USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 131 THR OG1 : rot 150:sc= 0 USER MOD Set 1.2: B 134 ASN : amide:sc= -1.8! C(o=-1.8!,f=-4.1!) USER MOD Set 2.1: B 114 TYR OH : rot -13:sc= 0.273! USER MOD Set 2.2: B 123 ASN : amide:sc= 0.12 K(o=0.39,f=-6!) USER MOD Set 3.1: B 111 SER OG : rot -32:sc= 1.18 USER MOD Set 3.2: B 115 GLN : amide:sc= -0.359 K(o=0.82,f=-0.99!) USER MOD Set 4.1: A 14 TYR OH : rot 120:sc= -2.07! USER MOD Set 4.2: A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.3: B 103 GLN : amide:sc= -0.17 K(o=-2.2,f=-3.1) USER MOD Set 5.1: A 11 SER OG : rot -110:sc= 0.0298! USER MOD Set 5.2: B 102 LYS NZ :NH3+ 157:sc= 0.142! (180deg=-0.0053) USER MOD Set 6.1: A 30 THR OG1 : rot -30:sc= 1.24 USER MOD Set 6.2: A 33 GLN : amide:sc= -1.03! C(o=0.22!,f=-5.9!) USER MOD Set 7.1: A 13 SER OG : rot 77:sc= 0.925 USER MOD Set 7.2: B 133 GLN : amide:sc= 0.581 K(o=1.5,f=-12!) USER MOD Single : A 2 LYS NZ :NH3+ 176:sc= -0.17 (180deg=-0.202) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 6 THR OG1 : rot -120:sc= -3.36! USER MOD Single : A 8 THR OG1 : rot 48:sc= 0.173 USER MOD Single : A 15 GLN : amide:sc= -3.4! C(o=-3.4!,f=-8.8!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -94:sc= 0.543 USER MOD Single : A 31 THR OG1 : rot 177:sc= -1.09 USER MOD Single : A 32 MET CE :methyl 141:sc= -14.4! (180deg=-18.1!) USER MOD Single : A 34 ASN : amide:sc= -0.841 K(o=-0.84,f=-0.28) USER MOD Single : B 106 THR OG1 : rot -100:sc= -2.41 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0.0588 USER MOD Single : B 113 SER OG : rot 110:sc= -2.47! USER MOD Single : B 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 120 TYR OH : rot -89:sc= -0.899 USER MOD Single : B 125 SER OG : rot 180:sc= -0.0809 USER MOD Single : B 129 SER OG : rot 121:sc= -1.32! USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 MET CE :methyl 173:sc= -15.6! (180deg=-16.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -12.328 -12.881 -19.371 1.00 0.00 N ATOM 21 CA LYS A 2 -12.481 -12.653 -17.934 1.00 0.00 C ATOM 22 C LYS A 2 -11.306 -13.211 -17.154 1.00 0.00 C ATOM 23 O LYS A 2 -11.074 -14.420 -17.114 1.00 0.00 O ATOM 24 CB LYS A 2 -13.785 -13.230 -17.382 1.00 0.00 C ATOM 25 CG LYS A 2 -15.026 -12.777 -18.144 1.00 0.00 C ATOM 26 CD LYS A 2 -15.623 -11.480 -17.593 1.00 0.00 C ATOM 27 CE LYS A 2 -14.566 -10.502 -17.081 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.114 -9.555 -18.144 1.00 0.00 N ATOM 0 HA LYS A 2 -12.513 -11.571 -17.806 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.730 -14.318 -17.408 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.886 -12.941 -16.336 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.770 -12.636 -19.194 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.779 -13.564 -18.103 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -16.209 -10.996 -18.375 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.311 -11.720 -16.782 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.972 -9.937 -16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.709 -11.060 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.448 -8.868 -17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -13.642 -10.086 -18.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.937 -9.052 -18.533 1.00 0.00 H new ATOM 42 N GLN A 3 -10.581 -12.303 -16.527 1.00 0.00 N ATOM 43 CA GLN A 3 -9.434 -12.640 -15.724 1.00 0.00 C ATOM 44 C GLN A 3 -9.683 -12.226 -14.300 1.00 0.00 C ATOM 45 O GLN A 3 -9.704 -11.035 -13.976 1.00 0.00 O ATOM 46 CB GLN A 3 -8.171 -11.948 -16.260 1.00 0.00 C ATOM 47 CG GLN A 3 -6.967 -12.085 -15.341 1.00 0.00 C ATOM 48 CD GLN A 3 -6.279 -13.428 -15.456 1.00 0.00 C ATOM 49 OE1 GLN A 3 -5.816 -13.811 -16.525 1.00 0.00 O ATOM 50 NE2 GLN A 3 -6.200 -14.148 -14.349 1.00 0.00 N ATOM 0 H GLN A 3 -10.779 -11.303 -16.565 1.00 0.00 H new ATOM 0 HA GLN A 3 -9.277 -13.718 -15.770 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.923 -12.367 -17.235 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -8.383 -10.890 -16.412 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -6.251 -11.296 -15.571 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -7.286 -11.935 -14.310 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.598 -13.793 -13.480 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.741 -15.059 -14.365 1.00 0.00 H new ATOM 59 N ARG A 4 -9.872 -13.206 -13.444 1.00 0.00 N ATOM 60 CA ARG A 4 -10.111 -12.910 -12.070 1.00 0.00 C ATOM 61 C ARG A 4 -8.804 -12.593 -11.379 1.00 0.00 C ATOM 62 O ARG A 4 -7.948 -13.463 -11.200 1.00 0.00 O ATOM 63 CB ARG A 4 -10.779 -14.063 -11.378 1.00 0.00 C ATOM 64 CG ARG A 4 -11.475 -13.656 -10.106 1.00 0.00 C ATOM 65 CD ARG A 4 -11.838 -14.887 -9.319 1.00 0.00 C ATOM 66 NE ARG A 4 -10.635 -15.586 -8.852 1.00 0.00 N ATOM 67 CZ ARG A 4 -10.035 -16.573 -9.515 1.00 0.00 C ATOM 68 NH1 ARG A 4 -10.512 -16.992 -10.671 1.00 0.00 N ATOM 69 NH2 ARG A 4 -8.946 -17.128 -9.029 1.00 0.00 N ATOM 0 H ARG A 4 -9.863 -14.198 -13.681 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.773 -12.046 -12.018 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.504 -14.516 -12.054 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -10.034 -14.826 -11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -10.826 -13.011 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.372 -13.081 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.456 -14.608 -8.465 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.435 -15.556 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 4 -10.232 -15.297 -7.961 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -11.348 -16.559 -11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.045 -17.749 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.560 -16.803 -8.143 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.488 -17.884 -9.538 1.00 0.00 H new ATOM 83 N ILE A 5 -8.656 -11.349 -10.999 1.00 0.00 N ATOM 84 CA ILE A 5 -7.458 -10.896 -10.327 1.00 0.00 C ATOM 85 C ILE A 5 -7.748 -10.770 -8.848 1.00 0.00 C ATOM 86 O ILE A 5 -8.743 -10.157 -8.463 1.00 0.00 O ATOM 87 CB ILE A 5 -7.005 -9.549 -10.913 1.00 0.00 C ATOM 88 CG1 ILE A 5 -7.757 -8.404 -10.244 1.00 0.00 C ATOM 89 CG2 ILE A 5 -7.260 -9.554 -12.414 1.00 0.00 C ATOM 90 CD1 ILE A 5 -7.318 -7.030 -10.691 1.00 0.00 C ATOM 0 H ILE A 5 -9.357 -10.623 -11.144 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.652 -11.615 -10.474 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.940 -9.406 -10.728 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.822 -8.516 -10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.628 -8.481 -9.164 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.942 -8.602 -12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.697 -10.365 -12.876 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.324 -9.698 -12.602 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -7.902 -6.273 -10.168 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.261 -6.894 -10.463 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.474 -6.930 -11.765 1.00 0.00 H new ATOM 102 N THR A 6 -6.930 -11.380 -8.010 1.00 0.00 N ATOM 103 CA THR A 6 -7.198 -11.326 -6.583 1.00 0.00 C ATOM 104 C THR A 6 -5.974 -10.945 -5.744 1.00 0.00 C ATOM 105 O THR A 6 -4.952 -11.626 -5.782 1.00 0.00 O ATOM 106 CB THR A 6 -7.823 -12.660 -6.105 1.00 0.00 C ATOM 107 OG1 THR A 6 -7.202 -13.128 -4.931 1.00 0.00 O ATOM 108 CG2 THR A 6 -7.783 -13.805 -7.110 1.00 0.00 C ATOM 0 H THR A 6 -6.098 -11.904 -8.280 1.00 0.00 H new ATOM 0 HA THR A 6 -7.916 -10.521 -6.427 1.00 0.00 H new ATOM 0 HB THR A 6 -8.868 -12.393 -5.944 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.810 -14.011 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.246 -14.689 -6.673 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.327 -13.518 -8.010 1.00 0.00 H new ATOM 0 HG23 THR A 6 -6.747 -14.028 -7.367 1.00 0.00 H new ATOM 116 N VAL A 7 -6.120 -9.883 -4.926 1.00 0.00 N ATOM 117 CA VAL A 7 -5.053 -9.455 -4.002 1.00 0.00 C ATOM 118 C VAL A 7 -5.363 -9.984 -2.607 1.00 0.00 C ATOM 119 O VAL A 7 -6.250 -9.460 -1.925 1.00 0.00 O ATOM 120 CB VAL A 7 -4.848 -7.893 -3.912 1.00 0.00 C ATOM 121 CG1 VAL A 7 -6.092 -7.126 -4.330 1.00 0.00 C ATOM 122 CG2 VAL A 7 -4.422 -7.440 -2.495 1.00 0.00 C ATOM 0 H VAL A 7 -6.962 -9.309 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.127 -9.865 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 7 -4.043 -7.663 -4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.903 -6.055 -4.252 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.344 -7.375 -5.361 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.922 -7.396 -3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.293 -6.358 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.191 -7.722 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.481 -7.921 -2.227 1.00 0.00 H new ATOM 132 N THR A 8 -4.641 -11.011 -2.170 1.00 0.00 N ATOM 133 CA THR A 8 -4.854 -11.557 -0.842 1.00 0.00 C ATOM 134 C THR A 8 -4.350 -10.535 0.171 1.00 0.00 C ATOM 135 O THR A 8 -3.170 -10.522 0.528 1.00 0.00 O ATOM 136 CB THR A 8 -4.137 -12.896 -0.690 1.00 0.00 C ATOM 137 OG1 THR A 8 -2.817 -12.827 -1.192 1.00 0.00 O ATOM 138 CG2 THR A 8 -4.836 -14.031 -1.398 1.00 0.00 C ATOM 0 H THR A 8 -3.912 -11.475 -2.712 1.00 0.00 H new ATOM 0 HA THR A 8 -5.914 -11.746 -0.673 1.00 0.00 H new ATOM 0 HB THR A 8 -4.138 -13.098 0.381 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.373 -12.030 -0.835 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.274 -14.953 -1.250 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.841 -14.149 -0.992 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.898 -13.812 -2.464 1.00 0.00 H new ATOM 146 N VAL A 9 -5.249 -9.645 0.578 1.00 0.00 N ATOM 147 CA VAL A 9 -4.904 -8.567 1.495 1.00 0.00 C ATOM 148 C VAL A 9 -5.497 -8.770 2.910 1.00 0.00 C ATOM 149 O VAL A 9 -5.105 -9.725 3.578 1.00 0.00 O ATOM 150 CB VAL A 9 -5.267 -7.197 0.856 1.00 0.00 C ATOM 151 CG1 VAL A 9 -6.708 -7.173 0.385 1.00 0.00 C ATOM 152 CG2 VAL A 9 -4.960 -6.022 1.778 1.00 0.00 C ATOM 0 H VAL A 9 -6.226 -9.650 0.285 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.826 -8.580 1.654 1.00 0.00 H new ATOM 0 HB VAL A 9 -4.627 -7.079 -0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.930 -6.202 -0.057 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.860 -7.954 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.371 -7.346 1.233 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.232 -5.090 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.532 -6.124 2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.895 -6.011 2.011 1.00 0.00 H new ATOM 162 N ASP A 10 -6.346 -7.850 3.415 1.00 0.00 N ATOM 163 CA ASP A 10 -6.852 -7.935 4.803 1.00 0.00 C ATOM 164 C ASP A 10 -5.756 -7.459 5.767 1.00 0.00 C ATOM 165 O ASP A 10 -5.854 -7.575 6.990 1.00 0.00 O ATOM 166 CB ASP A 10 -7.259 -9.343 5.161 1.00 0.00 C ATOM 167 CG ASP A 10 -8.582 -9.407 5.903 1.00 0.00 C ATOM 168 OD1 ASP A 10 -9.513 -8.656 5.528 1.00 0.00 O ATOM 169 OD2 ASP A 10 -8.688 -10.211 6.853 1.00 0.00 O ATOM 0 H ASP A 10 -6.693 -7.048 2.889 1.00 0.00 H new ATOM 0 HA ASP A 10 -7.734 -7.300 4.885 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.330 -9.937 4.250 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.481 -9.795 5.777 1.00 0.00 H new ATOM 174 N SER A 11 -4.734 -6.896 5.155 1.00 0.00 N ATOM 175 CA SER A 11 -3.583 -6.337 5.838 1.00 0.00 C ATOM 176 C SER A 11 -3.340 -4.918 5.346 1.00 0.00 C ATOM 177 O SER A 11 -3.461 -3.964 6.113 1.00 0.00 O ATOM 178 CB SER A 11 -2.335 -7.196 5.602 1.00 0.00 C ATOM 179 OG SER A 11 -2.112 -8.109 6.677 1.00 0.00 O ATOM 0 H SER A 11 -4.679 -6.812 4.140 1.00 0.00 H new ATOM 0 HA SER A 11 -3.786 -6.322 6.909 1.00 0.00 H new ATOM 0 HB2 SER A 11 -2.446 -7.751 4.670 1.00 0.00 H new ATOM 0 HB3 SER A 11 -1.465 -6.550 5.487 1.00 0.00 H new ATOM 0 HG SER A 11 -1.317 -7.834 7.180 1.00 0.00 H new ATOM 185 N ASP A 12 -2.956 -4.789 4.070 1.00 0.00 N ATOM 186 CA ASP A 12 -2.651 -3.489 3.493 1.00 0.00 C ATOM 187 C ASP A 12 -3.755 -2.443 3.702 1.00 0.00 C ATOM 188 O ASP A 12 -3.610 -1.580 4.573 1.00 0.00 O ATOM 189 CB ASP A 12 -2.333 -3.645 2.021 1.00 0.00 C ATOM 190 CG ASP A 12 -1.016 -4.353 1.773 1.00 0.00 C ATOM 191 OD1 ASP A 12 -0.854 -5.498 2.251 1.00 0.00 O ATOM 192 OD2 ASP A 12 -0.152 -3.762 1.093 1.00 0.00 O ATOM 0 H ASP A 12 -2.851 -5.572 3.425 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.780 -3.107 4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.136 -4.202 1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.304 -2.660 1.555 1.00 0.00 H new ATOM 197 N SER A 13 -4.850 -2.467 2.910 1.00 0.00 N ATOM 198 CA SER A 13 -5.915 -1.459 3.060 1.00 0.00 C ATOM 199 C SER A 13 -7.029 -1.645 2.007 1.00 0.00 C ATOM 200 O SER A 13 -7.544 -0.675 1.445 1.00 0.00 O ATOM 201 CB SER A 13 -5.313 -0.071 2.904 1.00 0.00 C ATOM 202 OG SER A 13 -4.957 0.479 4.162 1.00 0.00 O ATOM 0 H SER A 13 -5.015 -3.157 2.178 1.00 0.00 H new ATOM 0 HA SER A 13 -6.358 -1.580 4.049 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.432 -0.124 2.265 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.028 0.584 2.407 1.00 0.00 H new ATOM 0 HG SER A 13 -4.121 0.073 4.472 1.00 0.00 H new ATOM 208 N TYR A 14 -7.386 -2.898 1.752 1.00 0.00 N ATOM 209 CA TYR A 14 -8.427 -3.251 0.772 1.00 0.00 C ATOM 210 C TYR A 14 -9.837 -3.143 1.357 1.00 0.00 C ATOM 211 O TYR A 14 -10.735 -2.572 0.733 1.00 0.00 O ATOM 212 CB TYR A 14 -8.183 -4.671 0.287 1.00 0.00 C ATOM 213 CG TYR A 14 -9.405 -5.556 0.328 1.00 0.00 C ATOM 214 CD1 TYR A 14 -10.336 -5.519 -0.692 1.00 0.00 C ATOM 215 CD2 TYR A 14 -9.614 -6.432 1.383 1.00 0.00 C ATOM 216 CE1 TYR A 14 -11.450 -6.338 -0.670 1.00 0.00 C ATOM 217 CE2 TYR A 14 -10.723 -7.250 1.420 1.00 0.00 C ATOM 218 CZ TYR A 14 -11.637 -7.204 0.393 1.00 0.00 C ATOM 219 OH TYR A 14 -12.733 -8.035 0.425 1.00 0.00 O ATOM 0 H TYR A 14 -6.967 -3.704 2.215 1.00 0.00 H new ATOM 0 HA TYR A 14 -8.366 -2.543 -0.055 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -7.808 -4.635 -0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -7.400 -5.122 0.897 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.192 -4.840 -1.519 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.896 -6.474 2.189 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -12.168 -6.302 -1.476 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -10.873 -7.923 2.251 1.00 0.00 H new ATOM 0 HH TYR A 14 -12.435 -8.968 0.450 1.00 0.00 H new ATOM 229 N GLN A 15 -10.034 -3.754 2.527 1.00 0.00 N ATOM 230 CA GLN A 15 -11.347 -3.803 3.173 1.00 0.00 C ATOM 231 C GLN A 15 -12.035 -2.443 3.260 1.00 0.00 C ATOM 232 O GLN A 15 -13.243 -2.372 3.083 1.00 0.00 O ATOM 233 CB GLN A 15 -11.231 -4.395 4.582 1.00 0.00 C ATOM 234 CG GLN A 15 -10.442 -5.695 4.647 1.00 0.00 C ATOM 235 CD GLN A 15 -8.974 -5.468 4.931 1.00 0.00 C ATOM 236 OE1 GLN A 15 -8.191 -5.188 4.021 1.00 0.00 O ATOM 237 NE2 GLN A 15 -8.587 -5.593 6.191 1.00 0.00 N ATOM 0 H GLN A 15 -9.295 -4.225 3.049 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.965 -4.440 2.540 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -10.757 -3.662 5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.233 -4.570 4.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -10.864 -6.334 5.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.548 -6.228 3.702 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.269 -5.826 6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.607 -5.456 6.440 1.00 0.00 H new ATOM 246 N LEU A 16 -11.293 -1.370 3.508 1.00 0.00 N ATOM 247 CA LEU A 16 -11.912 -0.043 3.598 1.00 0.00 C ATOM 248 C LEU A 16 -12.688 0.307 2.325 1.00 0.00 C ATOM 249 O LEU A 16 -13.873 0.630 2.382 1.00 0.00 O ATOM 250 CB LEU A 16 -10.862 1.037 3.862 1.00 0.00 C ATOM 251 CG LEU A 16 -10.949 1.702 5.236 1.00 0.00 C ATOM 252 CD1 LEU A 16 -9.638 2.385 5.585 1.00 0.00 C ATOM 253 CD2 LEU A 16 -12.096 2.699 5.267 1.00 0.00 C ATOM 0 H LEU A 16 -10.283 -1.385 3.648 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.611 -0.078 4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.872 0.595 3.751 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.954 1.807 3.096 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.139 0.930 5.982 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.721 2.852 6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.836 1.647 5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.415 3.147 4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.146 3.165 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.932 3.466 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.033 2.182 5.062 1.00 0.00 H new ATOM 265 N LEU A 17 -11.995 0.273 1.187 1.00 0.00 N ATOM 266 CA LEU A 17 -12.623 0.630 -0.093 1.00 0.00 C ATOM 267 C LEU A 17 -13.940 -0.106 -0.329 1.00 0.00 C ATOM 268 O LEU A 17 -14.947 0.492 -0.713 1.00 0.00 O ATOM 269 CB LEU A 17 -11.701 0.344 -1.256 1.00 0.00 C ATOM 270 CG LEU A 17 -11.492 1.518 -2.216 1.00 0.00 C ATOM 271 CD1 LEU A 17 -12.796 1.896 -2.886 1.00 0.00 C ATOM 272 CD2 LEU A 17 -10.912 2.712 -1.483 1.00 0.00 C ATOM 0 H LEU A 17 -11.013 0.007 1.120 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.827 1.699 -0.031 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.731 0.036 -0.865 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -12.100 -0.500 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.784 1.207 -2.984 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.627 2.732 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -13.177 1.043 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.524 2.185 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.771 3.535 -2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.596 3.021 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -9.952 2.439 -1.046 1.00 0.00 H new ATOM 284 N LYS A 18 -13.906 -1.407 -0.116 1.00 0.00 N ATOM 285 CA LYS A 18 -15.065 -2.268 -0.322 1.00 0.00 C ATOM 286 C LYS A 18 -16.039 -2.218 0.841 1.00 0.00 C ATOM 287 O LYS A 18 -17.255 -2.289 0.656 1.00 0.00 O ATOM 288 CB LYS A 18 -14.596 -3.697 -0.561 1.00 0.00 C ATOM 289 CG LYS A 18 -13.861 -4.270 0.630 1.00 0.00 C ATOM 290 CD LYS A 18 -14.338 -5.676 0.941 1.00 0.00 C ATOM 291 CE LYS A 18 -14.044 -6.070 2.378 1.00 0.00 C ATOM 292 NZ LYS A 18 -14.850 -7.251 2.803 1.00 0.00 N ATOM 0 H LYS A 18 -13.074 -1.902 0.206 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.602 -1.901 -1.197 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.457 -4.325 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.943 -3.721 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -12.790 -4.282 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.015 -3.630 1.499 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.410 -5.744 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -13.854 -6.381 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -12.983 -6.297 2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.257 -5.228 3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.622 -7.490 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.862 -7.026 2.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.628 -8.061 2.190 1.00 0.00 H new ATOM 306 N ALA A 19 -15.487 -2.092 2.033 1.00 0.00 N ATOM 307 CA ALA A 19 -16.289 -2.025 3.245 1.00 0.00 C ATOM 308 C ALA A 19 -17.036 -0.707 3.308 1.00 0.00 C ATOM 309 O ALA A 19 -18.061 -0.598 3.979 1.00 0.00 O ATOM 310 CB ALA A 19 -15.436 -2.216 4.492 1.00 0.00 C ATOM 0 H ALA A 19 -14.481 -2.034 2.191 1.00 0.00 H new ATOM 0 HA ALA A 19 -17.012 -2.840 3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.069 -2.160 5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.950 -3.191 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.678 -1.434 4.537 1.00 0.00 H new ATOM 316 N TYR A 20 -16.523 0.294 2.593 1.00 0.00 N ATOM 317 CA TYR A 20 -17.158 1.586 2.566 1.00 0.00 C ATOM 318 C TYR A 20 -18.207 1.625 1.458 1.00 0.00 C ATOM 319 O TYR A 20 -19.305 2.123 1.699 1.00 0.00 O ATOM 320 CB TYR A 20 -16.108 2.714 2.479 1.00 0.00 C ATOM 321 CG TYR A 20 -15.935 3.397 1.136 1.00 0.00 C ATOM 322 CD1 TYR A 20 -17.005 3.975 0.468 1.00 0.00 C ATOM 323 CD2 TYR A 20 -14.673 3.501 0.562 1.00 0.00 C ATOM 324 CE1 TYR A 20 -16.824 4.630 -0.735 1.00 0.00 C ATOM 325 CE2 TYR A 20 -14.485 4.148 -0.637 1.00 0.00 C ATOM 326 CZ TYR A 20 -15.563 4.711 -1.282 1.00 0.00 C ATOM 327 OH TYR A 20 -15.380 5.368 -2.472 1.00 0.00 O ATOM 0 H TYR A 20 -15.674 0.224 2.032 1.00 0.00 H new ATOM 0 HA TYR A 20 -17.690 1.759 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -16.368 3.475 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -15.144 2.301 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.995 3.912 0.895 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -13.824 3.065 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -17.666 5.076 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -13.498 4.214 -1.070 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.433 5.336 -2.721 1.00 0.00 H new ATOM 337 N ASP A 21 -17.911 1.058 0.263 1.00 0.00 N ATOM 338 CA ASP A 21 -18.929 1.029 -0.811 1.00 0.00 C ATOM 339 C ASP A 21 -18.393 0.618 -2.185 1.00 0.00 C ATOM 340 O ASP A 21 -19.167 0.477 -3.132 1.00 0.00 O ATOM 341 CB ASP A 21 -19.612 2.400 -0.949 1.00 0.00 C ATOM 342 CG ASP A 21 -21.079 2.372 -0.568 1.00 0.00 C ATOM 343 OD1 ASP A 21 -21.760 1.375 -0.883 1.00 0.00 O ATOM 344 OD2 ASP A 21 -21.548 3.355 0.038 1.00 0.00 O ATOM 0 H ASP A 21 -17.015 0.632 0.025 1.00 0.00 H new ATOM 0 HA ASP A 21 -19.638 0.262 -0.499 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -19.093 3.123 -0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -19.516 2.746 -1.978 1.00 0.00 H new ATOM 349 N VAL A 22 -17.087 0.471 -2.325 1.00 0.00 N ATOM 350 CA VAL A 22 -16.508 0.141 -3.610 1.00 0.00 C ATOM 351 C VAL A 22 -15.695 -1.145 -3.582 1.00 0.00 C ATOM 352 O VAL A 22 -14.476 -1.122 -3.386 1.00 0.00 O ATOM 353 CB VAL A 22 -15.632 1.317 -4.045 1.00 0.00 C ATOM 354 CG1 VAL A 22 -14.846 1.001 -5.307 1.00 0.00 C ATOM 355 CG2 VAL A 22 -16.485 2.557 -4.240 1.00 0.00 C ATOM 0 H VAL A 22 -16.412 0.575 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 22 -17.316 -0.032 -4.321 1.00 0.00 H new ATOM 0 HB VAL A 22 -14.907 1.504 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -14.237 1.862 -5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -14.200 0.142 -5.127 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -15.537 0.772 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -15.852 3.389 -4.550 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -17.235 2.366 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -16.982 2.808 -3.303 1.00 0.00 H new ATOM 365 N ASN A 23 -16.381 -2.275 -3.770 1.00 0.00 N ATOM 366 CA ASN A 23 -15.730 -3.590 -3.777 1.00 0.00 C ATOM 367 C ASN A 23 -14.760 -3.737 -4.958 1.00 0.00 C ATOM 368 O ASN A 23 -14.808 -4.723 -5.688 1.00 0.00 O ATOM 369 CB ASN A 23 -16.764 -4.709 -3.841 1.00 0.00 C ATOM 370 CG ASN A 23 -17.860 -4.447 -4.866 1.00 0.00 C ATOM 371 OD1 ASN A 23 -17.582 -4.095 -6.013 1.00 0.00 O ATOM 372 ND2 ASN A 23 -19.112 -4.607 -4.461 1.00 0.00 N ATOM 0 H ASN A 23 -17.389 -2.307 -3.920 1.00 0.00 H new ATOM 0 HA ASN A 23 -15.165 -3.667 -2.848 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -16.263 -5.646 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -17.216 -4.835 -2.857 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -19.883 -4.437 -5.107 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.305 -4.900 -3.503 1.00 0.00 H new ATOM 379 N ILE A 24 -13.915 -2.727 -5.130 1.00 0.00 N ATOM 380 CA ILE A 24 -12.910 -2.611 -6.167 1.00 0.00 C ATOM 381 C ILE A 24 -13.349 -2.900 -7.599 1.00 0.00 C ATOM 382 O ILE A 24 -12.598 -2.576 -8.516 1.00 0.00 O ATOM 383 CB ILE A 24 -11.653 -3.386 -5.861 1.00 0.00 C ATOM 384 CG1 ILE A 24 -11.848 -4.243 -4.645 1.00 0.00 C ATOM 385 CG2 ILE A 24 -10.468 -2.460 -5.712 1.00 0.00 C ATOM 386 CD1 ILE A 24 -12.456 -5.522 -5.065 1.00 0.00 C ATOM 0 H ILE A 24 -13.918 -1.919 -4.507 1.00 0.00 H new ATOM 0 HA ILE A 24 -12.708 -1.540 -6.140 1.00 0.00 H new ATOM 0 HB ILE A 24 -11.440 -4.047 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.893 -4.422 -4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.490 -3.737 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.575 -3.045 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -10.320 -1.907 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.653 -1.760 -4.897 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.605 -6.158 -4.192 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.417 -5.329 -5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.795 -6.024 -5.772 1.00 0.00 H new ATOM 398 N SER A 25 -14.507 -3.525 -7.809 1.00 0.00 N ATOM 399 CA SER A 25 -14.945 -3.852 -9.159 1.00 0.00 C ATOM 400 C SER A 25 -14.570 -2.706 -10.112 1.00 0.00 C ATOM 401 O SER A 25 -13.741 -2.874 -11.023 1.00 0.00 O ATOM 402 CB SER A 25 -16.458 -4.089 -9.169 1.00 0.00 C ATOM 403 OG SER A 25 -16.951 -4.253 -10.487 1.00 0.00 O ATOM 0 H SER A 25 -15.149 -3.811 -7.070 1.00 0.00 H new ATOM 0 HA SER A 25 -14.450 -4.763 -9.495 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.692 -4.975 -8.579 1.00 0.00 H new ATOM 0 HB3 SER A 25 -16.962 -3.248 -8.693 1.00 0.00 H new ATOM 0 HG SER A 25 -17.919 -4.404 -10.458 1.00 0.00 H new ATOM 409 N GLY A 26 -15.144 -1.529 -9.866 1.00 0.00 N ATOM 410 CA GLY A 26 -14.826 -0.366 -10.675 1.00 0.00 C ATOM 411 C GLY A 26 -13.555 0.329 -10.210 1.00 0.00 C ATOM 412 O GLY A 26 -12.872 0.967 -11.007 1.00 0.00 O ATOM 0 H GLY A 26 -15.822 -1.362 -9.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.712 -0.670 -11.716 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.657 0.338 -10.638 1.00 0.00 H new ATOM 416 N LEU A 27 -13.230 0.200 -8.915 1.00 0.00 N ATOM 417 CA LEU A 27 -12.039 0.818 -8.356 1.00 0.00 C ATOM 418 C LEU A 27 -10.788 0.302 -9.052 1.00 0.00 C ATOM 419 O LEU A 27 -10.084 1.069 -9.697 1.00 0.00 O ATOM 420 CB LEU A 27 -11.965 0.516 -6.863 1.00 0.00 C ATOM 421 CG LEU A 27 -11.232 1.529 -5.994 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.037 0.860 -5.350 1.00 0.00 C ATOM 423 CD2 LEU A 27 -10.807 2.737 -6.804 1.00 0.00 C ATOM 0 H LEU A 27 -13.783 -0.330 -8.241 1.00 0.00 H new ATOM 0 HA LEU A 27 -12.096 1.896 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -12.983 0.418 -6.485 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.483 -0.453 -6.736 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.907 1.884 -5.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.508 1.581 -4.727 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.375 0.027 -4.734 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.366 0.490 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.286 3.443 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.141 2.421 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -11.688 3.217 -7.231 1.00 0.00 H new ATOM 435 N VAL A 28 -10.528 -1.007 -8.948 1.00 0.00 N ATOM 436 CA VAL A 28 -9.369 -1.592 -9.610 1.00 0.00 C ATOM 437 C VAL A 28 -9.357 -1.189 -11.089 1.00 0.00 C ATOM 438 O VAL A 28 -8.504 -0.444 -11.527 1.00 0.00 O ATOM 439 CB VAL A 28 -9.370 -3.129 -9.470 1.00 0.00 C ATOM 440 CG1 VAL A 28 -8.472 -3.785 -10.509 1.00 0.00 C ATOM 441 CG2 VAL A 28 -8.936 -3.529 -8.072 1.00 0.00 C ATOM 0 H VAL A 28 -11.098 -1.667 -8.419 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.467 -1.213 -9.130 1.00 0.00 H new ATOM 0 HB VAL A 28 -10.388 -3.479 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -8.497 -4.867 -10.380 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.825 -3.530 -11.508 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -7.450 -3.428 -10.383 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.941 -4.616 -7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.930 -3.155 -7.882 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.625 -3.104 -7.342 1.00 0.00 H new ATOM 451 N SER A 29 -10.334 -1.666 -11.837 1.00 0.00 N ATOM 452 CA SER A 29 -10.459 -1.370 -13.261 1.00 0.00 C ATOM 453 C SER A 29 -10.294 0.127 -13.583 1.00 0.00 C ATOM 454 O SER A 29 -9.623 0.460 -14.556 1.00 0.00 O ATOM 455 CB SER A 29 -11.829 -1.842 -13.756 1.00 0.00 C ATOM 456 OG SER A 29 -12.865 -1.381 -12.897 1.00 0.00 O ATOM 0 H SER A 29 -11.070 -2.274 -11.477 1.00 0.00 H new ATOM 0 HA SER A 29 -9.653 -1.899 -13.770 1.00 0.00 H new ATOM 0 HB2 SER A 29 -12.000 -1.476 -14.768 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.848 -2.931 -13.803 1.00 0.00 H new ATOM 0 HG SER A 29 -13.068 -2.070 -12.230 1.00 0.00 H new ATOM 462 N THR A 30 -10.849 1.038 -12.781 1.00 0.00 N ATOM 463 CA THR A 30 -10.660 2.463 -13.068 1.00 0.00 C ATOM 464 C THR A 30 -9.273 2.889 -12.609 1.00 0.00 C ATOM 465 O THR A 30 -8.528 3.530 -13.357 1.00 0.00 O ATOM 466 CB THR A 30 -11.741 3.342 -12.426 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.146 4.366 -13.324 1.00 0.00 O ATOM 468 CG2 THR A 30 -11.310 4.022 -11.139 1.00 0.00 C ATOM 0 H THR A 30 -11.413 0.828 -11.957 1.00 0.00 H new ATOM 0 HA THR A 30 -10.752 2.603 -14.145 1.00 0.00 H new ATOM 0 HB THR A 30 -12.554 2.654 -12.192 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.397 4.603 -13.910 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.133 4.623 -10.752 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.035 3.267 -10.403 1.00 0.00 H new ATOM 0 HG23 THR A 30 -10.452 4.665 -11.337 1.00 0.00 H new ATOM 476 N THR A 31 -8.921 2.507 -11.381 1.00 0.00 N ATOM 477 CA THR A 31 -7.614 2.824 -10.837 1.00 0.00 C ATOM 478 C THR A 31 -6.552 2.348 -11.812 1.00 0.00 C ATOM 479 O THR A 31 -5.635 3.088 -12.159 1.00 0.00 O ATOM 480 CB THR A 31 -7.395 2.179 -9.463 1.00 0.00 C ATOM 481 OG1 THR A 31 -8.146 2.842 -8.467 1.00 0.00 O ATOM 482 CG2 THR A 31 -5.950 2.202 -9.017 1.00 0.00 C ATOM 0 H THR A 31 -9.525 1.979 -10.751 1.00 0.00 H new ATOM 0 HA THR A 31 -7.548 3.903 -10.700 1.00 0.00 H new ATOM 0 HB THR A 31 -7.716 1.144 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.029 2.383 -7.609 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.864 1.731 -8.038 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.338 1.658 -9.737 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.605 3.234 -8.954 1.00 0.00 H new ATOM 490 N MET A 32 -6.714 1.109 -12.271 1.00 0.00 N ATOM 491 CA MET A 32 -5.809 0.518 -13.233 1.00 0.00 C ATOM 492 C MET A 32 -5.711 1.411 -14.458 1.00 0.00 C ATOM 493 O MET A 32 -4.625 1.697 -14.906 1.00 0.00 O ATOM 494 CB MET A 32 -6.273 -0.887 -13.611 1.00 0.00 C ATOM 495 CG MET A 32 -6.357 -1.824 -12.419 1.00 0.00 C ATOM 496 SD MET A 32 -4.749 -2.335 -11.821 1.00 0.00 S ATOM 497 CE MET A 32 -5.098 -4.015 -11.349 1.00 0.00 C ATOM 0 H MET A 32 -7.476 0.495 -11.983 1.00 0.00 H new ATOM 0 HA MET A 32 -4.818 0.431 -12.787 1.00 0.00 H new ATOM 0 HB2 MET A 32 -7.252 -0.825 -14.087 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.586 -1.305 -14.347 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.899 -1.330 -11.612 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.933 -2.707 -12.697 1.00 0.00 H new ATOM 0 HE1 MET A 32 -4.253 -4.651 -11.615 1.00 0.00 H new ATOM 0 HE2 MET A 32 -5.264 -4.064 -10.273 1.00 0.00 H new ATOM 0 HE3 MET A 32 -5.991 -4.361 -11.870 1.00 0.00 H new ATOM 507 N GLN A 33 -6.853 1.872 -14.978 1.00 0.00 N ATOM 508 CA GLN A 33 -6.865 2.770 -16.142 1.00 0.00 C ATOM 509 C GLN A 33 -6.047 4.025 -15.852 1.00 0.00 C ATOM 510 O GLN A 33 -5.186 4.419 -16.645 1.00 0.00 O ATOM 511 CB GLN A 33 -8.320 3.130 -16.516 1.00 0.00 C ATOM 512 CG GLN A 33 -8.604 4.626 -16.688 1.00 0.00 C ATOM 513 CD GLN A 33 -9.870 5.090 -15.979 1.00 0.00 C ATOM 514 OE1 GLN A 33 -10.612 4.296 -15.396 1.00 0.00 O ATOM 515 NE2 GLN A 33 -10.126 6.389 -16.023 1.00 0.00 N ATOM 0 H GLN A 33 -7.778 1.641 -14.615 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.409 2.260 -16.990 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.575 2.620 -17.445 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.983 2.738 -15.745 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -7.755 5.195 -16.308 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.689 4.852 -17.751 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.491 7.018 -16.514 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.959 6.761 -15.566 1.00 0.00 H new ATOM 524 N ASN A 34 -6.310 4.642 -14.704 1.00 0.00 N ATOM 525 CA ASN A 34 -5.584 5.841 -14.307 1.00 0.00 C ATOM 526 C ASN A 34 -4.108 5.504 -14.113 1.00 0.00 C ATOM 527 O ASN A 34 -3.230 6.158 -14.684 1.00 0.00 O ATOM 528 CB ASN A 34 -6.210 6.447 -13.033 1.00 0.00 C ATOM 529 CG ASN A 34 -5.245 6.558 -11.869 1.00 0.00 C ATOM 530 OD1 ASN A 34 -4.458 7.495 -11.792 1.00 0.00 O ATOM 531 ND2 ASN A 34 -5.307 5.602 -10.957 1.00 0.00 N ATOM 0 H ASN A 34 -7.017 4.333 -14.036 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.657 6.593 -15.092 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.598 7.438 -13.267 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.060 5.835 -12.731 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.684 5.626 -10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.978 4.841 -11.061 1.00 0.00 H new ATOM 538 N GLU A 35 -3.849 4.457 -13.339 1.00 0.00 N ATOM 539 CA GLU A 35 -2.491 4.003 -13.101 1.00 0.00 C ATOM 540 C GLU A 35 -1.915 3.334 -14.350 1.00 0.00 C ATOM 541 O GLU A 35 -0.736 3.026 -14.394 1.00 0.00 O ATOM 542 CB GLU A 35 -2.436 3.057 -11.899 1.00 0.00 C ATOM 543 CG GLU A 35 -2.015 3.748 -10.610 1.00 0.00 C ATOM 544 CD GLU A 35 -0.758 4.579 -10.774 1.00 0.00 C ATOM 545 OE1 GLU A 35 -0.872 5.762 -11.159 1.00 0.00 O ATOM 546 OE2 GLU A 35 0.342 4.045 -10.526 1.00 0.00 O ATOM 0 H GLU A 35 -4.566 3.907 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.877 4.874 -12.872 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.417 2.604 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.739 2.247 -12.114 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.826 4.389 -10.265 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.851 2.997 -9.837 1.00 0.00 H new ATOM 553 N ALA A 36 -2.761 3.112 -15.358 1.00 0.00 N ATOM 554 CA ALA A 36 -2.344 2.505 -16.616 1.00 0.00 C ATOM 555 C ALA A 36 -1.869 3.572 -17.578 1.00 0.00 C ATOM 556 O ALA A 36 -0.844 3.407 -18.242 1.00 0.00 O ATOM 557 CB ALA A 36 -3.476 1.701 -17.234 1.00 0.00 C ATOM 0 H ALA A 36 -3.752 3.349 -15.322 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.519 1.823 -16.410 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.139 1.259 -18.171 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.777 0.910 -16.547 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.325 2.357 -17.427 1.00 0.00 H new ATOM 563 N ARG A 37 -2.623 4.670 -17.657 1.00 0.00 N ATOM 564 CA ARG A 37 -2.242 5.763 -18.541 1.00 0.00 C ATOM 565 C ARG A 37 -1.039 6.484 -17.982 1.00 0.00 C ATOM 566 O ARG A 37 -0.012 6.629 -18.642 1.00 0.00 O ATOM 567 CB ARG A 37 -3.349 6.793 -18.645 1.00 0.00 C ATOM 568 CG ARG A 37 -4.120 6.757 -19.955 1.00 0.00 C ATOM 569 CD ARG A 37 -5.564 7.194 -19.759 1.00 0.00 C ATOM 570 NE ARG A 37 -6.163 7.695 -21.000 1.00 0.00 N ATOM 571 CZ ARG A 37 -5.902 8.883 -21.535 1.00 0.00 C ATOM 572 NH1 ARG A 37 -5.031 9.700 -20.968 1.00 0.00 N ATOM 573 NH2 ARG A 37 -6.517 9.250 -22.643 1.00 0.00 N ATOM 0 H ARG A 37 -3.483 4.821 -17.130 1.00 0.00 H new ATOM 0 HA ARG A 37 -2.032 5.326 -19.517 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.048 6.642 -17.822 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.918 7.786 -18.519 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.636 7.409 -20.682 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.096 5.748 -20.366 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.150 6.353 -19.388 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.606 7.972 -18.997 1.00 0.00 H new ATOM 0 HE ARG A 37 -6.825 7.090 -21.486 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.552 9.421 -20.112 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -4.838 10.610 -21.387 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -7.189 8.623 -23.085 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.320 10.161 -23.058 1.00 0.00 H new ATOM 587 N ARG A 38 -1.206 6.968 -16.759 1.00 0.00 N ATOM 588 CA ARG A 38 -0.166 7.716 -16.098 1.00 0.00 C ATOM 589 C ARG A 38 0.861 6.825 -15.374 1.00 0.00 C ATOM 590 O ARG A 38 2.039 7.172 -15.307 1.00 0.00 O ATOM 591 CB ARG A 38 -0.773 8.727 -15.120 1.00 0.00 C ATOM 592 CG ARG A 38 -0.552 10.175 -15.539 1.00 0.00 C ATOM 593 CD ARG A 38 -1.757 11.042 -15.209 1.00 0.00 C ATOM 594 NE ARG A 38 -1.652 12.382 -15.801 1.00 0.00 N ATOM 595 CZ ARG A 38 -2.558 13.340 -15.638 1.00 0.00 C ATOM 596 NH1 ARG A 38 -3.632 13.119 -14.903 1.00 0.00 N ATOM 597 NH2 ARG A 38 -2.389 14.516 -16.211 1.00 0.00 N ATOM 0 H ARG A 38 -2.058 6.851 -16.210 1.00 0.00 H new ATOM 0 HA ARG A 38 0.378 8.243 -16.882 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.843 8.540 -15.032 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.340 8.571 -14.132 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.330 10.570 -15.035 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.354 10.219 -16.610 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.663 10.556 -15.571 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.854 11.131 -14.127 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.833 12.590 -16.372 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.768 12.211 -14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.326 13.856 -14.779 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -1.561 14.691 -16.781 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.086 15.250 -16.084 1.00 0.00 H new ATOM 1184 N LYS B 102 -4.691 -13.261 5.821 1.00 0.00 N ATOM 1185 CA LYS B 102 -4.850 -12.562 4.546 1.00 0.00 C ATOM 1186 C LYS B 102 -6.251 -12.790 3.977 1.00 0.00 C ATOM 1187 O LYS B 102 -6.814 -13.878 4.110 1.00 0.00 O ATOM 1188 CB LYS B 102 -3.793 -13.038 3.540 1.00 0.00 C ATOM 1189 CG LYS B 102 -2.897 -11.925 3.014 1.00 0.00 C ATOM 1190 CD LYS B 102 -1.783 -11.586 3.993 1.00 0.00 C ATOM 1191 CE LYS B 102 -2.265 -10.651 5.089 1.00 0.00 C ATOM 1192 NZ LYS B 102 -1.132 -10.085 5.876 1.00 0.00 N ATOM 0 HA LYS B 102 -4.715 -11.495 4.723 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -3.172 -13.798 4.013 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -4.295 -13.515 2.698 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -2.464 -12.227 2.061 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -3.497 -11.035 2.824 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -1.399 -12.503 4.440 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -0.955 -11.122 3.456 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -2.841 -9.838 4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -2.937 -11.190 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -1.432 -9.197 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -0.844 -10.765 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -0.329 -9.898 5.243 1.00 0.00 H new ATOM 1206 N GLN B 103 -6.799 -11.772 3.322 1.00 0.00 N ATOM 1207 CA GLN B 103 -8.121 -11.880 2.716 1.00 0.00 C ATOM 1208 C GLN B 103 -8.015 -11.788 1.212 1.00 0.00 C ATOM 1209 O GLN B 103 -7.511 -10.805 0.668 1.00 0.00 O ATOM 1210 CB GLN B 103 -9.077 -10.793 3.226 1.00 0.00 C ATOM 1211 CG GLN B 103 -10.394 -10.756 2.465 1.00 0.00 C ATOM 1212 CD GLN B 103 -11.585 -11.186 3.299 1.00 0.00 C ATOM 1213 OE1 GLN B 103 -11.448 -11.895 4.293 1.00 0.00 O ATOM 1214 NE2 GLN B 103 -12.771 -10.762 2.887 1.00 0.00 N ATOM 0 H GLN B 103 -6.349 -10.865 3.197 1.00 0.00 H new ATOM 0 HA GLN B 103 -8.528 -12.850 3.001 1.00 0.00 H new ATOM 0 HB2 GLN B 103 -9.279 -10.962 4.284 1.00 0.00 H new ATOM 0 HB3 GLN B 103 -8.590 -9.821 3.146 1.00 0.00 H new ATOM 0 HG2 GLN B 103 -10.564 -9.744 2.097 1.00 0.00 H new ATOM 0 HG3 GLN B 103 -10.319 -11.404 1.592 1.00 0.00 H new ATOM 0 HE21 GLN B 103 -12.842 -10.174 2.056 1.00 0.00 H new ATOM 0 HE22 GLN B 103 -13.613 -11.023 3.401 1.00 0.00 H new ATOM 1223 N ARG B 104 -8.488 -12.818 0.540 1.00 0.00 N ATOM 1224 CA ARG B 104 -8.433 -12.853 -0.904 1.00 0.00 C ATOM 1225 C ARG B 104 -9.537 -12.007 -1.513 1.00 0.00 C ATOM 1226 O ARG B 104 -10.722 -12.335 -1.418 1.00 0.00 O ATOM 1227 CB ARG B 104 -8.546 -14.286 -1.401 1.00 0.00 C ATOM 1228 CG ARG B 104 -8.072 -14.451 -2.829 1.00 0.00 C ATOM 1229 CD ARG B 104 -8.024 -15.908 -3.228 1.00 0.00 C ATOM 1230 NE ARG B 104 -8.786 -16.168 -4.445 1.00 0.00 N ATOM 1231 CZ ARG B 104 -10.109 -16.184 -4.502 1.00 0.00 C ATOM 1232 NH1 ARG B 104 -10.830 -15.967 -3.420 1.00 0.00 N ATOM 1233 NH2 ARG B 104 -10.704 -16.441 -5.643 1.00 0.00 N ATOM 0 H ARG B 104 -8.913 -13.639 0.971 1.00 0.00 H new ATOM 0 HA ARG B 104 -7.473 -12.440 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG B 104 -7.962 -14.938 -0.752 1.00 0.00 H new ATOM 0 HB3 ARG B 104 -9.584 -14.610 -1.328 1.00 0.00 H new ATOM 0 HG2 ARG B 104 -8.739 -13.910 -3.500 1.00 0.00 H new ATOM 0 HG3 ARG B 104 -7.082 -14.009 -2.939 1.00 0.00 H new ATOM 0 HD2 ARG B 104 -6.987 -16.208 -3.379 1.00 0.00 H new ATOM 0 HD3 ARG B 104 -8.418 -16.519 -2.416 1.00 0.00 H new ATOM 0 HE ARG B 104 -8.268 -16.349 -5.305 1.00 0.00 H new ATOM 0 HH11 ARG B 104 -10.369 -15.785 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG B 104 -11.848 -15.981 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG B 104 -10.148 -16.627 -6.478 1.00 0.00 H new ATOM 0 HH22 ARG B 104 -11.723 -16.455 -5.695 1.00 0.00 H new ATOM 1247 N ILE B 105 -9.130 -10.924 -2.152 1.00 0.00 N ATOM 1248 CA ILE B 105 -10.063 -10.023 -2.802 1.00 0.00 C ATOM 1249 C ILE B 105 -9.826 -10.087 -4.304 1.00 0.00 C ATOM 1250 O ILE B 105 -8.740 -9.787 -4.796 1.00 0.00 O ATOM 1251 CB ILE B 105 -9.949 -8.593 -2.214 1.00 0.00 C ATOM 1252 CG1 ILE B 105 -9.029 -7.671 -3.014 1.00 0.00 C ATOM 1253 CG2 ILE B 105 -9.441 -8.683 -0.788 1.00 0.00 C ATOM 1254 CD1 ILE B 105 -9.766 -6.571 -3.731 1.00 0.00 C ATOM 0 H ILE B 105 -8.152 -10.647 -2.234 1.00 0.00 H new ATOM 0 HA ILE B 105 -11.092 -10.329 -2.614 1.00 0.00 H new ATOM 0 HB ILE B 105 -10.946 -8.156 -2.258 1.00 0.00 H new ATOM 0 HG12 ILE B 105 -8.295 -7.228 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE B 105 -8.476 -8.264 -3.743 1.00 0.00 H new ATOM 0 HG21 ILE B 105 -9.358 -7.681 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE B 105 -10.137 -9.271 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE B 105 -8.462 -9.162 -0.780 1.00 0.00 H new ATOM 0 HD11 ILE B 105 -9.054 -5.953 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE B 105 -10.481 -7.007 -4.429 1.00 0.00 H new ATOM 0 HD13 ILE B 105 -10.297 -5.955 -3.005 1.00 0.00 H new ATOM 1266 N THR B 106 -10.814 -10.594 -5.021 1.00 0.00 N ATOM 1267 CA THR B 106 -10.667 -10.810 -6.453 1.00 0.00 C ATOM 1268 C THR B 106 -11.641 -9.988 -7.307 1.00 0.00 C ATOM 1269 O THR B 106 -12.857 -10.076 -7.139 1.00 0.00 O ATOM 1270 CB THR B 106 -10.801 -12.324 -6.748 1.00 0.00 C ATOM 1271 OG1 THR B 106 -11.934 -12.615 -7.546 1.00 0.00 O ATOM 1272 CG2 THR B 106 -10.898 -13.195 -5.503 1.00 0.00 C ATOM 0 H THR B 106 -11.721 -10.863 -4.640 1.00 0.00 H new ATOM 0 HA THR B 106 -9.676 -10.456 -6.738 1.00 0.00 H new ATOM 0 HB THR B 106 -9.878 -12.562 -7.276 1.00 0.00 H new ATOM 0 HG1 THR B 106 -12.661 -12.942 -6.975 1.00 0.00 H new ATOM 0 HG21 THR B 106 -10.989 -14.241 -5.797 1.00 0.00 H new ATOM 0 HG22 THR B 106 -10.001 -13.065 -4.897 1.00 0.00 H new ATOM 0 HG23 THR B 106 -11.773 -12.904 -4.922 1.00 0.00 H new ATOM 1280 N VAL B 107 -11.083 -9.287 -8.296 1.00 0.00 N ATOM 1281 CA VAL B 107 -11.866 -8.532 -9.287 1.00 0.00 C ATOM 1282 C VAL B 107 -11.896 -9.349 -10.581 1.00 0.00 C ATOM 1283 O VAL B 107 -10.896 -9.398 -11.308 1.00 0.00 O ATOM 1284 CB VAL B 107 -11.335 -7.062 -9.552 1.00 0.00 C ATOM 1285 CG1 VAL B 107 -10.085 -6.755 -8.740 1.00 0.00 C ATOM 1286 CG2 VAL B 107 -11.083 -6.760 -11.047 1.00 0.00 C ATOM 0 H VAL B 107 -10.075 -9.224 -8.436 1.00 0.00 H new ATOM 0 HA VAL B 107 -12.869 -8.390 -8.886 1.00 0.00 H new ATOM 0 HB VAL B 107 -12.140 -6.405 -9.222 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -9.754 -5.738 -8.951 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -10.309 -6.850 -7.677 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -9.295 -7.456 -9.009 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -10.721 -5.738 -11.156 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -10.337 -7.452 -11.437 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -12.013 -6.877 -11.604 1.00 0.00 H new ATOM 1296 N THR B 108 -13.004 -10.025 -10.865 1.00 0.00 N ATOM 1297 CA THR B 108 -13.084 -10.837 -12.078 1.00 0.00 C ATOM 1298 C THR B 108 -13.160 -9.959 -13.328 1.00 0.00 C ATOM 1299 O THR B 108 -14.175 -9.941 -14.028 1.00 0.00 O ATOM 1300 CB THR B 108 -14.270 -11.803 -12.039 1.00 0.00 C ATOM 1301 OG1 THR B 108 -15.243 -11.401 -11.097 1.00 0.00 O ATOM 1302 CG2 THR B 108 -13.887 -13.226 -11.731 1.00 0.00 C ATOM 0 H THR B 108 -13.844 -10.030 -10.287 1.00 0.00 H new ATOM 0 HA THR B 108 -12.170 -11.429 -12.123 1.00 0.00 H new ATOM 0 HB THR B 108 -14.677 -11.768 -13.050 1.00 0.00 H new ATOM 0 HG1 THR B 108 -15.986 -12.040 -11.101 1.00 0.00 H new ATOM 0 HG21 THR B 108 -14.781 -13.849 -11.721 1.00 0.00 H new ATOM 0 HG22 THR B 108 -13.199 -13.591 -12.494 1.00 0.00 H new ATOM 0 HG23 THR B 108 -13.403 -13.270 -10.755 1.00 0.00 H new ATOM 1310 N VAL B 109 -12.072 -9.244 -13.620 1.00 0.00 N ATOM 1311 CA VAL B 109 -12.032 -8.387 -14.803 1.00 0.00 C ATOM 1312 C VAL B 109 -11.366 -9.114 -15.978 1.00 0.00 C ATOM 1313 O VAL B 109 -11.795 -10.202 -16.349 1.00 0.00 O ATOM 1314 CB VAL B 109 -11.344 -7.013 -14.545 1.00 0.00 C ATOM 1315 CG1 VAL B 109 -12.263 -6.090 -13.764 1.00 0.00 C ATOM 1316 CG2 VAL B 109 -9.984 -7.164 -13.856 1.00 0.00 C ATOM 0 H VAL B 109 -11.219 -9.241 -13.061 1.00 0.00 H new ATOM 0 HA VAL B 109 -13.069 -8.169 -15.059 1.00 0.00 H new ATOM 0 HB VAL B 109 -11.150 -6.559 -15.517 1.00 0.00 H new ATOM 0 HG11 VAL B 109 -11.763 -5.136 -13.595 1.00 0.00 H new ATOM 0 HG12 VAL B 109 -13.179 -5.924 -14.331 1.00 0.00 H new ATOM 0 HG13 VAL B 109 -12.508 -6.546 -12.805 1.00 0.00 H new ATOM 0 HG21 VAL B 109 -9.545 -6.179 -13.698 1.00 0.00 H new ATOM 0 HG22 VAL B 109 -10.116 -7.661 -12.895 1.00 0.00 H new ATOM 0 HG23 VAL B 109 -9.322 -7.760 -14.484 1.00 0.00 H new ATOM 1326 N ASP B 110 -10.368 -8.483 -16.585 1.00 0.00 N ATOM 1327 CA ASP B 110 -9.657 -8.992 -17.745 1.00 0.00 C ATOM 1328 C ASP B 110 -9.141 -7.753 -18.425 1.00 0.00 C ATOM 1329 O ASP B 110 -8.054 -7.279 -18.104 1.00 0.00 O ATOM 1330 CB ASP B 110 -10.577 -9.815 -18.677 1.00 0.00 C ATOM 1331 CG ASP B 110 -10.072 -9.922 -20.105 1.00 0.00 C ATOM 1332 OD1 ASP B 110 -8.928 -10.371 -20.297 1.00 0.00 O ATOM 1333 OD2 ASP B 110 -10.835 -9.569 -21.033 1.00 0.00 O ATOM 0 H ASP B 110 -10.023 -7.576 -16.272 1.00 0.00 H new ATOM 0 HA ASP B 110 -8.860 -9.682 -17.470 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -10.690 -10.818 -18.266 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -11.568 -9.361 -18.686 1.00 0.00 H new ATOM 1338 N SER B 111 -9.944 -7.194 -19.319 1.00 0.00 N ATOM 1339 CA SER B 111 -9.578 -5.977 -19.994 1.00 0.00 C ATOM 1340 C SER B 111 -10.146 -4.743 -19.278 1.00 0.00 C ATOM 1341 O SER B 111 -10.070 -3.646 -19.838 1.00 0.00 O ATOM 1342 CB SER B 111 -10.068 -6.006 -21.447 1.00 0.00 C ATOM 1343 OG SER B 111 -9.683 -4.830 -22.144 1.00 0.00 O ATOM 0 H SER B 111 -10.853 -7.572 -19.588 1.00 0.00 H new ATOM 0 HA SER B 111 -8.490 -5.907 -19.980 1.00 0.00 H new ATOM 0 HB2 SER B 111 -9.661 -6.881 -21.953 1.00 0.00 H new ATOM 0 HB3 SER B 111 -11.153 -6.103 -21.465 1.00 0.00 H new ATOM 0 HG SER B 111 -9.662 -4.073 -21.522 1.00 0.00 H new ATOM 1349 N ASP B 112 -10.726 -4.875 -18.049 1.00 0.00 N ATOM 1350 CA ASP B 112 -11.267 -3.695 -17.381 1.00 0.00 C ATOM 1351 C ASP B 112 -10.117 -2.850 -16.842 1.00 0.00 C ATOM 1352 O ASP B 112 -10.028 -2.572 -15.652 1.00 0.00 O ATOM 1353 CB ASP B 112 -12.232 -4.109 -16.264 1.00 0.00 C ATOM 1354 CG ASP B 112 -13.264 -5.121 -16.731 1.00 0.00 C ATOM 1355 OD1 ASP B 112 -12.887 -6.288 -16.980 1.00 0.00 O ATOM 1356 OD2 ASP B 112 -14.448 -4.749 -16.843 1.00 0.00 O ATOM 0 H ASP B 112 -10.820 -5.751 -17.536 1.00 0.00 H new ATOM 0 HA ASP B 112 -11.833 -3.096 -18.094 1.00 0.00 H new ATOM 0 HB2 ASP B 112 -11.663 -4.531 -15.435 1.00 0.00 H new ATOM 0 HB3 ASP B 112 -12.742 -3.224 -15.883 1.00 0.00 H new ATOM 1361 N SER B 113 -9.213 -2.473 -17.745 1.00 0.00 N ATOM 1362 CA SER B 113 -8.031 -1.683 -17.408 1.00 0.00 C ATOM 1363 C SER B 113 -7.087 -2.402 -16.426 1.00 0.00 C ATOM 1364 O SER B 113 -5.932 -1.997 -16.282 1.00 0.00 O ATOM 1365 CB SER B 113 -8.448 -0.325 -16.861 1.00 0.00 C ATOM 1366 OG SER B 113 -8.467 0.638 -17.900 1.00 0.00 O ATOM 0 H SER B 113 -9.281 -2.708 -18.735 1.00 0.00 H new ATOM 0 HA SER B 113 -7.466 -1.544 -18.330 1.00 0.00 H new ATOM 0 HB2 SER B 113 -9.435 -0.397 -16.404 1.00 0.00 H new ATOM 0 HB3 SER B 113 -7.757 -0.012 -16.079 1.00 0.00 H new ATOM 0 HG SER B 113 -9.394 0.890 -18.096 1.00 0.00 H new ATOM 1372 N TYR B 114 -7.562 -3.477 -15.767 1.00 0.00 N ATOM 1373 CA TYR B 114 -6.741 -4.243 -14.830 1.00 0.00 C ATOM 1374 C TYR B 114 -5.446 -4.685 -15.506 1.00 0.00 C ATOM 1375 O TYR B 114 -4.349 -4.445 -14.999 1.00 0.00 O ATOM 1376 CB TYR B 114 -7.492 -5.490 -14.345 1.00 0.00 C ATOM 1377 CG TYR B 114 -6.591 -6.701 -14.177 1.00 0.00 C ATOM 1378 CD1 TYR B 114 -5.749 -6.807 -13.082 1.00 0.00 C ATOM 1379 CD2 TYR B 114 -6.564 -7.721 -15.123 1.00 0.00 C ATOM 1380 CE1 TYR B 114 -4.910 -7.888 -12.920 1.00 0.00 C ATOM 1381 CE2 TYR B 114 -5.729 -8.811 -14.969 1.00 0.00 C ATOM 1382 CZ TYR B 114 -4.902 -8.890 -13.863 1.00 0.00 C ATOM 1383 OH TYR B 114 -4.065 -9.971 -13.700 1.00 0.00 O ATOM 0 H TYR B 114 -8.513 -3.829 -15.872 1.00 0.00 H new ATOM 0 HA TYR B 114 -6.516 -3.601 -13.978 1.00 0.00 H new ATOM 0 HB2 TYR B 114 -7.974 -5.269 -13.393 1.00 0.00 H new ATOM 0 HB3 TYR B 114 -8.283 -5.729 -15.055 1.00 0.00 H new ATOM 0 HD1 TYR B 114 -5.750 -6.024 -12.338 1.00 0.00 H new ATOM 0 HD2 TYR B 114 -7.205 -7.660 -15.990 1.00 0.00 H new ATOM 0 HE1 TYR B 114 -4.262 -7.948 -12.058 1.00 0.00 H new ATOM 0 HE2 TYR B 114 -5.722 -9.598 -15.709 1.00 0.00 H new ATOM 0 HH TYR B 114 -3.416 -9.778 -12.991 1.00 0.00 H new ATOM 1393 N GLN B 115 -5.607 -5.367 -16.646 1.00 0.00 N ATOM 1394 CA GLN B 115 -4.483 -5.902 -17.408 1.00 0.00 C ATOM 1395 C GLN B 115 -3.377 -4.856 -17.622 1.00 0.00 C ATOM 1396 O GLN B 115 -2.197 -5.171 -17.532 1.00 0.00 O ATOM 1397 CB GLN B 115 -4.976 -6.389 -18.770 1.00 0.00 C ATOM 1398 CG GLN B 115 -6.085 -5.518 -19.340 1.00 0.00 C ATOM 1399 CD GLN B 115 -5.968 -5.285 -20.836 1.00 0.00 C ATOM 1400 OE1 GLN B 115 -5.114 -5.861 -21.505 1.00 0.00 O ATOM 1401 NE2 GLN B 115 -6.835 -4.437 -21.369 1.00 0.00 N ATOM 0 H GLN B 115 -6.518 -5.561 -17.061 1.00 0.00 H new ATOM 0 HA GLN B 115 -4.061 -6.726 -16.833 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -4.140 -6.408 -19.469 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -5.336 -7.413 -18.676 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -7.047 -5.984 -19.128 1.00 0.00 H new ATOM 0 HG3 GLN B 115 -6.078 -4.555 -18.829 1.00 0.00 H new ATOM 0 HE21 GLN B 115 -7.529 -3.979 -20.779 1.00 0.00 H new ATOM 0 HE22 GLN B 115 -6.808 -4.242 -22.370 1.00 0.00 H new ATOM 1410 N LEU B 116 -3.755 -3.618 -17.916 1.00 0.00 N ATOM 1411 CA LEU B 116 -2.774 -2.554 -18.140 1.00 0.00 C ATOM 1412 C LEU B 116 -1.776 -2.457 -16.977 1.00 0.00 C ATOM 1413 O LEU B 116 -0.567 -2.525 -17.177 1.00 0.00 O ATOM 1414 CB LEU B 116 -3.488 -1.212 -18.315 1.00 0.00 C ATOM 1415 CG LEU B 116 -4.033 -0.939 -19.716 1.00 0.00 C ATOM 1416 CD1 LEU B 116 -5.326 -0.146 -19.637 1.00 0.00 C ATOM 1417 CD2 LEU B 116 -3.000 -0.195 -20.545 1.00 0.00 C ATOM 0 H LEU B 116 -4.727 -3.323 -18.005 1.00 0.00 H new ATOM 0 HA LEU B 116 -2.220 -2.797 -19.047 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -4.315 -1.164 -17.606 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -2.795 -0.413 -18.051 1.00 0.00 H new ATOM 0 HG LEU B 116 -4.245 -1.892 -20.200 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -5.701 0.040 -20.643 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -6.067 -0.713 -19.073 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -5.140 0.805 -19.138 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -3.400 -0.006 -21.541 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -2.762 0.754 -20.064 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -2.095 -0.798 -20.626 1.00 0.00 H new ATOM 1429 N LEU B 117 -2.316 -2.323 -15.766 1.00 0.00 N ATOM 1430 CA LEU B 117 -1.476 -2.223 -14.559 1.00 0.00 C ATOM 1431 C LEU B 117 -0.486 -3.374 -14.465 1.00 0.00 C ATOM 1432 O LEU B 117 0.677 -3.201 -14.095 1.00 0.00 O ATOM 1433 CB LEU B 117 -2.303 -2.206 -13.295 1.00 0.00 C ATOM 1434 CG LEU B 117 -2.170 -0.920 -12.484 1.00 0.00 C ATOM 1435 CD1 LEU B 117 -0.748 -0.763 -11.969 1.00 0.00 C ATOM 1436 CD2 LEU B 117 -2.560 0.274 -13.333 1.00 0.00 C ATOM 0 H LEU B 117 -3.320 -2.281 -15.589 1.00 0.00 H new ATOM 0 HA LEU B 117 -0.936 -1.281 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -3.351 -2.352 -13.557 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -2.010 -3.050 -12.670 1.00 0.00 H new ATOM 0 HG LEU B 117 -2.842 -0.975 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -0.669 0.159 -11.393 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -0.496 -1.611 -11.333 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -0.058 -0.724 -12.812 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -2.462 1.186 -12.745 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -1.906 0.331 -14.203 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -3.593 0.164 -13.662 1.00 0.00 H new ATOM 1448 N LYS B 118 -0.977 -4.546 -14.801 1.00 0.00 N ATOM 1449 CA LYS B 118 -0.180 -5.771 -14.761 1.00 0.00 C ATOM 1450 C LYS B 118 0.715 -5.894 -15.984 1.00 0.00 C ATOM 1451 O LYS B 118 1.779 -6.510 -15.927 1.00 0.00 O ATOM 1452 CB LYS B 118 -1.065 -7.005 -14.569 1.00 0.00 C ATOM 1453 CG LYS B 118 -2.135 -7.178 -15.628 1.00 0.00 C ATOM 1454 CD LYS B 118 -2.463 -8.646 -15.828 1.00 0.00 C ATOM 1455 CE LYS B 118 -2.638 -8.998 -17.290 1.00 0.00 C ATOM 1456 NZ LYS B 118 -2.345 -10.440 -17.535 1.00 0.00 N ATOM 0 H LYS B 118 -1.939 -4.686 -15.111 1.00 0.00 H new ATOM 0 HA LYS B 118 0.477 -5.711 -13.893 1.00 0.00 H new ATOM 0 HB2 LYS B 118 -0.433 -7.893 -14.560 1.00 0.00 H new ATOM 0 HB3 LYS B 118 -1.544 -6.945 -13.592 1.00 0.00 H new ATOM 0 HG2 LYS B 118 -3.034 -6.637 -15.335 1.00 0.00 H new ATOM 0 HG3 LYS B 118 -1.795 -6.745 -16.569 1.00 0.00 H new ATOM 0 HD2 LYS B 118 -1.666 -9.256 -15.402 1.00 0.00 H new ATOM 0 HD3 LYS B 118 -3.376 -8.890 -15.285 1.00 0.00 H new ATOM 0 HE2 LYS B 118 -3.658 -8.773 -17.602 1.00 0.00 H new ATOM 0 HE3 LYS B 118 -1.976 -8.381 -17.897 1.00 0.00 H new ATOM 0 HZ1 LYS B 118 -2.473 -10.654 -18.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 118 -1.364 -10.647 -17.259 1.00 0.00 H new ATOM 0 HZ3 LYS B 118 -2.994 -11.027 -16.972 1.00 0.00 H new ATOM 1470 N ALA B 119 0.295 -5.259 -17.069 1.00 0.00 N ATOM 1471 CA ALA B 119 1.074 -5.236 -18.302 1.00 0.00 C ATOM 1472 C ALA B 119 2.440 -4.605 -18.019 1.00 0.00 C ATOM 1473 O ALA B 119 3.421 -4.859 -18.719 1.00 0.00 O ATOM 1474 CB ALA B 119 0.334 -4.464 -19.386 1.00 0.00 C ATOM 0 H ALA B 119 -0.587 -4.749 -17.122 1.00 0.00 H new ATOM 0 HA ALA B 119 1.218 -6.255 -18.661 1.00 0.00 H new ATOM 0 HB1 ALA B 119 0.930 -4.457 -20.299 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -0.626 -4.942 -19.583 1.00 0.00 H new ATOM 0 HB3 ALA B 119 0.167 -3.439 -19.054 1.00 0.00 H new ATOM 1480 N TYR B 120 2.478 -3.799 -16.953 1.00 0.00 N ATOM 1481 CA TYR B 120 3.686 -3.133 -16.503 1.00 0.00 C ATOM 1482 C TYR B 120 4.431 -4.054 -15.535 1.00 0.00 C ATOM 1483 O TYR B 120 5.658 -4.132 -15.584 1.00 0.00 O ATOM 1484 CB TYR B 120 3.319 -1.792 -15.852 1.00 0.00 C ATOM 1485 CG TYR B 120 2.184 -1.086 -16.570 1.00 0.00 C ATOM 1486 CD1 TYR B 120 2.153 -1.032 -17.961 1.00 0.00 C ATOM 1487 CD2 TYR B 120 1.132 -0.500 -15.871 1.00 0.00 C ATOM 1488 CE1 TYR B 120 1.120 -0.408 -18.630 1.00 0.00 C ATOM 1489 CE2 TYR B 120 0.096 0.122 -16.536 1.00 0.00 C ATOM 1490 CZ TYR B 120 0.095 0.168 -17.917 1.00 0.00 C ATOM 1491 OH TYR B 120 -0.926 0.799 -18.582 1.00 0.00 O ATOM 0 H TYR B 120 1.660 -3.594 -16.379 1.00 0.00 H new ATOM 0 HA TYR B 120 4.345 -2.922 -17.345 1.00 0.00 H new ATOM 0 HB2 TYR B 120 3.037 -1.962 -14.813 1.00 0.00 H new ATOM 0 HB3 TYR B 120 4.196 -1.145 -15.842 1.00 0.00 H new ATOM 0 HD1 TYR B 120 2.952 -1.487 -18.527 1.00 0.00 H new ATOM 0 HD2 TYR B 120 1.127 -0.533 -14.792 1.00 0.00 H new ATOM 0 HE1 TYR B 120 1.117 -0.372 -19.709 1.00 0.00 H new ATOM 0 HE2 TYR B 120 -0.712 0.572 -15.979 1.00 0.00 H new ATOM 0 HH TYR B 120 -0.693 1.741 -18.722 1.00 0.00 H new ATOM 1501 N ASP B 121 3.646 -4.775 -14.697 1.00 0.00 N ATOM 1502 CA ASP B 121 4.154 -5.769 -13.725 1.00 0.00 C ATOM 1503 C ASP B 121 3.828 -5.378 -12.286 1.00 0.00 C ATOM 1504 O ASP B 121 4.690 -4.917 -11.533 1.00 0.00 O ATOM 1505 CB ASP B 121 5.654 -6.042 -13.885 1.00 0.00 C ATOM 1506 CG ASP B 121 6.036 -7.436 -13.435 1.00 0.00 C ATOM 1507 OD1 ASP B 121 5.976 -8.363 -14.270 1.00 0.00 O ATOM 1508 OD2 ASP B 121 6.393 -7.605 -12.252 1.00 0.00 O ATOM 0 H ASP B 121 2.631 -4.680 -14.679 1.00 0.00 H new ATOM 0 HA ASP B 121 3.631 -6.698 -13.950 1.00 0.00 H new ATOM 0 HB2 ASP B 121 5.936 -5.910 -14.930 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.218 -5.309 -13.308 1.00 0.00 H new ATOM 1513 N VAL B 122 2.561 -5.555 -11.916 1.00 0.00 N ATOM 1514 CA VAL B 122 2.097 -5.212 -10.575 1.00 0.00 C ATOM 1515 C VAL B 122 0.716 -5.783 -10.261 1.00 0.00 C ATOM 1516 O VAL B 122 0.479 -6.213 -9.130 1.00 0.00 O ATOM 1517 CB VAL B 122 2.101 -3.678 -10.385 1.00 0.00 C ATOM 1518 CG1 VAL B 122 0.745 -3.065 -10.696 1.00 0.00 C ATOM 1519 CG2 VAL B 122 2.543 -3.310 -8.979 1.00 0.00 C ATOM 0 H VAL B 122 1.838 -5.934 -12.527 1.00 0.00 H new ATOM 0 HA VAL B 122 2.793 -5.669 -9.872 1.00 0.00 H new ATOM 0 HB VAL B 122 2.818 -3.266 -11.095 1.00 0.00 H new ATOM 0 HG11 VAL B 122 0.791 -1.986 -10.550 1.00 0.00 H new ATOM 0 HG12 VAL B 122 0.477 -3.280 -11.730 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -0.007 -3.489 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL B 122 2.538 -2.226 -8.868 1.00 0.00 H new ATOM 0 HG22 VAL B 122 1.858 -3.752 -8.255 1.00 0.00 H new ATOM 0 HG23 VAL B 122 3.550 -3.688 -8.804 1.00 0.00 H new ATOM 1529 N ASN B 123 -0.213 -5.756 -11.225 1.00 0.00 N ATOM 1530 CA ASN B 123 -1.568 -6.239 -10.983 1.00 0.00 C ATOM 1531 C ASN B 123 -2.223 -5.318 -9.954 1.00 0.00 C ATOM 1532 O ASN B 123 -2.530 -4.168 -10.263 1.00 0.00 O ATOM 1533 CB ASN B 123 -1.569 -7.712 -10.524 1.00 0.00 C ATOM 1534 CG ASN B 123 -1.282 -8.684 -11.656 1.00 0.00 C ATOM 1535 OD1 ASN B 123 -2.169 -9.023 -12.443 1.00 0.00 O ATOM 1536 ND2 ASN B 123 -0.043 -9.141 -11.745 1.00 0.00 N ATOM 0 H ASN B 123 -0.049 -5.407 -12.169 1.00 0.00 H new ATOM 0 HA ASN B 123 -2.143 -6.215 -11.909 1.00 0.00 H new ATOM 0 HB2 ASN B 123 -0.823 -7.844 -9.741 1.00 0.00 H new ATOM 0 HB3 ASN B 123 -2.538 -7.950 -10.084 1.00 0.00 H new ATOM 0 HD21 ASN B 123 0.206 -9.798 -12.484 1.00 0.00 H new ATOM 0 HD22 ASN B 123 0.662 -8.836 -11.074 1.00 0.00 H new ATOM 1543 N ILE B 124 -2.412 -5.796 -8.732 1.00 0.00 N ATOM 1544 CA ILE B 124 -3.005 -4.954 -7.695 1.00 0.00 C ATOM 1545 C ILE B 124 -2.599 -5.325 -6.275 1.00 0.00 C ATOM 1546 O ILE B 124 -3.102 -4.712 -5.331 1.00 0.00 O ATOM 1547 CB ILE B 124 -4.543 -4.906 -7.751 1.00 0.00 C ATOM 1548 CG1 ILE B 124 -5.085 -5.934 -8.718 1.00 0.00 C ATOM 1549 CG2 ILE B 124 -5.025 -3.519 -8.141 1.00 0.00 C ATOM 1550 CD1 ILE B 124 -4.600 -7.320 -8.407 1.00 0.00 C ATOM 0 H ILE B 124 -2.170 -6.741 -8.435 1.00 0.00 H new ATOM 0 HA ILE B 124 -2.598 -3.970 -7.928 1.00 0.00 H new ATOM 0 HB ILE B 124 -4.917 -5.140 -6.754 1.00 0.00 H new ATOM 0 HG12 ILE B 124 -6.174 -5.918 -8.689 1.00 0.00 H new ATOM 0 HG13 ILE B 124 -4.789 -5.667 -9.732 1.00 0.00 H new ATOM 0 HG21 ILE B 124 -6.114 -3.508 -8.174 1.00 0.00 H new ATOM 0 HG22 ILE B 124 -4.677 -2.793 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE B 124 -4.629 -3.259 -9.123 1.00 0.00 H new ATOM 0 HD11 ILE B 124 -5.017 -8.022 -9.129 1.00 0.00 H new ATOM 0 HD12 ILE B 124 -3.512 -7.346 -8.462 1.00 0.00 H new ATOM 0 HD13 ILE B 124 -4.919 -7.600 -7.403 1.00 0.00 H new ATOM 1562 N SER B 125 -1.724 -6.327 -6.103 1.00 0.00 N ATOM 1563 CA SER B 125 -1.320 -6.735 -4.753 1.00 0.00 C ATOM 1564 C SER B 125 -1.163 -5.490 -3.883 1.00 0.00 C ATOM 1565 O SER B 125 -1.908 -5.292 -2.917 1.00 0.00 O ATOM 1566 CB SER B 125 -0.007 -7.523 -4.784 1.00 0.00 C ATOM 1567 OG SER B 125 1.049 -6.741 -5.321 1.00 0.00 O ATOM 0 H SER B 125 -1.293 -6.857 -6.861 1.00 0.00 H new ATOM 0 HA SER B 125 -2.089 -7.385 -4.337 1.00 0.00 H new ATOM 0 HB2 SER B 125 0.251 -7.844 -3.775 1.00 0.00 H new ATOM 0 HB3 SER B 125 -0.135 -8.425 -5.382 1.00 0.00 H new ATOM 0 HG SER B 125 1.875 -7.268 -5.328 1.00 0.00 H new ATOM 1573 N GLY B 126 -0.211 -4.639 -4.262 1.00 0.00 N ATOM 1574 CA GLY B 126 0.015 -3.398 -3.547 1.00 0.00 C ATOM 1575 C GLY B 126 -0.881 -2.272 -4.046 1.00 0.00 C ATOM 1576 O GLY B 126 -1.266 -1.402 -3.269 1.00 0.00 O ATOM 0 H GLY B 126 0.410 -4.791 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY B 126 -0.163 -3.557 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY B 126 1.059 -3.104 -3.655 1.00 0.00 H new ATOM 1580 N LEU B 127 -1.225 -2.288 -5.343 1.00 0.00 N ATOM 1581 CA LEU B 127 -2.086 -1.255 -5.918 1.00 0.00 C ATOM 1582 C LEU B 127 -3.414 -1.168 -5.189 1.00 0.00 C ATOM 1583 O LEU B 127 -3.727 -0.156 -4.588 1.00 0.00 O ATOM 1584 CB LEU B 127 -2.370 -1.546 -7.385 1.00 0.00 C ATOM 1585 CG LEU B 127 -2.824 -0.338 -8.187 1.00 0.00 C ATOM 1586 CD1 LEU B 127 -1.629 0.507 -8.579 1.00 0.00 C ATOM 1587 CD2 LEU B 127 -3.609 -0.787 -9.405 1.00 0.00 C ATOM 0 H LEU B 127 -0.920 -3.001 -6.005 1.00 0.00 H new ATOM 0 HA LEU B 127 -1.554 -0.309 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -1.469 -1.954 -7.843 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -3.137 -2.318 -7.448 1.00 0.00 H new ATOM 0 HG LEU B 127 -3.481 0.277 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -1.966 1.370 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -1.114 0.848 -7.681 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -0.946 -0.088 -9.185 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -3.930 0.086 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -2.978 -1.417 -10.033 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -4.484 -1.354 -9.086 1.00 0.00 H new ATOM 1599 N VAL B 128 -4.178 -2.252 -5.228 1.00 0.00 N ATOM 1600 CA VAL B 128 -5.465 -2.299 -4.546 1.00 0.00 C ATOM 1601 C VAL B 128 -5.269 -1.912 -3.085 1.00 0.00 C ATOM 1602 O VAL B 128 -5.825 -0.934 -2.595 1.00 0.00 O ATOM 1603 CB VAL B 128 -6.079 -3.715 -4.665 1.00 0.00 C ATOM 1604 CG1 VAL B 128 -6.853 -4.121 -3.417 1.00 0.00 C ATOM 1605 CG2 VAL B 128 -6.955 -3.794 -5.902 1.00 0.00 C ATOM 0 H VAL B 128 -3.930 -3.108 -5.723 1.00 0.00 H new ATOM 0 HA VAL B 128 -6.155 -1.594 -5.010 1.00 0.00 H new ATOM 0 HB VAL B 128 -5.258 -4.426 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL B 128 -7.263 -5.122 -3.553 1.00 0.00 H new ATOM 0 HG12 VAL B 128 -6.184 -4.116 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL B 128 -7.667 -3.416 -3.248 1.00 0.00 H new ATOM 0 HG21 VAL B 128 -7.384 -4.793 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL B 128 -7.757 -3.059 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL B 128 -6.354 -3.587 -6.787 1.00 0.00 H new ATOM 1615 N SER B 129 -4.442 -2.692 -2.428 1.00 0.00 N ATOM 1616 CA SER B 129 -4.090 -2.514 -1.036 1.00 0.00 C ATOM 1617 C SER B 129 -3.697 -1.067 -0.697 1.00 0.00 C ATOM 1618 O SER B 129 -4.211 -0.502 0.266 1.00 0.00 O ATOM 1619 CB SER B 129 -2.912 -3.440 -0.757 1.00 0.00 C ATOM 1620 OG SER B 129 -3.349 -4.755 -0.452 1.00 0.00 O ATOM 0 H SER B 129 -3.981 -3.493 -2.860 1.00 0.00 H new ATOM 0 HA SER B 129 -4.958 -2.747 -0.419 1.00 0.00 H new ATOM 0 HB2 SER B 129 -2.254 -3.466 -1.625 1.00 0.00 H new ATOM 0 HB3 SER B 129 -2.327 -3.047 0.075 1.00 0.00 H new ATOM 0 HG SER B 129 -2.968 -5.385 -1.099 1.00 0.00 H new ATOM 1626 N THR B 130 -2.791 -0.466 -1.474 1.00 0.00 N ATOM 1627 CA THR B 130 -2.357 0.907 -1.214 1.00 0.00 C ATOM 1628 C THR B 130 -3.319 1.923 -1.818 1.00 0.00 C ATOM 1629 O THR B 130 -3.751 2.859 -1.141 1.00 0.00 O ATOM 1630 CB THR B 130 -0.927 1.134 -1.734 1.00 0.00 C ATOM 1631 OG1 THR B 130 -0.115 1.694 -0.716 1.00 0.00 O ATOM 1632 CG2 THR B 130 -0.832 2.051 -2.943 1.00 0.00 C ATOM 0 H THR B 130 -2.348 -0.905 -2.281 1.00 0.00 H new ATOM 0 HA THR B 130 -2.359 1.054 -0.134 1.00 0.00 H new ATOM 0 HB THR B 130 -0.585 0.145 -2.038 1.00 0.00 H new ATOM 0 HG1 THR B 130 0.792 1.832 -1.060 1.00 0.00 H new ATOM 0 HG21 THR B 130 0.212 2.154 -3.241 1.00 0.00 H new ATOM 0 HG22 THR B 130 -1.404 1.626 -3.768 1.00 0.00 H new ATOM 0 HG23 THR B 130 -1.235 3.031 -2.689 1.00 0.00 H new ATOM 1640 N THR B 131 -3.643 1.745 -3.099 1.00 0.00 N ATOM 1641 CA THR B 131 -4.539 2.664 -3.785 1.00 0.00 C ATOM 1642 C THR B 131 -5.862 2.787 -3.049 1.00 0.00 C ATOM 1643 O THR B 131 -6.384 3.894 -2.896 1.00 0.00 O ATOM 1644 CB THR B 131 -4.764 2.267 -5.256 1.00 0.00 C ATOM 1645 OG1 THR B 131 -4.675 3.406 -6.091 1.00 0.00 O ATOM 1646 CG2 THR B 131 -6.107 1.622 -5.528 1.00 0.00 C ATOM 0 H THR B 131 -3.299 0.977 -3.676 1.00 0.00 H new ATOM 0 HA THR B 131 -4.054 3.640 -3.786 1.00 0.00 H new ATOM 0 HB THR B 131 -3.985 1.535 -5.469 1.00 0.00 H new ATOM 0 HG1 THR B 131 -4.343 3.139 -6.974 1.00 0.00 H new ATOM 0 HG21 THR B 131 -6.184 1.374 -6.587 1.00 0.00 H new ATOM 0 HG22 THR B 131 -6.201 0.713 -4.934 1.00 0.00 H new ATOM 0 HG23 THR B 131 -6.904 2.315 -5.259 1.00 0.00 H new ATOM 1654 N MET B 132 -6.401 1.664 -2.567 1.00 0.00 N ATOM 1655 CA MET B 132 -7.648 1.711 -1.835 1.00 0.00 C ATOM 1656 C MET B 132 -7.499 2.571 -0.595 1.00 0.00 C ATOM 1657 O MET B 132 -8.330 3.419 -0.354 1.00 0.00 O ATOM 1658 CB MET B 132 -8.137 0.315 -1.483 1.00 0.00 C ATOM 1659 CG MET B 132 -9.070 -0.237 -2.538 1.00 0.00 C ATOM 1660 SD MET B 132 -8.356 -1.556 -3.505 1.00 0.00 S ATOM 1661 CE MET B 132 -9.518 -2.843 -3.104 1.00 0.00 C ATOM 0 H MET B 132 -5.996 0.734 -2.672 1.00 0.00 H new ATOM 0 HA MET B 132 -8.403 2.164 -2.477 1.00 0.00 H new ATOM 0 HB2 MET B 132 -7.282 -0.352 -1.369 1.00 0.00 H new ATOM 0 HB3 MET B 132 -8.650 0.341 -0.522 1.00 0.00 H new ATOM 0 HG2 MET B 132 -9.976 -0.602 -2.054 1.00 0.00 H new ATOM 0 HG3 MET B 132 -9.368 0.571 -3.206 1.00 0.00 H new ATOM 0 HE1 MET B 132 -9.312 -3.722 -3.714 1.00 0.00 H new ATOM 0 HE2 MET B 132 -9.424 -3.103 -2.050 1.00 0.00 H new ATOM 0 HE3 MET B 132 -10.531 -2.493 -3.303 1.00 0.00 H new ATOM 1671 N GLN B 133 -6.430 2.381 0.178 1.00 0.00 N ATOM 1672 CA GLN B 133 -6.214 3.199 1.379 1.00 0.00 C ATOM 1673 C GLN B 133 -6.371 4.686 1.051 1.00 0.00 C ATOM 1674 O GLN B 133 -6.888 5.457 1.861 1.00 0.00 O ATOM 1675 CB GLN B 133 -4.821 2.932 1.962 1.00 0.00 C ATOM 1676 CG GLN B 133 -4.328 4.005 2.930 1.00 0.00 C ATOM 1677 CD GLN B 133 -3.665 3.431 4.173 1.00 0.00 C ATOM 1678 OE1 GLN B 133 -3.975 3.831 5.297 1.00 0.00 O ATOM 1679 NE2 GLN B 133 -2.744 2.499 3.982 1.00 0.00 N ATOM 0 H GLN B 133 -5.709 1.681 0.002 1.00 0.00 H new ATOM 0 HA GLN B 133 -6.964 2.925 2.121 1.00 0.00 H new ATOM 0 HB2 GLN B 133 -4.834 1.972 2.478 1.00 0.00 H new ATOM 0 HB3 GLN B 133 -4.108 2.844 1.142 1.00 0.00 H new ATOM 0 HG2 GLN B 133 -3.619 4.653 2.414 1.00 0.00 H new ATOM 0 HG3 GLN B 133 -5.170 4.629 3.230 1.00 0.00 H new ATOM 0 HE21 GLN B 133 -2.515 2.194 3.036 1.00 0.00 H new ATOM 0 HE22 GLN B 133 -2.263 2.086 4.781 1.00 0.00 H new ATOM 1688 N ASN B 134 -5.939 5.079 -0.147 1.00 0.00 N ATOM 1689 CA ASN B 134 -6.049 6.466 -0.579 1.00 0.00 C ATOM 1690 C ASN B 134 -7.511 6.829 -0.850 1.00 0.00 C ATOM 1691 O ASN B 134 -8.013 7.825 -0.325 1.00 0.00 O ATOM 1692 CB ASN B 134 -5.125 6.713 -1.802 1.00 0.00 C ATOM 1693 CG ASN B 134 -5.846 6.958 -3.122 1.00 0.00 C ATOM 1694 OD1 ASN B 134 -6.751 7.778 -3.214 1.00 0.00 O ATOM 1695 ND2 ASN B 134 -5.422 6.254 -4.162 1.00 0.00 N ATOM 0 H ASN B 134 -5.511 4.456 -0.832 1.00 0.00 H new ATOM 0 HA ASN B 134 -5.710 7.128 0.217 1.00 0.00 H new ATOM 0 HB2 ASN B 134 -4.489 7.572 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN B 134 -4.468 5.852 -1.920 1.00 0.00 H new ATOM 0 HD21 ASN B 134 -5.852 6.387 -5.077 1.00 0.00 H new ATOM 0 HD22 ASN B 134 -4.665 5.580 -4.047 1.00 0.00 H new ATOM 1702 N GLU B 135 -8.205 5.993 -1.618 1.00 0.00 N ATOM 1703 CA GLU B 135 -9.621 6.218 -1.904 1.00 0.00 C ATOM 1704 C GLU B 135 -10.488 5.798 -0.707 1.00 0.00 C ATOM 1705 O GLU B 135 -11.667 6.141 -0.628 1.00 0.00 O ATOM 1706 CB GLU B 135 -10.033 5.452 -3.165 1.00 0.00 C ATOM 1707 CG GLU B 135 -9.678 6.180 -4.456 1.00 0.00 C ATOM 1708 CD GLU B 135 -10.402 7.503 -4.597 1.00 0.00 C ATOM 1709 OE1 GLU B 135 -11.615 7.487 -4.893 1.00 0.00 O ATOM 1710 OE2 GLU B 135 -9.757 8.557 -4.406 1.00 0.00 O ATOM 0 H GLU B 135 -7.813 5.157 -2.052 1.00 0.00 H new ATOM 0 HA GLU B 135 -9.776 7.283 -2.078 1.00 0.00 H new ATOM 0 HB2 GLU B 135 -9.550 4.475 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU B 135 -11.108 5.276 -3.139 1.00 0.00 H new ATOM 0 HG2 GLU B 135 -8.602 6.354 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU B 135 -9.923 5.544 -5.307 1.00 0.00 H new ATOM 1717 N ALA B 136 -9.877 5.064 0.227 1.00 0.00 N ATOM 1718 CA ALA B 136 -10.540 4.592 1.437 1.00 0.00 C ATOM 1719 C ALA B 136 -10.523 5.678 2.498 1.00 0.00 C ATOM 1720 O ALA B 136 -11.465 5.814 3.268 1.00 0.00 O ATOM 1721 CB ALA B 136 -9.854 3.341 1.959 1.00 0.00 C ATOM 0 H ALA B 136 -8.900 4.780 0.160 1.00 0.00 H new ATOM 0 HA ALA B 136 -11.575 4.349 1.197 1.00 0.00 H new ATOM 0 HB1 ALA B 136 -10.359 2.999 2.863 1.00 0.00 H new ATOM 0 HB2 ALA B 136 -9.898 2.559 1.201 1.00 0.00 H new ATOM 0 HB3 ALA B 136 -8.812 3.566 2.189 1.00 0.00 H new ATOM 1727 N ARG B 137 -9.445 6.458 2.525 1.00 0.00 N ATOM 1728 CA ARG B 137 -9.336 7.556 3.470 1.00 0.00 C ATOM 1729 C ARG B 137 -10.059 8.768 2.936 1.00 0.00 C ATOM 1730 O ARG B 137 -10.844 9.414 3.626 1.00 0.00 O ATOM 1731 CB ARG B 137 -7.893 7.946 3.677 1.00 0.00 C ATOM 1732 CG ARG B 137 -7.337 7.495 5.004 1.00 0.00 C ATOM 1733 CD ARG B 137 -5.825 7.491 4.991 1.00 0.00 C ATOM 1734 NE ARG B 137 -5.276 6.290 5.629 1.00 0.00 N ATOM 1735 CZ ARG B 137 -5.468 5.945 6.897 1.00 0.00 C ATOM 1736 NH1 ARG B 137 -6.167 6.708 7.721 1.00 0.00 N ATOM 1737 NH2 ARG B 137 -4.951 4.820 7.335 1.00 0.00 N ATOM 0 H ARG B 137 -8.642 6.348 1.906 1.00 0.00 H new ATOM 0 HA ARG B 137 -9.773 7.224 4.412 1.00 0.00 H new ATOM 0 HB2 ARG B 137 -7.290 7.520 2.875 1.00 0.00 H new ATOM 0 HB3 ARG B 137 -7.803 9.030 3.603 1.00 0.00 H new ATOM 0 HG2 ARG B 137 -7.695 8.155 5.794 1.00 0.00 H new ATOM 0 HG3 ARG B 137 -7.704 6.495 5.234 1.00 0.00 H new ATOM 0 HD2 ARG B 137 -5.471 7.550 3.962 1.00 0.00 H new ATOM 0 HD3 ARG B 137 -5.455 8.377 5.507 1.00 0.00 H new ATOM 0 HE ARG B 137 -4.703 5.672 5.055 1.00 0.00 H new ATOM 0 HH11 ARG B 137 -6.572 7.582 7.387 1.00 0.00 H new ATOM 0 HH12 ARG B 137 -6.301 6.422 8.691 1.00 0.00 H new ATOM 0 HH21 ARG B 137 -4.412 4.227 6.704 1.00 0.00 H new ATOM 0 HH22 ARG B 137 -5.089 4.539 8.306 1.00 0.00 H new ATOM 1751 N ARG B 138 -9.720 9.091 1.699 1.00 0.00 N ATOM 1752 CA ARG B 138 -10.261 10.259 1.035 1.00 0.00 C ATOM 1753 C ARG B 138 -11.791 10.222 0.840 1.00 0.00 C ATOM 1754 O ARG B 138 -12.393 11.275 0.627 1.00 0.00 O ATOM 1755 CB ARG B 138 -9.566 10.474 -0.310 1.00 0.00 C ATOM 1756 CG ARG B 138 -9.024 11.882 -0.486 1.00 0.00 C ATOM 1757 CD ARG B 138 -9.406 12.462 -1.835 1.00 0.00 C ATOM 1758 NE ARG B 138 -9.736 13.886 -1.740 1.00 0.00 N ATOM 1759 CZ ARG B 138 -10.080 14.640 -2.773 1.00 0.00 C ATOM 1760 NH1 ARG B 138 -10.133 14.125 -3.985 1.00 0.00 N ATOM 1761 NH2 ARG B 138 -10.373 15.912 -2.592 1.00 0.00 N ATOM 0 H ARG B 138 -9.065 8.552 1.132 1.00 0.00 H new ATOM 0 HA ARG B 138 -10.062 11.098 1.701 1.00 0.00 H new ATOM 0 HB2 ARG B 138 -8.747 9.762 -0.406 1.00 0.00 H new ATOM 0 HB3 ARG B 138 -10.270 10.260 -1.114 1.00 0.00 H new ATOM 0 HG2 ARG B 138 -9.408 12.522 0.308 1.00 0.00 H new ATOM 0 HG3 ARG B 138 -7.938 11.870 -0.389 1.00 0.00 H new ATOM 0 HD2 ARG B 138 -8.582 12.326 -2.536 1.00 0.00 H new ATOM 0 HD3 ARG B 138 -10.260 11.917 -2.237 1.00 0.00 H new ATOM 0 HE ARG B 138 -9.698 14.325 -0.820 1.00 0.00 H new ATOM 0 HH11 ARG B 138 -9.908 13.141 -4.131 1.00 0.00 H new ATOM 0 HH12 ARG B 138 -10.399 14.711 -4.777 1.00 0.00 H new ATOM 0 HH21 ARG B 138 -10.335 16.316 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG B 138 -10.638 16.493 -3.388 1.00 0.00 H new