00 7.95 O ATOM 1604 CB ALA A 153 -2.759 5.750 -11.166 1.00 7.12 C ATOM 0 H ALA A 153 -4.771 4.721 -9.030 1.00 5.91 H new ATOM 0 HA ALA A 153 -4.593 6.824 -10.932 1.00 6.67 H new ATOM 0 HB1 ALA A 153 -2.699 5.926 -12.240 1.00 7.12 H new ATOM 0 HB2 ALA A 153 -2.177 6.508 -10.641 1.00 7.12 H new ATOM 0 HB3 ALA A 153 -2.359 4.762 -10.937 1.00 7.12 H new ATOM 1610 N GLY A 154 -6.181 4.430 -10.904 1.00 7.87 N ATOM 1611 CA GLY A 154 -7.061 3.473 -11.547 1.00 8.80 C ATOM 1612 C GLY A 154 -7.693 2.520 -10.554 1.00 9.17 C ATOM 1613 O GLY A 154 -7.199 1.411 -10.345 1.00 9.41 O ATOM 0 H GLY A 154 -6.499 4.760 -9.993 1.00 7.87 H new ATOM 0 HA2 GLY A 154 -7.844 4.007 -12.085 1.00 8.80 H new ATOM 0 HA3 GLY A 154 -6.498 2.904 -12.286 1.00 8.80 H new ATOM 1617 N LYS A 155 -8.788 2.951 -9.941 1.00 9.48 N ATOM 1618 CA LYS A 155 -9.487 2.132 -8.957 1.00 10.11 C ATOM 1619 C LYS A 155 -10.139 0.922 -9.617 1.00 11.18 C ATOM 1620 O LYS A 155 -11.288 0.985 -10.054 1.00 11.63 O ATOM 1621 CB LYS A 155 -10.544 2.965 -8.229 1.00 9.88 C ATOM 1622 CG LYS A 155 -10.054 4.327 -7.794 1.00 9.22 C ATOM 1623 CD LYS A 155 -8.699 4.248 -7.110 1.00 8.96 C ATOM 1624 CE LYS A 155 -8.767 3.440 -5.824 1.00 9.65 C ATOM 1625 NZ LYS A 155 -9.666 4.072 -4.820 1.00 9.73 N ATOM 0 H LYS A 155 -9.212 3.864 -10.107 1.00 9.48 H new ATOM 0 HA LYS A 155 -8.755 1.774 -8.233 1.00 10.11 H new ATOM 0 HB2 LYS A 155 -11.407 3.091 -8.883 1.00 9.88 H new ATOM 0 HB3 LYS A 155 -10.886 2.415 -7.352 1.00 9.88 H new ATOM 0 HG2 LYS A 155 -9.985 4.983 -8.662 1.00 9.22 H new ATOM 0 HG3 LYS A 155 -10.779 4.774 -7.114 1.00 9.22 H new ATOM 0 HD2 LYS A 155 -7.975 3.795 -7.787 1.00 8.96 H new ATOM 0 HD3 LYS A 155 -8.343 5.254 -6.890 1.00 8.96 H new ATOM 0 HE2 LYS A 155 -9.121 2.433 -6.046 1.00 9.65 H new ATOM 0 HE3 LYS A 155 -7.766 3.341 -5.404 1.00 9.65 H new ATOM 0 HZ1 LYS A 155 -9.532 3.613 -3.896 1.00 9.73 H new ATOM 0 HZ2 LYS A 155 -9.440 5.084 -4.740 1.00 9.73 H new ATOM 0 HZ3 LYS A 155 -10.655 3.961 -5.121 1.00 9.73 H new ATOM 1639 N ASN A 156 -9.398 -0.180 -9.683 1.00 11.74 N ATOM 1640 CA ASN A 156 -9.896 -1.404 -10.282 1.00 12.86 C ATOM 1641 C ASN A 156 -11.142 -1.900 -9.555 1.00 13.52 C ATOM 1642 O ASN A 156 -11.055 -2.470 -8.468 1.00 13.66 O ATOM 1643 CB ASN A 156 -8.805 -2.468 -10.239 1.00 13.35 C ATOM 1644 CG ASN A 156 -7.599 -2.095 -11.079 1.00 14.26 C ATOM 1645 OD1 ASN A 156 -7.535 -2.406 -12.269 1.00 14.73 O ATOM 1646 ND2 ASN A 156 -6.633 -1.425 -10.461 1.00 14.65 N ATOM 0 H ASN A 156 -8.445 -0.246 -9.325 1.00 11.74 H new ATOM 0 HA ASN A 156 -10.169 -1.202 -11.318 1.00 12.86 H new ATOM 0 HB2 ASN A 156 -8.492 -2.621 -9.206 1.00 13.35 H new ATOM 0 HB3 ASN A 156 -9.211 -3.416 -10.593 1.00 13.35 H new ATOM 0 HD21 ASN A 156 -5.796 -1.147 -10.974 1.00 14.65 H new ATOM 0 HD22 ASN A 156 -6.728 -1.188 -9.473 1.00 14.65 H new ATOM 1653 N SER A 157 -12.303 -1.679 -10.165 1.00 14.09 N ATOM 1654 CA SER A 157 -13.568 -2.103 -9.577 1.00 14.90 C ATOM 1655 C SER A 157 -14.067 -3.388 -10.230 1.00 15.71 C ATOM 1656 O SER A 157 -13.804 -3.640 -11.406 1.00 15.75 O ATOM 1657 CB SER A 157 -14.617 -1.001 -9.727 1.00 15.13 C ATOM 1658 OG SER A 157 -14.206 0.188 -9.074 1.00 15.56 O ATOM 0 H SER A 157 -12.393 -1.209 -11.066 1.00 14.09 H new ATOM 0 HA SER A 157 -13.402 -2.296 -8.517 1.00 14.90 H new ATOM 0 HB2 SER A 157 -14.787 -0.798 -10.784 1.00 15.13 H new ATOM 0 HB3 SER A 157 -15.566 -1.339 -9.310 1.00 15.13 H new ATOM 0 HG SER A 157 -13.349 0.485 -9.444 1.00 15.56 H new ATOM 1664 N TYR A 158 -14.788 -4.196 -9.459 1.00 16.49 N ATOM 1665 CA TYR A 158 -15.325 -5.455 -9.963 1.00 17.41 C ATOM 1666 C TYR A 158 -14.204 -6.368 -10.450 1.00 17.54 C ATOM 1667 O TYR A 158 -13.804 -6.312 -11.612 1.00 17.45 O ATOM 1668 CB TYR A 158 -16.317 -5.192 -11.099 1.00 18.11 C ATOM 1669 CG TYR A 158 -17.487 -4.329 -10.690 1.00 18.42 C ATOM 1670 CD1 TYR A 158 -17.327 -2.966 -10.488 1.00 18.34 C ATOM 1671 CD2 TYR A 158 -18.751 -4.875 -10.508 1.00 18.94 C ATOM 1672 CE1 TYR A 158 -18.392 -2.168 -10.117 1.00 18.78 C ATOM 1673 CE2 TYR A 158 -19.822 -4.085 -10.137 1.00 19.37 C ATOM 1674 CZ TYR A 158 -19.643 -2.746 -9.931 1.00 19.29 C ATOM 1675 OH TYR A 158 -20.701 -1.943 -9.573 1.00 19.84 O ATOM 0 H TYR A 158 -15.014 -4.001 -8.483 1.00 16.49 H new ATOM 0 HA TYR A 158 -15.845 -5.954 -9.145 1.00 17.41 H new ATOM 0 HB2 TYR A 158 -15.792 -4.711 -11.925 1.00 18.11 H new ATOM 0 HB3 TYR A 158 -16.692 -6.145 -11.471 1.00 18.11 H new ATOM 0 HD1 TYR A 158 -16.352 -2.521 -10.623 1.00 18.34 H new ATOM 0 HD2 TYR A 158 -18.899 -5.934 -10.659 1.00 18.94 H new ATOM 0 HE1 TYR A 158 -18.254 -1.107 -9.973 1.00 18.78 H new ATOM 0 HE2 TYR A 158 -20.800 -4.525 -10.010 1.00 19.37 H new ATOM 0 HH TYR A 158 -21.510 -2.489 -9.481 1.00 19.84 H new ATOM 1685 N SER A 159 -13.704 -7.210 -9.552 1.00 17.90 N ATOM 1686 CA SER A 159 -12.628 -8.134 -9.887 1.00 18.20 C ATOM 1687 C SER A 159 -13.177 -9.406 -10.525 1.00 18.97 C ATOM 1688 O SER A 159 -14.366 -9.495 -10.833 1.00 19.04 O ATOM 1689 CB SER A 159 -11.822 -8.488 -8.636 1.00 18.43 C ATOM 1690 OG SER A 159 -11.364 -7.321 -7.976 1.00 17.86 O ATOM 0 H SER A 159 -14.027 -7.271 -8.586 1.00 17.90 H new ATOM 0 HA SER A 159 -11.975 -7.641 -10.607 1.00 18.20 H new ATOM 0 HB2 SER A 159 -12.439 -9.075 -7.956 1.00 18.43 H new ATOM 0 HB3 SER A 159 -10.971 -9.111 -8.912 1.00 18.43 H new ATOM 0 HG SER A 159 -10.853 -7.575 -7.179 1.00 17.86 H new ATOM 1696 N VAL A 160 -12.301 -10.385 -10.721 1.00 19.64 N ATOM 1697 CA VAL A 160 -12.690 -11.657 -11.321 1.00 20.50 C ATOM 1698 C VAL A 160 -13.903 -12.256 -10.619 1.00 21.04 C ATOM 1699 O VAL A 160 -14.418 -11.694 -9.652 1.00 20.80 O ATOM 1700 CB VAL A 160 -11.535 -12.673 -11.275 1.00 21.13 C ATOM 1701 CG1 VAL A 160 -10.353 -12.177 -12.093 1.00 20.79 C ATOM 1702 CG2 VAL A 160 -11.124 -12.941 -9.837 1.00 21.37 C ATOM 0 H VAL A 160 -11.314 -10.322 -10.472 1.00 19.64 H new ATOM 0 HA VAL A 160 -12.945 -11.448 -12.360 1.00 20.50 H new ATOM 0 HB VAL A 160 -11.879 -13.610 -11.713 1.00 21.13 H new ATOM 0 HG11 VAL A 160 -9.547 -12.909 -12.048 1.00 20.79 H new ATOM 0 HG12 VAL A 160 -10.660 -12.039 -13.130 1.00 20.79 H new ATOM 0 HG13 VAL A 160 -10.004 -11.227 -11.688 1.00 20.79 H new ATOM 0 HG21 VAL A 160 -10.306 -13.661 -9.821 1.00 21.37 H new ATOM 0 HG22 VAL A 160 -10.797 -12.011 -9.373 1.00 21.37 H new ATOM 0 HG23 VAL A 160 -11.973 -13.343 -9.285 1.00 21.37 H new ATOM 1712 N VAL A 161 -14.351 -13.404 -11.117 1.00 21.88 N ATOM 1713 CA VAL A 161 -15.503 -14.091 -10.545 1.00 22.57 C ATOM 1714 C VAL A 161 -15.239 -15.587 -10.408 1.00 23.48 C ATOM 1715 O VAL A 161 -14.948 -16.268 -11.391 1.00 23.97 O ATOM 1716 CB VAL A 161 -16.764 -13.882 -11.403 1.00 22.88 C ATOM 1717 CG1 VAL A 161 -17.960 -14.588 -10.780 1.00 23.67 C ATOM 1718 CG2 VAL A 161 -17.046 -12.398 -11.582 1.00 22.09 C ATOM 0 H VAL A 161 -13.933 -13.879 -11.917 1.00 21.88 H new ATOM 0 HA VAL A 161 -15.668 -13.661 -9.557 1.00 22.57 H new ATOM 0 HB VAL A 161 -16.588 -14.318 -12.387 1.00 22.88 H new ATOM 0 HG11 VAL A 161 -18.841 -14.428 -11.401 1.00 23.67 H new ATOM 0 HG12 VAL A 161 -17.755 -15.656 -10.709 1.00 23.67 H new ATOM 0 HG13 VAL A 161 -18.141 -14.186 -9.783 1.00 23.67 H new ATOM 0 HG21 VAL A 161 -17.941 -12.269 -12.191 1.00 22.09 H new ATOM 0 HG22 VAL A 161 -17.201 -11.937 -10.607 1.00 22.09 H new ATOM 0 HG23 VAL A 161 -16.199 -11.924 -12.077 1.00 22.09 H new ATOM 1728 N GLU A 162 -15.344 -16.093 -9.184 1.00 23.77 N ATOM 1729 CA GLU A 162 -15.112 -17.506 -8.918 1.00 24.70 C ATOM 1730 C GLU A 162 -16.289 -18.354 -9.393 1.00 25.59 C ATOM 1731 O GLU A 162 -17.433 -17.902 -9.400 1.00 25.65 O ATOM 1732 CB GLU A 162 -14.882 -17.728 -7.425 1.00 24.78 C ATOM 1733 CG GLU A 162 -13.825 -16.811 -6.832 1.00 24.44 C ATOM 1734 CD GLU A 162 -13.636 -17.025 -5.343 1.00 24.41 C ATOM 1735 OE1 GLU A 162 -12.838 -17.911 -4.968 1.00 24.55 O ATOM 1736 OE2 GLU A 162 -14.286 -16.309 -4.553 1.00 24.32 O ATOM 0 H GLU A 162 -15.589 -15.544 -8.360 1.00 23.77 H new ATOM 0 HA GLU A 162 -14.223 -17.813 -9.470 1.00 24.70 H new ATOM 0 HB2 GLU A 162 -15.822 -17.577 -6.894 1.00 24.78 H new ATOM 0 HB3 GLU A 162 -14.586 -18.764 -7.261 1.00 24.78 H new ATOM 0 HG2 GLU A 162 -12.877 -16.978 -7.343 1.00 24.44 H new ATOM 0 HG3 GLU A 162 -14.106 -15.774 -7.013 1.00 24.44 H new ATOM 1743 N ASP A 163 -15.994 -19.587 -9.787 1.00 26.37 N ATOM 1744 CA ASP A 163 -17.013 -20.508 -10.268 1.00 27.32 C ATOM 1745 C ASP A 163 -17.642 -21.281 -9.114 1.00 27.97 C ATOM 1746 O ASP A 163 -16.971 -22.059 -8.436 1.00 28.44 O ATOM 1747 CB ASP A 163 -16.391 -21.480 -11.268 1.00 27.96 C ATOM 1748 CG ASP A 163 -17.417 -22.399 -11.900 1.00 28.99 C ATOM 1749 OD1 ASP A 163 -17.751 -23.431 -11.281 1.00 29.52 O ATOM 1750 OD2 ASP A 163 -17.885 -22.088 -13.015 1.00 29.32 O ATOM 0 H ASP A 163 -15.050 -19.973 -9.782 1.00 26.37 H new ATOM 0 HA ASP A 163 -17.798 -19.931 -10.757 1.00 27.32 H new ATOM 0 HB2 ASP A 163 -15.883 -20.916 -12.050 1.00 27.96 H new ATOM 0 HB3 ASP A 163 -15.633 -22.079 -10.764 1.00 27.96 H new ATOM 1755 N ALA A 164 -18.935 -21.063 -8.898 1.00 28.09 N ATOM 1756 CA ALA A 164 -19.655 -21.742 -7.828 1.00 28.78 C ATOM 1757 C ALA A 164 -20.058 -23.151 -8.248 1.00 29.49 C ATOM 1758 O ALA A 164 -20.214 -23.435 -9.435 1.00 29.58 O ATOM 1759 CB ALA A 164 -20.883 -20.937 -7.430 1.00 28.53 C ATOM 0 H ALA A 164 -19.505 -20.422 -9.450 1.00 28.09 H new ATOM 0 HA ALA A 164 -18.991 -21.823 -6.968 1.00 28.78 H new ATOM 0 HB1 ALA A 164 -21.413 -21.454 -6.630 1.00 28.53 H new ATOM 0 HB2 ALA A 164 -20.575 -19.951 -7.083 1.00 28.53 H new ATOM 0 HB3 ALA A 164 -21.542 -20.829 -8.291 1.00 28.53 H new ATOM 1765 N ASP A 165 -20.226 -24.032 -7.267 1.00 30.05 N ATOM 1766 CA ASP A 165 -20.612 -25.412 -7.540 1.00 30.82 C ATOM 1767 C ASP A 165 -20.984 -26.142 -6.253 1.00 31.48 C ATOM 1768 O ASP A 165 -20.392 -25.907 -5.199 1.00 31.60 O ATOM 1769 CB ASP A 165 -19.475 -26.152 -8.246 1.00 30.87 C ATOM 1770 CG ASP A 165 -19.841 -27.584 -8.582 1.00 31.47 C ATOM 1771 OD1 ASP A 165 -19.702 -28.456 -7.698 1.00 31.90 O ATOM 1772 OD2 ASP A 165 -20.266 -27.834 -9.730 1.00 31.56 O ATOM 0 H ASP A 165 -20.101 -23.816 -6.278 1.00 30.05 H new ATOM 0 HA ASP A 165 -21.486 -25.393 -8.191 1.00 30.82 H new ATOM 0 HB2 ASP A 165 -19.213 -25.622 -9.162 1.00 30.87 H new ATOM 0 HB3 ASP A 165 -18.590 -26.145 -7.610 1.00 30.87 H new ATOM 1777 N GLY A 166 -21.970 -27.028 -6.348 1.00 31.98 N ATOM 1778 CA GLY A 166 -22.405 -27.783 -5.188 1.00 32.70 C ATOM 1779 C GLY A 166 -21.886 -29.208 -5.199 1.00 33.18 C ATOM 1780 O GLY A 166 -21.649 -29.781 -6.263 1.00 33.17 O ATOM 0 H GLY A 166 -22.476 -27.237 -7.209 1.00 31.98 H new ATOM 0 HA2 GLY A 166 -22.064 -27.282 -4.282 1.00 32.70 H new ATOM 0 HA3 GLY A 166 -23.494 -27.796 -5.154 1.00 32.70 H new ATOM 1784 N ASP A 167 -21.707 -29.782 -4.014 1.00 33.68 N ATOM 1785 CA ASP A 167 -21.213 -31.149 -3.894 1.00 34.25 C ATOM 1786 C ASP A 167 -22.082 -31.962 -2.941 1.00 34.71 C ATOM 1787 O ASP A 167 -22.434 -31.499 -1.856 1.00 34.92 O ATOM 1788 CB ASP A 167 -19.763 -31.148 -3.407 1.00 34.49 C ATOM 1789 CG ASP A 167 -19.207 -32.549 -3.247 1.00 35.03 C ATOM 1790 OD1 ASP A 167 -18.708 -33.108 -4.246 1.00 34.96 O ATOM 1791 OD2 ASP A 167 -19.270 -33.088 -2.121 1.00 35.57 O ATOM 0 H ASP A 167 -21.896 -29.322 -3.123 1.00 33.68 H new ATOM 0 HA ASP A 167 -21.258 -31.612 -4.880 1.00 34.25 H new ATOM 0 HB2 ASP A 167 -19.146 -30.593 -4.114 1.00 34.49 H new ATOM 0 HB3 ASP A 167 -19.703 -30.625 -2.453 1.00 34.49 H new ATOM 1796 N ASP A 168 -22.423 -33.179 -3.354 1.00 34.93 N ATOM 1797 CA ASP A 168 -23.251 -34.060 -2.539 1.00 35.44 C ATOM 1798 C ASP A 168 -22.459 -34.614 -1.358 1.00 35.82 C ATOM 1799 O ASP A 168 -21.229 -34.573 -1.350 1.00 35.80 O ATOM 1800 CB ASP A 168 -23.795 -35.212 -3.388 1.00 35.50 C ATOM 1801 CG ASP A 168 -24.640 -34.725 -4.550 1.00 35.46 C ATOM 1802 OD1 ASP A 168 -25.818 -34.377 -4.322 1.00 35.19 O ATOM 1803 OD2 ASP A 168 -24.123 -34.692 -5.686 1.00 35.77 O ATOM 0 H ASP A 168 -22.138 -33.577 -4.249 1.00 34.93 H new ATOM 0 HA ASP A 168 -24.086 -33.476 -2.151 1.00 35.44 H new ATOM 0 HB2 ASP A 168 -22.962 -35.803 -3.770 1.00 35.50 H new ATOM 0 HB3 ASP A 168 -24.392 -35.872 -2.759 1.00 35.50 H new ATOM 1808 N ASP A 169 -23.172 -35.135 -0.364 1.00 36.23 N ATOM 1809 CA ASP A 169 -22.537 -35.693 0.825 1.00 36.69 C ATOM 1810 C ASP A 169 -21.402 -36.642 0.449 1.00 37.12 C ATOM 1811 O ASP A 169 -20.235 -36.375 0.738 1.00 37.27 O ATOM 1812 CB ASP A 169 -23.566 -36.429 1.683 1.00 36.89 C ATOM 1813 CG ASP A 169 -24.676 -35.516 2.165 1.00 37.03 C ATOM 1814 OD1 ASP A 169 -25.659 -35.329 1.416 1.00 37.38 O ATOM 1815 OD2 ASP A 169 -24.565 -34.988 3.290 1.00 36.85 O ATOM 0 H ASP A 169 -24.191 -35.182 -0.359 1.00 36.23 H new ATOM 0 HA ASP A 169 -22.118 -34.866 1.399 1.00 36.69 H new ATOM 0 HB2 ASP A 169 -23.997 -37.247 1.106 1.00 36.89 H new ATOM 0 HB3 ASP A 169 -23.066 -36.874 2.543 1.00 36.89 H new ATOM 1820 N GLU A 170 -21.753 -37.750 -0.197 1.00 37.38 N ATOM 1821 CA GLU A 170 -20.765 -38.739 -0.611 1.00 37.87 C ATOM 1822 C GLU A 170 -21.114 -39.324 -1.972 1.00 38.39 C ATOM 1823 O GLU A 170 -20.597 -38.887 -3.001 1.00 38.52 O ATOM 1824 CB GLU A 170 -20.660 -39.849 0.437 1.00 37.82 C ATOM 1825 CG GLU A 170 -20.074 -39.384 1.760 1.00 37.43 C ATOM 1826 CD GLU A 170 -20.019 -40.489 2.796 1.00 37.35 C ATOM 1827 OE1 GLU A 170 -21.039 -40.710 3.483 1.00 37.70 O ATOM 1828 OE2 GLU A 170 -18.956 -41.134 2.921 1.00 36.99 O ATOM 0 H GLU A 170 -22.714 -37.985 -0.445 1.00 37.38 H new ATOM 0 HA GLU A 170 -19.799 -38.242 -0.697 1.00 37.87 H new ATOM 0 HB2 GLU A 170 -21.652 -40.264 0.615 1.00 37.82 H new ATOM 0 HB3 GLU A 170 -20.043 -40.655 0.040 1.00 37.82 H new ATOM 0 HG2 GLU A 170 -19.068 -38.999 1.592 1.00 37.43 H new ATOM 0 HG3 GLU A 170 -20.671 -38.558 2.147 1.00 37.43 H new ATOM 1835 N ASP A 171 -21.993 -40.311 -1.971 1.00 38.73 N ATOM 1836 CA ASP A 171 -22.421 -40.963 -3.203 1.00 39.31 C ATOM 1837 C ASP A 171 -21.244 -41.614 -3.919 1.00 39.76 C ATOM 1838 O ASP A 171 -21.273 -41.806 -5.136 1.00 40.21 O ATOM 1839 CB ASP A 171 -23.096 -39.952 -4.131 1.00 39.30 C ATOM 1840 CG ASP A 171 -24.361 -39.371 -3.533 1.00 39.42 C ATOM 1841 OD1 ASP A 171 -25.416 -40.034 -3.617 1.00 39.59 O ATOM 1842 OD2 ASP A 171 -24.297 -38.254 -2.978 1.00 39.40 O ATOM 0 H ASP A 171 -22.428 -40.682 -1.127 1.00 38.73 H new ATOM 0 HA ASP A 171 -23.136 -41.742 -2.938 1.00 39.31 H new ATOM 0 HB2 ASP A 171 -22.398 -39.144 -4.352 1.00 39.30 H new ATOM 0 HB3 ASP A 171 -23.334 -40.436 -5.078 1.00 39.30 H new ATOM 1847 N TYR A 172 -20.207 -41.953 -3.160 1.00 39.70 N ATOM 1848 CA TYR A 172 -19.024 -42.587 -3.729 1.00 40.17 C ATOM 1849 C TYR A 172 -19.370 -43.980 -4.251 1.00 40.95 C ATOM 1850 O TYR A 172 -20.531 -44.273 -4.533 1.00 41.25 O ATOM 1851 CB TYR A 172 -17.912 -42.676 -2.680 1.00 40.02 C ATOM 1852 CG TYR A 172 -16.523 -42.502 -3.252 1.00 40.34 C ATOM 1853 CD1 TYR A 172 -16.183 -41.365 -3.975 1.00 40.32 C ATOM 1854 CD2 TYR A 172 -15.549 -43.476 -3.067 1.00 40.71 C ATOM 1855 CE1 TYR A 172 -14.913 -41.203 -4.497 1.00 40.68 C ATOM 1856 CE2 TYR A 172 -14.277 -43.322 -3.585 1.00 41.06 C ATOM 1857 CZ TYR A 172 -13.968 -42.181 -4.307 1.00 41.05 C ATOM 1858 OH TYR A 172 -12.699 -42.027 -4.815 1.00 41.46 O ATOM 0 H TYR A 172 -20.162 -41.800 -2.153 1.00 39.70 H new ATOM 0 HA TYR A 172 -18.670 -41.979 -4.562 1.00 40.17 H new ATOM 0 HB2 TYR A 172 -18.080 -41.914 -1.919 1.00 40.02 H new ATOM 0 HB3 TYR A 172 -17.972 -43.643 -2.181 1.00 40.02 H new ATOM 0 HD1 TYR A 172 -16.924 -40.595 -4.132 1.00 40.32 H new ATOM 0 HD2 TYR A 172 -15.790 -44.369 -2.509 1.00 40.71 H new ATOM 0 HE1 TYR A 172 -14.665 -40.310 -5.052 1.00 40.68 H new ATOM 0 HE2 TYR A 172 -13.530 -44.086 -3.428 1.00 41.06 H new ATOM 0 HH TYR A 172 -12.158 -42.812 -4.588 1.00 41.46 H new ATOM 1868 N LEU A 173 -18.361 -44.833 -4.375 1.00 41.34 N ATOM 1869 CA LEU A 173 -18.568 -46.190 -4.869 1.00 42.14 C ATOM 1870 C LEU A 173 -18.098 -47.223 -3.849 1.00 42.44 C ATOM 1871 O LEU A 173 -16.916 -47.565 -3.800 1.00 42.68 O ATOM 1872 CB LEU A 173 -17.823 -46.392 -6.190 1.00 42.57 C ATOM 1873 CG LEU A 173 -18.119 -45.351 -7.270 1.00 42.42 C ATOM 1874 CD1 LEU A 173 -17.337 -45.661 -8.537 1.00 42.94 C ATOM 1875 CD2 LEU A 173 -19.611 -45.292 -7.563 1.00 42.58 C ATOM 0 H LEU A 173 -17.393 -44.611 -4.141 1.00 41.34 H new ATOM 0 HA LEU A 173 -19.637 -46.328 -5.033 1.00 42.14 H new ATOM 0 HB2 LEU A 173 -16.752 -46.389 -5.989 1.00 42.57 H new ATOM 0 HB3 LEU A 173 -18.071 -47.379 -6.581 1.00 42.57 H new ATOM 0 HG LEU A 173 -17.804 -44.375 -6.901 1.00 42.42 H new ATOM 0 HD11 LEU A 173 -17.560 -44.910 -9.295 1.00 42.94 H new ATOM 0 HD12 LEU A 173 -16.269 -45.650 -8.318 1.00 42.94 H new ATOM 0 HD13 LEU A 173 -17.621 -46.646 -8.908 1.00 42.94 H new ATOM 0 HD21 LEU A 173 -19.801 -44.545 -8.334 1.00 42.58 H new ATOM 0 HD22 LEU A 173 -19.952 -46.267 -7.910 1.00 42.58 H new ATOM 0 HD23 LEU A 173 -20.150 -45.021 -6.655 1.00 42.58 H new ATOM 1887 N ARG A 174 -19.028 -47.718 -3.037 1.00 42.49 N ATOM 1888 CA ARG A 174 -18.700 -48.718 -2.026 1.00 42.83 C ATOM 1889 C ARG A 174 -18.479 -50.079 -2.674 1.00 43.41 C ATOM 1890 O ARG A 174 -19.409 -50.875 -2.804 1.00 43.61 O ATOM 1891 CB ARG A 174 -19.811 -48.814 -0.980 1.00 42.85 C ATOM 1892 CG ARG A 174 -20.008 -47.539 -0.177 1.00 42.28 C ATOM 1893 CD ARG A 174 -21.113 -47.697 0.857 1.00 42.41 C ATOM 1894 NE ARG A 174 -21.327 -46.470 1.621 1.00 42.29 N ATOM 1895 CZ ARG A 174 -20.628 -46.139 2.705 1.00 42.33 C ATOM 1896 NH1 ARG A 174 -19.663 -46.935 3.149 1.00 42.48 N ATOM 1897 NH2 ARG A 174 -20.891 -45.007 3.343 1.00 42.28 N ATOM 0 H ARG A 174 -20.010 -47.444 -3.059 1.00 42.49 H new ATOM 0 HA ARG A 174 -17.780 -48.409 -1.531 1.00 42.83 H new ATOM 0 HB2 ARG A 174 -20.747 -49.066 -1.479 1.00 42.85 H new ATOM 0 HB3 ARG A 174 -19.584 -49.632 -0.296 1.00 42.85 H new ATOM 0 HG2 ARG A 174 -19.076 -47.275 0.322 1.00 42.28 H new ATOM 0 HG3 ARG A 174 -20.253 -46.718 -0.850 1.00 42.28 H new ATOM 0 HD2 ARG A 174 -22.040 -47.979 0.357 1.00 42.41 H new ATOM 0 HD3 ARG A 174 -20.859 -48.509 1.538 1.00 42.41 H new ATOM 0 HE ARG A 174 -22.055 -45.829 1.305 1.00 42.29 H new ATOM 0 HH11 ARG A 174 -19.454 -47.805 2.659 1.00 42.48 H new ATOM 0 HH12 ARG A 174 -19.131 -46.677 3.980 1.00 42.48 H new ATOM 0 HH21 ARG A 174 -21.629 -44.390 3.004 1.00 42.28 H new ATOM 0 HH22 ARG A 174 -20.356 -44.753 4.173 1.00 42.28 H new ATOM 1911 N THR A 175 -17.243 -50.337 -3.076 1.00 43.73 N ATOM 1912 CA THR A 175 -16.895 -51.599 -3.716 1.00 44.34 C ATOM 1913 C THR A 175 -15.712 -52.260 -3.016 1.00 44.69 C ATOM 1914 O THR A 175 -14.659 -51.646 -2.842 1.00 44.76 O ATOM 1915 CB THR A 175 -16.553 -51.394 -5.203 1.00 44.62 C ATOM 1916 OG1 THR A 175 -17.669 -50.810 -5.886 1.00 44.61 O ATOM 1917 CG2 THR A 175 -16.184 -52.713 -5.864 1.00 44.90 C ATOM 0 H THR A 175 -16.463 -49.689 -2.970 1.00 43.73 H new ATOM 0 HA THR A 175 -17.767 -52.249 -3.638 1.00 44.34 H new ATOM 0 HB THR A 175 -15.696 -50.724 -5.265 1.00 44.62 H new ATOM 0 HG1 THR A 175 -17.443 -50.681 -6.831 1.00 44.61 H new ATOM 0 HG21 THR A 175 -15.947 -52.540 -6.914 1.00 44.90 H new ATOM 0 HG22 THR A 175 -15.317 -53.141 -5.362 1.00 44.90 H new ATOM 0 HG23 THR A 175 -17.024 -53.404 -5.791 1.00 44.90 H new ATOM 1925 N ASN A 176 -15.893 -53.513 -2.614 1.00 44.97 N ATOM 1926 CA ASN A 176 -14.841 -54.256 -1.931 1.00 45.37 C ATOM 1927 C ASN A 176 -14.719 -55.670 -2.489 1.00 45.88 C ATOM 1928 O ASN A 176 -15.629 -56.486 -2.342 1.00 46.06 O ATOM 1929 CB ASN A 176 -15.120 -54.310 -0.428 1.00 45.49 C ATOM 1930 CG ASN A 176 -14.090 -55.131 0.322 1.00 45.56 C ATOM 1931 OD1 ASN A 176 -14.250 -56.339 0.497 1.00 45.38 O ATOM 1932 ND2 ASN A 176 -13.024 -54.478 0.770 1.00 45.87 N ATOM 0 H ASN A 176 -16.759 -54.035 -2.749 1.00 44.97 H new ATOM 0 HA ASN A 176 -13.897 -53.737 -2.101 1.00 45.37 H new ATOM 0 HB2 ASN A 176 -15.134 -53.296 -0.027 1.00 45.49 H new ATOM 0 HB3 ASN A 176 -16.110 -54.733 -0.260 1.00 45.49 H new ATOM 0 HD21 ASN A 176 -12.297 -54.978 1.282 1.00 45.87 H new ATOM 0 HD22 ASN A 176 -12.932 -53.476 0.602 1.00 45.87 H new ATOM 1939 N ARG A 177 -13.591 -55.953 -3.132 1.00 46.18 N ATOM 1940 CA ARG A 177 -13.351 -57.269 -3.712 1.00 46.73 C ATOM 1941 C ARG A 177 -11.859 -57.582 -3.756 1.00 47.16 C ATOM 1942 O ARG A 177 -11.267 -57.684 -4.831 1.00 47.54 O ATOM 1943 CB ARG A 177 -13.939 -57.344 -5.122 1.00 46.78 C ATOM 1944 CG ARG A 177 -15.449 -57.186 -5.162 1.00 46.46 C ATOM 1945 CD ARG A 177 -15.983 -57.292 -6.582 1.00 46.63 C ATOM 1946 NE ARG A 177 -15.633 -58.567 -7.205 1.00 47.10 N ATOM 1947 CZ ARG A 177 -16.340 -59.683 -7.055 1.00 47.55 C ATOM 1948 NH1 ARG A 177 -17.422 -59.692 -6.288 1.00 47.58 N ATOM 1949 NH2 ARG A 177 -15.961 -60.795 -7.670 1.00 48.02 N ATOM 0 H ARG A 177 -12.829 -55.288 -3.265 1.00 46.18 H new ATOM 0 HA ARG A 177 -13.841 -58.010 -3.080 1.00 46.73 H new ATOM 0 HB2 ARG A 177 -13.485 -56.568 -5.737 1.00 46.78 H new ATOM 0 HB3 ARG A 177 -13.671 -58.302 -5.568 1.00 46.78 H new ATOM 0 HG2 ARG A 177 -15.913 -57.951 -4.540 1.00 46.46 H new ATOM 0 HG3 ARG A 177 -15.726 -56.220 -4.739 1.00 46.46 H new ATOM 0 HD2 ARG A 177 -17.067 -57.179 -6.571 1.00 46.63 H new ATOM 0 HD3 ARG A 177 -15.584 -56.474 -7.181 1.00 46.63 H new ATOM 0 HE ARG A 177 -14.797 -58.603 -7.789 1.00 47.10 H new ATOM 0 HH11 ARG A 177 -17.715 -58.840 -5.810 1.00 47.58 H new ATOM 0 HH12 ARG A 177 -17.961 -60.551 -6.176 1.00 47.58 H new ATOM 0 HH21 ARG A 177 -15.127 -60.794 -8.258 1.00 48.02 H new ATOM 0 HH22 ARG A 177 -16.503 -61.651 -7.555 1.00 48.02 H new ATOM 1963 N ILE A 178 -11.255 -57.734 -2.580 1.00 47.14 N ATOM 1964 CA ILE A 178 -9.832 -58.037 -2.486 1.00 47.59 C ATOM 1965 C ILE A 178 -9.590 -59.315 -1.690 1.00 47.95 C ATOM 1966 O ILE A 178 -9.266 -59.214 -0.489 1.00 48.11 O ATOM 1967 CB ILE A 178 -9.050 -56.879 -1.835 1.00 47.56 C ATOM 1968 CG1 ILE A 178 -9.767 -56.389 -0.575 1.00 47.56 C ATOM 1969 CG2 ILE A 178 -8.873 -55.739 -2.826 1.00 47.67 C ATOM 1970 CD1 ILE A 178 -8.985 -55.353 0.201 1.00 47.62 C ATOM 1971 OXT ILE A 178 -9.727 -60.410 -2.277 1.00 48.12 O ATOM 0 H ILE A 178 -11.729 -57.652 -1.681 1.00 47.14 H new ATOM 0 HA ILE A 178 -9.473 -58.177 -3.505 1.00 47.59 H new ATOM 0 HB ILE A 178 -8.064 -57.244 -1.548 1.00 47.56 H new ATOM 0 HG12 ILE A 178 -10.732 -55.968 -0.857 1.00 47.56 H new ATOM 0 HG13 ILE A 178 -9.968 -57.242 0.074 1.00 47.56 H new ATOM 0 HG21 ILE A 178 -8.319 -54.928 -2.353 1.00 47.67 H new ATOM 0 HG22 ILE A 178 -8.322 -56.096 -3.696 1.00 47.67 H new ATOM 0 HG23 ILE A 178 -9.851 -55.375 -3.140 1.00 47.67 H new ATOM 0 HD11 ILE A 178 -9.554 -55.052 1.081 1.00 47.62 H new ATOM 0 HD12 ILE A 178 -8.030 -55.776 0.513 1.00 47.62 H new ATOM 0 HD13 ILE A 178 -8.807 -54.483 -0.431 1.00 47.62 H new TER 1983 ILE A 178