USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 563 hydrogens (18 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 1 KDH O03 : rot 110:sc= -0.047 USER MOD Set 1.2: A 120 MET CE :methyl -127:sc= -3.2 (180deg=-9.18!) USER MOD Single : A 1 KDH O02 : rot 180:sc= 0 USER MOD Single : A 1 KDH O1 : rot 1:sc= 0.0478 USER MOD Single : A 1 KDH O10 : rot 180:sc=0.000151 USER MOD Single : A 1 KDH O44 : rot -159:sc= -0.453 USER MOD Single : A 1 KDH O47 : rot -120:sc= 0.0122 USER MOD Single : A 1 KDH O50 : rot -176:sc= 0.0393 USER MOD Single : A 1 KDH O7 : rot -75:sc= 0.827 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 162:sc= -0.071 (180deg=-0.267) USER MOD Single : A 107 ASN : amide:sc= -0.0251 X(o=-0.025,f=-0.068) USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 146:sc= -0.0915 (180deg=-0.721) USER MOD Single : A 122 GLN : amide:sc= -0.0734 X(o=-0.073,f=0) USER MOD Single : A 124 THR OG1 : rot -38:sc= 0.666 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 129 THR OG1 : rot 81:sc= 0.821 USER MOD Single : A 137 MET CE :methyl -154:sc= -2.32 (180deg=-5.26!) USER MOD Single : A 138 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.129) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN :FLIP amide:sc= -1.19! C(o=-2.9!,f=-1.2!) USER MOD Single : A 144 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 150 TYR OH : rot 58:sc= 0.113 USER MOD Single : A 157 MET CE :methyl 155:sc= -0.442 (180deg=-1.91!) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 90 11.818 7.717 5.504 1.00 2.87 N ATOM 2 CA MET A 90 12.236 8.685 4.448 1.00 2.20 C ATOM 3 C MET A 90 11.606 8.306 3.105 1.00 1.76 C ATOM 4 O MET A 90 12.294 8.076 2.130 1.00 2.23 O ATOM 5 CB MET A 90 13.759 8.566 4.380 1.00 2.68 C ATOM 6 CG MET A 90 14.393 9.541 5.373 1.00 3.11 C ATOM 7 SD MET A 90 15.399 8.621 6.564 1.00 4.08 S ATOM 8 CE MET A 90 15.974 10.042 7.525 1.00 4.71 C ATOM 0 HA MET A 90 11.918 9.703 4.672 1.00 2.20 H new ATOM 0 HB2 MET A 90 14.065 7.546 4.611 1.00 2.68 H new ATOM 0 HB3 MET A 90 14.106 8.782 3.370 1.00 2.68 H new ATOM 0 HG2 MET A 90 15.010 10.266 4.843 1.00 3.11 H new ATOM 0 HG3 MET A 90 13.617 10.103 5.893 1.00 3.11 H new ATOM 0 HE1 MET A 90 16.624 9.698 8.330 1.00 4.71 H new ATOM 0 HE2 MET A 90 16.528 10.720 6.876 1.00 4.71 H new ATOM 0 HE3 MET A 90 15.117 10.565 7.949 1.00 4.71 H new ATOM 20 N GLY A 91 10.305 8.241 3.046 1.00 1.61 N ATOM 21 CA GLY A 91 9.633 7.878 1.766 1.00 1.31 C ATOM 22 C GLY A 91 9.662 6.359 1.584 1.00 1.37 C ATOM 23 O GLY A 91 10.533 5.818 0.931 1.00 1.61 O ATOM 0 H GLY A 91 9.677 8.424 3.829 1.00 1.61 H new ATOM 0 HA2 GLY A 91 8.603 8.234 1.771 1.00 1.31 H new ATOM 0 HA3 GLY A 91 10.135 8.364 0.929 1.00 1.31 H new ATOM 27 N LYS A 92 8.715 5.667 2.156 1.00 1.27 N ATOM 28 CA LYS A 92 8.686 4.182 2.014 1.00 1.47 C ATOM 29 C LYS A 92 7.256 3.710 1.739 1.00 1.40 C ATOM 30 O LYS A 92 6.951 3.206 0.677 1.00 1.56 O ATOM 31 CB LYS A 92 9.179 3.646 3.359 1.00 1.61 C ATOM 32 CG LYS A 92 8.976 2.130 3.409 1.00 1.94 C ATOM 33 CD LYS A 92 10.219 1.467 4.007 1.00 2.31 C ATOM 34 CE LYS A 92 10.340 0.036 3.477 1.00 2.59 C ATOM 35 NZ LYS A 92 11.116 0.159 2.212 1.00 3.20 N ATOM 0 H LYS A 92 7.960 6.064 2.715 1.00 1.27 H new ATOM 0 HA LYS A 92 9.303 3.832 1.186 1.00 1.47 H new ATOM 0 HB2 LYS A 92 10.233 3.887 3.494 1.00 1.61 H new ATOM 0 HB3 LYS A 92 8.636 4.124 4.174 1.00 1.61 H new ATOM 0 HG2 LYS A 92 8.098 1.890 4.009 1.00 1.94 H new ATOM 0 HG3 LYS A 92 8.792 1.744 2.406 1.00 1.94 H new ATOM 0 HD2 LYS A 92 11.110 2.039 3.747 1.00 2.31 H new ATOM 0 HD3 LYS A 92 10.152 1.459 5.095 1.00 2.31 H new ATOM 0 HE2 LYS A 92 10.851 -0.608 4.193 1.00 2.59 H new ATOM 0 HE3 LYS A 92 9.359 -0.403 3.297 1.00 2.59 H new ATOM 0 HZ1 LYS A 92 11.241 -0.783 1.788 1.00 3.20 H new ATOM 0 HZ2 LYS A 92 10.602 0.772 1.548 1.00 3.20 H new ATOM 0 HZ3 LYS A 92 12.048 0.573 2.415 1.00 3.20 H new ATOM 49 N SER A 93 6.377 3.872 2.690 1.00 1.38 N ATOM 50 CA SER A 93 4.966 3.436 2.486 1.00 1.40 C ATOM 51 C SER A 93 4.006 4.512 2.995 1.00 1.20 C ATOM 52 O SER A 93 4.415 5.491 3.589 1.00 1.08 O ATOM 53 CB SER A 93 4.822 2.157 3.310 1.00 1.60 C ATOM 54 OG SER A 93 3.947 1.261 2.637 1.00 2.20 O ATOM 0 H SER A 93 6.575 4.288 3.600 1.00 1.38 H new ATOM 0 HA SER A 93 4.732 3.270 1.434 1.00 1.40 H new ATOM 0 HB2 SER A 93 5.797 1.692 3.454 1.00 1.60 H new ATOM 0 HB3 SER A 93 4.431 2.391 4.300 1.00 1.60 H new ATOM 0 HG SER A 93 3.854 0.439 3.162 1.00 2.20 H new ATOM 60 N GLU A 94 2.733 4.340 2.770 1.00 1.26 N ATOM 61 CA GLU A 94 1.750 5.355 3.245 1.00 1.17 C ATOM 62 C GLU A 94 2.102 5.801 4.667 1.00 1.12 C ATOM 63 O GLU A 94 1.829 6.915 5.064 1.00 1.09 O ATOM 64 CB GLU A 94 0.400 4.637 3.219 1.00 1.33 C ATOM 65 CG GLU A 94 0.065 4.241 1.780 1.00 1.28 C ATOM 66 CD GLU A 94 -1.402 4.560 1.491 1.00 1.44 C ATOM 67 OE1 GLU A 94 -2.167 4.648 2.438 1.00 1.94 O ATOM 68 OE2 GLU A 94 -1.737 4.712 0.327 1.00 2.09 O ATOM 0 H GLU A 94 2.331 3.542 2.279 1.00 1.26 H new ATOM 0 HA GLU A 94 1.743 6.252 2.626 1.00 1.17 H new ATOM 0 HB2 GLU A 94 0.434 3.751 3.853 1.00 1.33 H new ATOM 0 HB3 GLU A 94 -0.378 5.287 3.620 1.00 1.33 H new ATOM 0 HG2 GLU A 94 0.709 4.779 1.084 1.00 1.28 H new ATOM 0 HG3 GLU A 94 0.253 3.178 1.631 1.00 1.28 H new ATOM 75 N GLU A 95 2.715 4.940 5.435 1.00 1.19 N ATOM 76 CA GLU A 95 3.090 5.321 6.827 1.00 1.23 C ATOM 77 C GLU A 95 4.042 6.520 6.801 1.00 1.03 C ATOM 78 O GLU A 95 3.738 7.578 7.314 1.00 1.01 O ATOM 79 CB GLU A 95 3.792 4.090 7.401 1.00 1.45 C ATOM 80 CG GLU A 95 3.212 3.767 8.779 1.00 1.90 C ATOM 81 CD GLU A 95 4.353 3.529 9.770 1.00 2.12 C ATOM 82 OE1 GLU A 95 5.447 3.229 9.322 1.00 2.49 O ATOM 83 OE2 GLU A 95 4.112 3.650 10.960 1.00 2.66 O ATOM 0 H GLU A 95 2.971 3.992 5.159 1.00 1.19 H new ATOM 0 HA GLU A 95 2.226 5.610 7.426 1.00 1.23 H new ATOM 0 HB2 GLU A 95 3.662 3.239 6.732 1.00 1.45 H new ATOM 0 HB3 GLU A 95 4.864 4.273 7.480 1.00 1.45 H new ATOM 0 HG2 GLU A 95 2.583 4.589 9.122 1.00 1.90 H new ATOM 0 HG3 GLU A 95 2.577 2.883 8.720 1.00 1.90 H new ATOM 90 N GLU A 96 5.191 6.362 6.202 1.00 1.02 N ATOM 91 CA GLU A 96 6.161 7.493 6.139 1.00 0.94 C ATOM 92 C GLU A 96 5.767 8.461 5.020 1.00 0.79 C ATOM 93 O GLU A 96 6.100 9.630 5.050 1.00 0.82 O ATOM 94 CB GLU A 96 7.511 6.843 5.830 1.00 1.15 C ATOM 95 CG GLU A 96 7.825 5.784 6.888 1.00 1.62 C ATOM 96 CD GLU A 96 8.464 6.452 8.106 1.00 1.99 C ATOM 97 OE1 GLU A 96 7.725 6.934 8.948 1.00 2.18 O ATOM 98 OE2 GLU A 96 9.682 6.471 8.176 1.00 2.78 O ATOM 0 H GLU A 96 5.500 5.499 5.754 1.00 1.02 H new ATOM 0 HA GLU A 96 6.187 8.066 7.066 1.00 0.94 H new ATOM 0 HB2 GLU A 96 7.488 6.387 4.840 1.00 1.15 H new ATOM 0 HB3 GLU A 96 8.295 7.600 5.815 1.00 1.15 H new ATOM 0 HG2 GLU A 96 6.912 5.266 7.181 1.00 1.62 H new ATOM 0 HG3 GLU A 96 8.499 5.033 6.477 1.00 1.62 H new ATOM 105 N LEU A 97 5.061 7.982 4.033 1.00 0.77 N ATOM 106 CA LEU A 97 4.646 8.870 2.910 1.00 0.71 C ATOM 107 C LEU A 97 4.036 10.164 3.455 1.00 0.67 C ATOM 108 O LEU A 97 4.380 11.250 3.035 1.00 0.75 O ATOM 109 CB LEU A 97 3.596 8.067 2.141 1.00 0.80 C ATOM 110 CG LEU A 97 4.152 7.677 0.773 1.00 0.77 C ATOM 111 CD1 LEU A 97 4.614 8.933 0.032 1.00 1.40 C ATOM 112 CD2 LEU A 97 5.339 6.729 0.958 1.00 1.22 C ATOM 0 H LEU A 97 4.753 7.013 3.955 1.00 0.77 H new ATOM 0 HA LEU A 97 5.486 9.157 2.278 1.00 0.71 H new ATOM 0 HB2 LEU A 97 3.324 7.173 2.703 1.00 0.80 H new ATOM 0 HB3 LEU A 97 2.688 8.657 2.021 1.00 0.80 H new ATOM 0 HG LEU A 97 3.375 7.179 0.193 1.00 0.77 H new ATOM 0 HD11 LEU A 97 5.011 8.654 -0.944 1.00 1.40 H new ATOM 0 HD12 LEU A 97 3.769 9.609 -0.099 1.00 1.40 H new ATOM 0 HD13 LEU A 97 5.392 9.432 0.611 1.00 1.40 H new ATOM 0 HD21 LEU A 97 5.737 6.450 -0.018 1.00 1.22 H new ATOM 0 HD22 LEU A 97 6.116 7.228 1.538 1.00 1.22 H new ATOM 0 HD23 LEU A 97 5.011 5.834 1.486 1.00 1.22 H new ATOM 124 N SER A 98 3.130 10.052 4.386 1.00 0.69 N ATOM 125 CA SER A 98 2.492 11.271 4.959 1.00 0.76 C ATOM 126 C SER A 98 3.437 11.948 5.955 1.00 0.72 C ATOM 127 O SER A 98 3.314 13.123 6.241 1.00 0.77 O ATOM 128 CB SER A 98 1.239 10.760 5.668 1.00 0.92 C ATOM 129 OG SER A 98 1.022 11.523 6.847 1.00 1.57 O ATOM 0 H SER A 98 2.803 9.168 4.776 1.00 0.69 H new ATOM 0 HA SER A 98 2.257 12.013 4.196 1.00 0.76 H new ATOM 0 HB2 SER A 98 0.376 10.838 5.007 1.00 0.92 H new ATOM 0 HB3 SER A 98 1.354 9.706 5.919 1.00 0.92 H new ATOM 0 HG SER A 98 0.218 11.198 7.303 1.00 1.57 H new ATOM 135 N ASP A 99 4.379 11.218 6.487 1.00 0.80 N ATOM 136 CA ASP A 99 5.328 11.825 7.464 1.00 0.86 C ATOM 137 C ASP A 99 6.327 12.733 6.740 1.00 0.81 C ATOM 138 O ASP A 99 6.749 13.745 7.262 1.00 0.91 O ATOM 139 CB ASP A 99 6.049 10.638 8.107 1.00 1.02 C ATOM 140 CG ASP A 99 5.108 9.940 9.090 1.00 1.23 C ATOM 141 OD1 ASP A 99 4.293 10.624 9.688 1.00 1.79 O ATOM 142 OD2 ASP A 99 5.219 8.733 9.230 1.00 1.83 O ATOM 0 H ASP A 99 4.533 10.229 6.288 1.00 0.80 H new ATOM 0 HA ASP A 99 4.819 12.442 8.204 1.00 0.86 H new ATOM 0 HB2 ASP A 99 6.374 9.937 7.338 1.00 1.02 H new ATOM 0 HB3 ASP A 99 6.945 10.980 8.625 1.00 1.02 H new ATOM 147 N LEU A 100 6.707 12.381 5.542 1.00 0.75 N ATOM 148 CA LEU A 100 7.676 13.228 4.788 1.00 0.76 C ATOM 149 C LEU A 100 6.930 14.304 3.995 1.00 0.68 C ATOM 150 O LEU A 100 7.479 15.334 3.656 1.00 0.79 O ATOM 151 CB LEU A 100 8.396 12.266 3.843 1.00 0.86 C ATOM 152 CG LEU A 100 7.412 11.744 2.795 1.00 0.79 C ATOM 153 CD1 LEU A 100 7.583 12.534 1.495 1.00 1.41 C ATOM 154 CD2 LEU A 100 7.691 10.263 2.530 1.00 1.41 C ATOM 0 H LEU A 100 6.389 11.544 5.053 1.00 0.75 H new ATOM 0 HA LEU A 100 8.373 13.745 5.448 1.00 0.76 H new ATOM 0 HB2 LEU A 100 9.227 12.774 3.355 1.00 0.86 H new ATOM 0 HB3 LEU A 100 8.818 11.434 4.407 1.00 0.86 H new ATOM 0 HG LEU A 100 6.393 11.864 3.162 1.00 0.79 H new ATOM 0 HD11 LEU A 100 6.882 12.162 0.748 1.00 1.41 H new ATOM 0 HD12 LEU A 100 7.387 13.590 1.682 1.00 1.41 H new ATOM 0 HD13 LEU A 100 8.602 12.414 1.127 1.00 1.41 H new ATOM 0 HD21 LEU A 100 6.991 9.889 1.783 1.00 1.41 H new ATOM 0 HD22 LEU A 100 8.710 10.145 2.163 1.00 1.41 H new ATOM 0 HD23 LEU A 100 7.571 9.699 3.455 1.00 1.41 H new ATOM 166 N PHE A 101 5.681 14.072 3.697 1.00 0.60 N ATOM 167 CA PHE A 101 4.895 15.079 2.926 1.00 0.59 C ATOM 168 C PHE A 101 4.909 16.430 3.651 1.00 0.60 C ATOM 169 O PHE A 101 5.104 17.466 3.047 1.00 0.72 O ATOM 170 CB PHE A 101 3.474 14.508 2.871 1.00 0.61 C ATOM 171 CG PHE A 101 2.496 15.603 2.517 1.00 0.58 C ATOM 172 CD1 PHE A 101 1.976 16.428 3.523 1.00 0.68 C ATOM 173 CD2 PHE A 101 2.108 15.794 1.186 1.00 0.86 C ATOM 174 CE1 PHE A 101 1.069 17.443 3.196 1.00 0.73 C ATOM 175 CE2 PHE A 101 1.201 16.809 0.860 1.00 0.90 C ATOM 176 CZ PHE A 101 0.682 17.634 1.865 1.00 0.69 C ATOM 0 H PHE A 101 5.169 13.228 3.954 1.00 0.60 H new ATOM 0 HA PHE A 101 5.304 15.253 1.931 1.00 0.59 H new ATOM 0 HB2 PHE A 101 3.422 13.708 2.132 1.00 0.61 H new ATOM 0 HB3 PHE A 101 3.211 14.070 3.834 1.00 0.61 H new ATOM 0 HD1 PHE A 101 2.275 16.281 4.550 1.00 0.68 H new ATOM 0 HD2 PHE A 101 2.508 15.158 0.410 1.00 0.86 H new ATOM 0 HE1 PHE A 101 0.668 18.079 3.971 1.00 0.73 H new ATOM 0 HE2 PHE A 101 0.901 16.956 -0.167 1.00 0.90 H new ATOM 0 HZ PHE A 101 -0.017 18.418 1.613 1.00 0.69 H new ATOM 186 N ARG A 102 4.701 16.427 4.939 1.00 0.67 N ATOM 187 CA ARG A 102 4.699 17.711 5.699 1.00 0.76 C ATOM 188 C ARG A 102 6.133 18.146 6.014 1.00 0.68 C ATOM 189 O ARG A 102 6.382 19.277 6.382 1.00 0.78 O ATOM 190 CB ARG A 102 3.937 17.405 6.988 1.00 0.99 C ATOM 191 CG ARG A 102 4.792 16.508 7.885 1.00 1.30 C ATOM 192 CD ARG A 102 3.909 15.436 8.529 1.00 1.45 C ATOM 193 NE ARG A 102 2.824 16.193 9.213 1.00 2.12 N ATOM 194 CZ ARG A 102 3.056 16.789 10.352 1.00 2.71 C ATOM 195 NH1 ARG A 102 4.242 16.728 10.895 1.00 3.07 N ATOM 196 NH2 ARG A 102 2.101 17.447 10.949 1.00 3.37 N ATOM 0 H ARG A 102 4.532 15.591 5.499 1.00 0.67 H new ATOM 0 HA ARG A 102 4.240 18.523 5.135 1.00 0.76 H new ATOM 0 HB2 ARG A 102 3.694 18.332 7.508 1.00 0.99 H new ATOM 0 HB3 ARG A 102 2.993 16.912 6.757 1.00 0.99 H new ATOM 0 HG2 ARG A 102 5.583 16.039 7.300 1.00 1.30 H new ATOM 0 HG3 ARG A 102 5.278 17.105 8.657 1.00 1.30 H new ATOM 0 HD2 ARG A 102 3.504 14.755 7.780 1.00 1.45 H new ATOM 0 HD3 ARG A 102 4.475 14.831 9.237 1.00 1.45 H new ATOM 0 HE ARG A 102 1.897 16.246 8.791 1.00 2.12 H new ATOM 0 HH11 ARG A 102 4.990 16.214 10.430 1.00 3.07 H new ATOM 0 HH12 ARG A 102 4.420 17.194 11.784 1.00 3.07 H new ATOM 0 HH21 ARG A 102 1.174 17.496 10.526 1.00 3.37 H new ATOM 0 HH22 ARG A 102 2.281 17.913 11.838 1.00 3.37 H new ATOM 210 N MET A 103 7.078 17.257 5.875 1.00 0.71 N ATOM 211 CA MET A 103 8.494 17.621 6.169 1.00 0.75 C ATOM 212 C MET A 103 9.128 18.316 4.961 1.00 0.68 C ATOM 213 O MET A 103 10.230 18.823 5.033 1.00 0.83 O ATOM 214 CB MET A 103 9.193 16.290 6.448 1.00 0.93 C ATOM 215 CG MET A 103 10.680 16.538 6.708 1.00 1.27 C ATOM 216 SD MET A 103 11.545 14.953 6.822 1.00 1.82 S ATOM 217 CE MET A 103 12.162 15.154 8.511 1.00 2.43 C ATOM 0 H MET A 103 6.931 16.295 5.571 1.00 0.71 H new ATOM 0 HA MET A 103 8.576 18.311 7.009 1.00 0.75 H new ATOM 0 HB2 MET A 103 8.739 15.803 7.311 1.00 0.93 H new ATOM 0 HB3 MET A 103 9.069 15.617 5.600 1.00 0.93 H new ATOM 0 HG2 MET A 103 11.105 17.140 5.905 1.00 1.27 H new ATOM 0 HG3 MET A 103 10.809 17.102 7.631 1.00 1.27 H new ATOM 0 HE1 MET A 103 12.737 14.273 8.796 1.00 2.43 H new ATOM 0 HE2 MET A 103 12.800 16.036 8.563 1.00 2.43 H new ATOM 0 HE3 MET A 103 11.321 15.274 9.194 1.00 2.43 H new ATOM 227 N PHE A 104 8.444 18.341 3.851 1.00 0.68 N ATOM 228 CA PHE A 104 9.016 19.000 2.641 1.00 0.79 C ATOM 229 C PHE A 104 8.340 20.351 2.397 1.00 0.71 C ATOM 230 O PHE A 104 8.883 21.217 1.740 1.00 0.88 O ATOM 231 CB PHE A 104 8.723 18.036 1.491 1.00 0.94 C ATOM 232 CG PHE A 104 9.849 17.036 1.375 1.00 1.31 C ATOM 233 CD1 PHE A 104 11.178 17.469 1.439 1.00 1.26 C ATOM 234 CD2 PHE A 104 9.563 15.676 1.204 1.00 2.03 C ATOM 235 CE1 PHE A 104 12.222 16.542 1.333 1.00 1.86 C ATOM 236 CE2 PHE A 104 10.606 14.750 1.097 1.00 2.65 C ATOM 237 CZ PHE A 104 11.936 15.182 1.162 1.00 2.56 C ATOM 0 H PHE A 104 7.516 17.935 3.728 1.00 0.68 H new ATOM 0 HA PHE A 104 10.083 19.199 2.746 1.00 0.79 H new ATOM 0 HB2 PHE A 104 7.780 17.519 1.667 1.00 0.94 H new ATOM 0 HB3 PHE A 104 8.615 18.588 0.558 1.00 0.94 H new ATOM 0 HD1 PHE A 104 11.398 18.518 1.570 1.00 1.26 H new ATOM 0 HD2 PHE A 104 8.537 15.342 1.155 1.00 2.03 H new ATOM 0 HE1 PHE A 104 13.248 16.876 1.383 1.00 1.86 H new ATOM 0 HE2 PHE A 104 10.385 13.701 0.964 1.00 2.65 H new ATOM 0 HZ PHE A 104 12.741 14.467 1.080 1.00 2.56 H new ATOM 247 N ASP A 105 7.159 20.542 2.920 1.00 0.61 N ATOM 248 CA ASP A 105 6.456 21.841 2.714 1.00 0.60 C ATOM 249 C ASP A 105 7.260 22.981 3.345 1.00 0.56 C ATOM 250 O ASP A 105 6.926 23.476 4.403 1.00 0.63 O ATOM 251 CB ASP A 105 5.110 21.682 3.419 1.00 0.68 C ATOM 252 CG ASP A 105 4.408 23.039 3.486 1.00 0.86 C ATOM 253 OD1 ASP A 105 4.613 23.834 2.583 1.00 0.84 O ATOM 254 OD2 ASP A 105 3.679 23.261 4.438 1.00 1.45 O ATOM 0 H ASP A 105 6.652 19.857 3.480 1.00 0.61 H new ATOM 0 HA ASP A 105 6.335 22.082 1.658 1.00 0.60 H new ATOM 0 HB2 ASP A 105 4.489 20.965 2.883 1.00 0.68 H new ATOM 0 HB3 ASP A 105 5.258 21.287 4.424 1.00 0.68 H new ATOM 259 N LYS A 106 8.317 23.399 2.706 1.00 0.59 N ATOM 260 CA LYS A 106 9.141 24.506 3.273 1.00 0.66 C ATOM 261 C LYS A 106 8.311 25.789 3.367 1.00 0.55 C ATOM 262 O LYS A 106 8.624 26.688 4.123 1.00 0.63 O ATOM 263 CB LYS A 106 10.296 24.685 2.287 1.00 0.87 C ATOM 264 CG LYS A 106 11.120 23.397 2.222 1.00 1.21 C ATOM 265 CD LYS A 106 12.601 23.748 2.059 1.00 1.61 C ATOM 266 CE LYS A 106 13.451 22.489 2.246 1.00 1.77 C ATOM 267 NZ LYS A 106 14.226 22.357 0.981 1.00 2.14 N ATOM 0 H LYS A 106 8.647 23.023 1.817 1.00 0.59 H new ATOM 0 HA LYS A 106 9.495 24.283 4.279 1.00 0.66 H new ATOM 0 HB2 LYS A 106 9.909 24.931 1.298 1.00 0.87 H new ATOM 0 HB3 LYS A 106 10.927 25.517 2.598 1.00 0.87 H new ATOM 0 HG2 LYS A 106 10.972 22.811 3.129 1.00 1.21 H new ATOM 0 HG3 LYS A 106 10.787 22.781 1.387 1.00 1.21 H new ATOM 0 HD2 LYS A 106 12.777 24.175 1.072 1.00 1.61 H new ATOM 0 HD3 LYS A 106 12.888 24.505 2.789 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.113 22.584 3.107 1.00 1.77 H new ATOM 0 HE3 LYS A 106 12.826 21.613 2.420 1.00 1.77 H new ATOM 0 HZ1 LYS A 106 15.035 21.722 1.134 1.00 2.14 H new ATOM 0 HZ2 LYS A 106 13.614 21.964 0.238 1.00 2.14 H new ATOM 0 HZ3 LYS A 106 14.571 23.293 0.686 1.00 2.14 H new ATOM 281 N ASN A 107 7.255 25.880 2.605 1.00 0.48 N ATOM 282 CA ASN A 107 6.406 27.106 2.650 1.00 0.50 C ATOM 283 C ASN A 107 5.654 27.181 3.982 1.00 0.58 C ATOM 284 O ASN A 107 4.998 28.160 4.281 1.00 0.70 O ATOM 285 CB ASN A 107 5.425 26.950 1.487 1.00 0.54 C ATOM 286 CG ASN A 107 4.682 28.268 1.265 1.00 0.70 C ATOM 287 OD1 ASN A 107 5.293 29.293 1.037 1.00 1.00 O ATOM 288 ND2 ASN A 107 3.379 28.284 1.321 1.00 0.78 N ATOM 0 H ASN A 107 6.943 25.160 1.954 1.00 0.48 H new ATOM 0 HA ASN A 107 6.994 28.020 2.567 1.00 0.50 H new ATOM 0 HB2 ASN A 107 5.961 26.665 0.581 1.00 0.54 H new ATOM 0 HB3 ASN A 107 4.715 26.152 1.701 1.00 0.54 H new ATOM 0 HD21 ASN A 107 2.873 29.157 1.173 1.00 0.78 H new ATOM 0 HD22 ASN A 107 2.866 27.423 1.512 1.00 0.78 H new ATOM 295 N ALA A 108 5.745 26.156 4.784 1.00 0.65 N ATOM 296 CA ALA A 108 5.037 26.171 6.096 1.00 0.84 C ATOM 297 C ALA A 108 3.551 26.480 5.892 1.00 0.78 C ATOM 298 O ALA A 108 3.162 27.619 5.721 1.00 0.96 O ATOM 299 CB ALA A 108 5.712 27.286 6.895 1.00 1.03 C ATOM 0 H ALA A 108 6.279 25.309 4.588 1.00 0.65 H new ATOM 0 HA ALA A 108 5.093 25.210 6.608 1.00 0.84 H new ATOM 0 HB1 ALA A 108 5.247 27.362 7.878 1.00 1.03 H new ATOM 0 HB2 ALA A 108 6.772 27.060 7.012 1.00 1.03 H new ATOM 0 HB3 ALA A 108 5.599 28.232 6.366 1.00 1.03 H new ATOM 305 N ASP A 109 2.718 25.476 5.907 1.00 0.73 N ATOM 306 CA ASP A 109 1.259 25.714 5.712 1.00 0.74 C ATOM 307 C ASP A 109 0.497 24.388 5.770 1.00 0.78 C ATOM 308 O ASP A 109 -0.626 24.325 6.231 1.00 0.96 O ATOM 309 CB ASP A 109 1.142 26.336 4.320 1.00 0.72 C ATOM 310 CG ASP A 109 1.789 25.409 3.290 1.00 1.15 C ATOM 311 OD1 ASP A 109 3.002 25.440 3.175 1.00 1.66 O ATOM 312 OD2 ASP A 109 1.059 24.683 2.635 1.00 1.95 O ATOM 0 H ASP A 109 2.984 24.501 6.046 1.00 0.73 H new ATOM 0 HA ASP A 109 0.838 26.359 6.484 1.00 0.74 H new ATOM 0 HB2 ASP A 109 0.094 26.499 4.070 1.00 0.72 H new ATOM 0 HB3 ASP A 109 1.629 27.311 4.304 1.00 0.72 H new ATOM 317 N GLY A 110 1.098 23.330 5.303 1.00 0.76 N ATOM 318 CA GLY A 110 0.411 22.009 5.326 1.00 0.85 C ATOM 319 C GLY A 110 0.178 21.531 3.892 1.00 0.70 C ATOM 320 O GLY A 110 -0.439 20.510 3.661 1.00 0.73 O ATOM 0 H GLY A 110 2.037 23.323 4.906 1.00 0.76 H new ATOM 0 HA2 GLY A 110 1.015 21.282 5.869 1.00 0.85 H new ATOM 0 HA3 GLY A 110 -0.540 22.091 5.853 1.00 0.85 H new ATOM 324 N TYR A 111 0.668 22.260 2.925 1.00 0.68 N ATOM 325 CA TYR A 111 0.475 21.846 1.506 1.00 0.60 C ATOM 326 C TYR A 111 1.746 22.123 0.698 1.00 0.58 C ATOM 327 O TYR A 111 2.697 22.693 1.195 1.00 0.83 O ATOM 328 CB TYR A 111 -0.682 22.707 0.997 1.00 0.68 C ATOM 329 CG TYR A 111 -1.900 22.477 1.858 1.00 0.68 C ATOM 330 CD1 TYR A 111 -2.077 23.218 3.033 1.00 0.71 C ATOM 331 CD2 TYR A 111 -2.854 21.525 1.481 1.00 0.78 C ATOM 332 CE1 TYR A 111 -3.208 23.006 3.831 1.00 0.78 C ATOM 333 CE2 TYR A 111 -3.985 21.313 2.279 1.00 0.83 C ATOM 334 CZ TYR A 111 -4.162 22.054 3.454 1.00 0.80 C ATOM 335 OH TYR A 111 -5.277 21.844 4.241 1.00 0.90 O ATOM 0 H TYR A 111 1.193 23.124 3.057 1.00 0.68 H new ATOM 0 HA TYR A 111 0.263 20.781 1.411 1.00 0.60 H new ATOM 0 HB2 TYR A 111 -0.402 23.760 1.019 1.00 0.68 H new ATOM 0 HB3 TYR A 111 -0.905 22.458 -0.040 1.00 0.68 H new ATOM 0 HD1 TYR A 111 -1.341 23.953 3.324 1.00 0.71 H new ATOM 0 HD2 TYR A 111 -2.718 20.954 0.575 1.00 0.78 H new ATOM 0 HE1 TYR A 111 -3.344 23.577 4.737 1.00 0.78 H new ATOM 0 HE2 TYR A 111 -4.721 20.578 1.988 1.00 0.83 H new ATOM 0 HH TYR A 111 -5.838 21.150 3.835 1.00 0.90 H new ATOM 345 N ILE A 112 1.770 21.727 -0.545 1.00 0.50 N ATOM 346 CA ILE A 112 2.978 21.970 -1.383 1.00 0.50 C ATOM 347 C ILE A 112 2.567 22.569 -2.733 1.00 0.49 C ATOM 348 O ILE A 112 1.949 21.917 -3.550 1.00 0.66 O ATOM 349 CB ILE A 112 3.616 20.589 -1.565 1.00 0.50 C ATOM 350 CG1 ILE A 112 4.437 20.242 -0.320 1.00 0.62 C ATOM 351 CG2 ILE A 112 4.535 20.597 -2.790 1.00 0.58 C ATOM 352 CD1 ILE A 112 5.146 18.903 -0.532 1.00 0.66 C ATOM 0 H ILE A 112 1.005 21.245 -1.017 1.00 0.50 H new ATOM 0 HA ILE A 112 3.672 22.675 -0.925 1.00 0.50 H new ATOM 0 HB ILE A 112 2.831 19.847 -1.709 1.00 0.50 H new ATOM 0 HG12 ILE A 112 5.169 21.026 -0.124 1.00 0.62 H new ATOM 0 HG13 ILE A 112 3.787 20.187 0.553 1.00 0.62 H new ATOM 0 HG21 ILE A 112 4.985 19.612 -2.913 1.00 0.58 H new ATOM 0 HG22 ILE A 112 3.955 20.845 -3.679 1.00 0.58 H new ATOM 0 HG23 ILE A 112 5.320 21.340 -2.651 1.00 0.58 H new ATOM 0 HD11 ILE A 112 5.730 18.656 0.354 1.00 0.66 H new ATOM 0 HD12 ILE A 112 4.405 18.123 -0.707 1.00 0.66 H new ATOM 0 HD13 ILE A 112 5.808 18.975 -1.395 1.00 0.66 H new ATOM 364 N ASP A 113 2.903 23.809 -2.969 1.00 0.47 N ATOM 365 CA ASP A 113 2.528 24.452 -4.263 1.00 0.50 C ATOM 366 C ASP A 113 3.467 23.985 -5.380 1.00 0.50 C ATOM 367 O ASP A 113 4.122 22.969 -5.268 1.00 0.57 O ATOM 368 CB ASP A 113 2.682 25.954 -4.019 1.00 0.60 C ATOM 369 CG ASP A 113 4.167 26.325 -4.007 1.00 1.17 C ATOM 370 OD1 ASP A 113 4.979 25.433 -3.826 1.00 1.77 O ATOM 371 OD2 ASP A 113 4.466 27.495 -4.179 1.00 1.85 O ATOM 0 H ASP A 113 3.421 24.405 -2.323 1.00 0.47 H new ATOM 0 HA ASP A 113 1.516 24.193 -4.575 1.00 0.50 H new ATOM 0 HB2 ASP A 113 2.164 26.514 -4.798 1.00 0.60 H new ATOM 0 HB3 ASP A 113 2.221 26.227 -3.070 1.00 0.60 H new ATOM 376 N LEU A 114 3.533 24.719 -6.457 1.00 0.52 N ATOM 377 CA LEU A 114 4.427 24.315 -7.581 1.00 0.57 C ATOM 378 C LEU A 114 5.860 24.789 -7.320 1.00 0.63 C ATOM 379 O LEU A 114 6.813 24.068 -7.542 1.00 0.80 O ATOM 380 CB LEU A 114 3.851 25.013 -8.814 1.00 0.62 C ATOM 381 CG LEU A 114 2.816 24.106 -9.482 1.00 0.61 C ATOM 382 CD1 LEU A 114 2.197 24.832 -10.678 1.00 0.91 C ATOM 383 CD2 LEU A 114 3.498 22.824 -9.963 1.00 0.81 C ATOM 0 H LEU A 114 3.008 25.580 -6.608 1.00 0.52 H new ATOM 0 HA LEU A 114 4.469 23.233 -7.704 1.00 0.57 H new ATOM 0 HB2 LEU A 114 3.390 25.958 -8.527 1.00 0.62 H new ATOM 0 HB3 LEU A 114 4.650 25.249 -9.517 1.00 0.62 H new ATOM 0 HG LEU A 114 2.035 23.856 -8.764 1.00 0.61 H new ATOM 0 HD11 LEU A 114 1.460 24.186 -11.154 1.00 0.91 H new ATOM 0 HD12 LEU A 114 1.712 25.747 -10.337 1.00 0.91 H new ATOM 0 HD13 LEU A 114 2.978 25.082 -11.396 1.00 0.91 H new ATOM 0 HD21 LEU A 114 2.762 22.177 -10.439 1.00 0.81 H new ATOM 0 HD22 LEU A 114 4.279 23.075 -10.681 1.00 0.81 H new ATOM 0 HD23 LEU A 114 3.940 22.306 -9.112 1.00 0.81 H new ATOM 395 N ASP A 115 6.020 25.997 -6.854 1.00 0.61 N ATOM 396 CA ASP A 115 7.391 26.520 -6.584 1.00 0.71 C ATOM 397 C ASP A 115 8.101 25.646 -5.545 1.00 0.65 C ATOM 398 O ASP A 115 9.238 25.256 -5.722 1.00 0.89 O ATOM 399 CB ASP A 115 7.174 27.931 -6.036 1.00 0.80 C ATOM 400 CG ASP A 115 8.526 28.626 -5.867 1.00 1.17 C ATOM 401 OD1 ASP A 115 9.533 27.938 -5.907 1.00 1.76 O ATOM 402 OD2 ASP A 115 8.532 29.835 -5.701 1.00 1.76 O ATOM 0 H ASP A 115 5.260 26.646 -6.648 1.00 0.61 H new ATOM 0 HA ASP A 115 8.015 26.518 -7.478 1.00 0.71 H new ATOM 0 HB2 ASP A 115 6.541 28.503 -6.715 1.00 0.80 H new ATOM 0 HB3 ASP A 115 6.655 27.885 -5.079 1.00 0.80 H new ATOM 407 N GLU A 116 7.443 25.342 -4.460 1.00 0.51 N ATOM 408 CA GLU A 116 8.083 24.500 -3.409 1.00 0.48 C ATOM 409 C GLU A 116 8.559 23.171 -4.001 1.00 0.49 C ATOM 410 O GLU A 116 9.597 22.656 -3.637 1.00 0.63 O ATOM 411 CB GLU A 116 6.987 24.266 -2.369 1.00 0.48 C ATOM 412 CG GLU A 116 6.545 25.610 -1.786 1.00 0.57 C ATOM 413 CD GLU A 116 5.128 25.482 -1.225 1.00 0.60 C ATOM 414 OE1 GLU A 116 4.783 24.398 -0.784 1.00 1.19 O ATOM 415 OE2 GLU A 116 4.413 26.470 -1.244 1.00 1.36 O ATOM 0 H GLU A 116 6.489 25.640 -4.255 1.00 0.51 H new ATOM 0 HA GLU A 116 8.961 24.980 -2.977 1.00 0.48 H new ATOM 0 HB2 GLU A 116 6.138 23.759 -2.827 1.00 0.48 H new ATOM 0 HB3 GLU A 116 7.356 23.616 -1.575 1.00 0.48 H new ATOM 0 HG2 GLU A 116 7.232 25.921 -0.999 1.00 0.57 H new ATOM 0 HG3 GLU A 116 6.574 26.380 -2.557 1.00 0.57 H new ATOM 422 N LEU A 117 7.811 22.608 -4.912 1.00 0.48 N ATOM 423 CA LEU A 117 8.232 21.313 -5.519 1.00 0.52 C ATOM 424 C LEU A 117 9.633 21.445 -6.121 1.00 0.58 C ATOM 425 O LEU A 117 10.452 20.553 -6.016 1.00 0.69 O ATOM 426 CB LEU A 117 7.202 21.029 -6.613 1.00 0.55 C ATOM 427 CG LEU A 117 5.842 20.741 -5.976 1.00 0.50 C ATOM 428 CD1 LEU A 117 4.761 20.751 -7.058 1.00 0.58 C ATOM 429 CD2 LEU A 117 5.874 19.368 -5.302 1.00 0.53 C ATOM 0 H LEU A 117 6.931 22.987 -5.261 1.00 0.48 H new ATOM 0 HA LEU A 117 8.274 20.508 -4.785 1.00 0.52 H new ATOM 0 HB2 LEU A 117 7.126 21.883 -7.285 1.00 0.55 H new ATOM 0 HB3 LEU A 117 7.521 20.178 -7.214 1.00 0.55 H new ATOM 0 HG LEU A 117 5.620 21.506 -5.232 1.00 0.50 H new ATOM 0 HD11 LEU A 117 3.791 20.546 -6.605 1.00 0.58 H new ATOM 0 HD12 LEU A 117 4.737 21.729 -7.539 1.00 0.58 H new ATOM 0 HD13 LEU A 117 4.983 19.986 -7.802 1.00 0.58 H new ATOM 0 HD21 LEU A 117 4.905 19.163 -4.848 1.00 0.53 H new ATOM 0 HD22 LEU A 117 6.096 18.603 -6.046 1.00 0.53 H new ATOM 0 HD23 LEU A 117 6.645 19.359 -4.531 1.00 0.53 H new ATOM 441 N LYS A 118 9.916 22.553 -6.751 1.00 0.59 N ATOM 442 CA LYS A 118 11.266 22.742 -7.357 1.00 0.69 C ATOM 443 C LYS A 118 12.354 22.419 -6.331 1.00 0.64 C ATOM 444 O LYS A 118 13.066 21.442 -6.453 1.00 0.73 O ATOM 445 CB LYS A 118 11.316 24.218 -7.752 1.00 0.83 C ATOM 446 CG LYS A 118 12.317 24.409 -8.893 1.00 0.99 C ATOM 447 CD LYS A 118 13.091 25.711 -8.679 1.00 1.35 C ATOM 448 CE LYS A 118 14.528 25.387 -8.262 1.00 1.51 C ATOM 449 NZ LYS A 118 15.157 24.804 -9.480 1.00 1.99 N ATOM 0 H LYS A 118 9.272 23.335 -6.872 1.00 0.59 H new ATOM 0 HA LYS A 118 11.434 22.087 -8.212 1.00 0.69 H new ATOM 0 HB2 LYS A 118 10.327 24.556 -8.062 1.00 0.83 H new ATOM 0 HB3 LYS A 118 11.606 24.825 -6.894 1.00 0.83 H new ATOM 0 HG2 LYS A 118 13.006 23.566 -8.931 1.00 0.99 H new ATOM 0 HG3 LYS A 118 11.794 24.437 -9.849 1.00 0.99 H new ATOM 0 HD2 LYS A 118 13.091 26.301 -9.595 1.00 1.35 H new ATOM 0 HD3 LYS A 118 12.605 26.314 -7.912 1.00 1.35 H new ATOM 0 HE2 LYS A 118 15.056 26.283 -7.935 1.00 1.51 H new ATOM 0 HE3 LYS A 118 14.549 24.683 -7.430 1.00 1.51 H new ATOM 0 HZ1 LYS A 118 16.160 25.075 -9.516 1.00 1.99 H new ATOM 0 HZ2 LYS A 118 15.079 23.767 -9.449 1.00 1.99 H new ATOM 0 HZ3 LYS A 118 14.671 25.162 -10.327 1.00 1.99 H new ATOM 463 N ILE A 119 12.488 23.230 -5.317 1.00 0.68 N ATOM 464 CA ILE A 119 13.529 22.965 -4.283 1.00 0.74 C ATOM 465 C ILE A 119 13.303 21.589 -3.653 1.00 0.75 C ATOM 466 O ILE A 119 14.183 21.025 -3.033 1.00 0.85 O ATOM 467 CB ILE A 119 13.342 24.064 -3.239 1.00 0.98 C ATOM 468 CG1 ILE A 119 13.615 25.427 -3.879 1.00 1.22 C ATOM 469 CG2 ILE A 119 14.317 23.839 -2.082 1.00 1.08 C ATOM 470 CD1 ILE A 119 12.309 26.218 -3.971 1.00 1.06 C ATOM 0 H ILE A 119 11.922 24.064 -5.160 1.00 0.68 H new ATOM 0 HA ILE A 119 14.536 22.967 -4.701 1.00 0.74 H new ATOM 0 HB ILE A 119 12.319 24.038 -2.863 1.00 0.98 H new ATOM 0 HG12 ILE A 119 14.346 25.979 -3.288 1.00 1.22 H new ATOM 0 HG13 ILE A 119 14.043 25.295 -4.873 1.00 1.22 H new ATOM 0 HG21 ILE A 119 14.184 24.623 -1.337 1.00 1.08 H new ATOM 0 HG22 ILE A 119 14.123 22.868 -1.626 1.00 1.08 H new ATOM 0 HG23 ILE A 119 15.340 23.865 -2.458 1.00 1.08 H new ATOM 0 HD11 ILE A 119 12.503 27.189 -4.427 1.00 1.06 H new ATOM 0 HD12 ILE A 119 11.592 25.668 -4.581 1.00 1.06 H new ATOM 0 HD13 ILE A 119 11.900 26.362 -2.971 1.00 1.06 H new ATOM 482 N MET A 120 12.127 21.046 -3.807 1.00 0.85 N ATOM 483 CA MET A 120 11.840 19.708 -3.218 1.00 1.01 C ATOM 484 C MET A 120 12.640 18.626 -3.947 1.00 0.95 C ATOM 485 O MET A 120 12.967 17.598 -3.387 1.00 1.11 O ATOM 486 CB MET A 120 10.340 19.500 -3.427 1.00 1.17 C ATOM 487 CG MET A 120 9.686 19.126 -2.097 1.00 1.52 C ATOM 488 SD MET A 120 8.175 18.181 -2.414 1.00 1.88 S ATOM 489 CE MET A 120 8.704 16.639 -1.628 1.00 1.43 C ATOM 0 H MET A 120 11.352 21.471 -4.316 1.00 0.85 H new ATOM 0 HA MET A 120 12.117 19.651 -2.165 1.00 1.01 H new ATOM 0 HB2 MET A 120 9.888 20.409 -3.824 1.00 1.17 H new ATOM 0 HB3 MET A 120 10.170 18.713 -4.162 1.00 1.17 H new ATOM 0 HG2 MET A 120 10.376 18.537 -1.493 1.00 1.52 H new ATOM 0 HG3 MET A 120 9.452 20.026 -1.528 1.00 1.52 H new ATOM 0 HE1 MET A 120 8.578 15.812 -2.327 1.00 1.43 H new ATOM 0 HE2 MET A 120 9.753 16.717 -1.343 1.00 1.43 H new ATOM 0 HE3 MET A 120 8.099 16.457 -0.739 1.00 1.43 H new ATOM 499 N LEU A 121 12.956 18.847 -5.193 1.00 0.87 N ATOM 500 CA LEU A 121 13.733 17.830 -5.959 1.00 0.95 C ATOM 501 C LEU A 121 15.236 18.071 -5.793 1.00 0.87 C ATOM 502 O LEU A 121 16.051 17.270 -6.205 1.00 0.97 O ATOM 503 CB LEU A 121 13.318 18.032 -7.416 1.00 1.09 C ATOM 504 CG LEU A 121 12.050 17.226 -7.704 1.00 1.41 C ATOM 505 CD1 LEU A 121 11.009 17.510 -6.621 1.00 2.03 C ATOM 506 CD2 LEU A 121 11.488 17.631 -9.070 1.00 1.80 C ATOM 0 H LEU A 121 12.710 19.688 -5.715 1.00 0.87 H new ATOM 0 HA LEU A 121 13.535 16.815 -5.613 1.00 0.95 H new ATOM 0 HB2 LEU A 121 13.141 19.090 -7.611 1.00 1.09 H new ATOM 0 HB3 LEU A 121 14.121 17.715 -8.081 1.00 1.09 H new ATOM 0 HG LEU A 121 12.288 16.162 -7.709 1.00 1.41 H new ATOM 0 HD11 LEU A 121 10.105 16.936 -6.826 1.00 2.03 H new ATOM 0 HD12 LEU A 121 11.408 17.223 -5.648 1.00 2.03 H new ATOM 0 HD13 LEU A 121 10.770 18.573 -6.616 1.00 2.03 H new ATOM 0 HD21 LEU A 121 10.584 17.057 -9.276 1.00 1.80 H new ATOM 0 HD22 LEU A 121 11.249 18.695 -9.064 1.00 1.80 H new ATOM 0 HD23 LEU A 121 12.230 17.430 -9.843 1.00 1.80 H new ATOM 518 N GLN A 122 15.610 19.173 -5.199 1.00 0.82 N ATOM 519 CA GLN A 122 17.062 19.468 -5.016 1.00 0.95 C ATOM 520 C GLN A 122 17.813 18.207 -4.583 1.00 1.04 C ATOM 521 O GLN A 122 18.996 18.065 -4.822 1.00 1.19 O ATOM 522 CB GLN A 122 17.119 20.530 -3.918 1.00 1.14 C ATOM 523 CG GLN A 122 18.576 20.933 -3.673 1.00 1.42 C ATOM 524 CD GLN A 122 18.646 22.424 -3.340 1.00 1.85 C ATOM 525 OE1 GLN A 122 19.458 23.143 -3.887 1.00 2.44 O ATOM 526 NE2 GLN A 122 17.822 22.922 -2.459 1.00 2.28 N ATOM 0 H GLN A 122 14.974 19.881 -4.833 1.00 0.82 H new ATOM 0 HA GLN A 122 17.529 19.811 -5.939 1.00 0.95 H new ATOM 0 HB2 GLN A 122 16.533 21.402 -4.210 1.00 1.14 H new ATOM 0 HB3 GLN A 122 16.678 20.143 -2.999 1.00 1.14 H new ATOM 0 HG2 GLN A 122 18.993 20.347 -2.854 1.00 1.42 H new ATOM 0 HG3 GLN A 122 19.177 20.719 -4.557 1.00 1.42 H new ATOM 0 HE21 GLN A 122 17.140 22.318 -2.000 1.00 2.28 H new ATOM 0 HE22 GLN A 122 17.860 23.915 -2.230 1.00 2.28 H new ATOM 535 N ALA A 123 17.137 17.291 -3.947 1.00 1.09 N ATOM 536 CA ALA A 123 17.812 16.040 -3.498 1.00 1.33 C ATOM 537 C ALA A 123 18.755 15.519 -4.588 1.00 1.38 C ATOM 538 O ALA A 123 19.726 14.844 -4.309 1.00 1.62 O ATOM 539 CB ALA A 123 16.677 15.047 -3.252 1.00 1.45 C ATOM 0 H ALA A 123 16.145 17.354 -3.718 1.00 1.09 H new ATOM 0 HA ALA A 123 18.419 16.198 -2.607 1.00 1.33 H new ATOM 0 HB1 ALA A 123 17.092 14.096 -2.917 1.00 1.45 H new ATOM 0 HB2 ALA A 123 16.008 15.441 -2.487 1.00 1.45 H new ATOM 0 HB3 ALA A 123 16.120 14.895 -4.177 1.00 1.45 H new ATOM 545 N THR A 124 18.478 15.822 -5.828 1.00 1.29 N ATOM 546 CA THR A 124 19.364 15.335 -6.926 1.00 1.47 C ATOM 547 C THR A 124 19.820 16.501 -7.810 1.00 1.44 C ATOM 548 O THR A 124 20.294 16.305 -8.911 1.00 1.72 O ATOM 549 CB THR A 124 18.502 14.359 -7.728 1.00 1.56 C ATOM 550 OG1 THR A 124 19.295 13.751 -8.738 1.00 2.16 O ATOM 551 CG2 THR A 124 17.339 15.113 -8.375 1.00 1.92 C ATOM 0 H THR A 124 17.681 16.383 -6.128 1.00 1.29 H new ATOM 0 HA THR A 124 20.268 14.863 -6.542 1.00 1.47 H new ATOM 0 HB THR A 124 18.107 13.591 -7.063 1.00 1.56 H new ATOM 0 HG1 THR A 124 19.917 14.412 -9.108 1.00 2.16 H new ATOM 0 HG21 THR A 124 16.726 14.416 -8.946 1.00 1.92 H new ATOM 0 HG22 THR A 124 16.731 15.579 -7.599 1.00 1.92 H new ATOM 0 HG23 THR A 124 17.730 15.882 -9.041 1.00 1.92 H new ATOM 559 N GLY A 125 19.687 17.710 -7.337 1.00 1.26 N ATOM 560 CA GLY A 125 20.121 18.880 -8.153 1.00 1.32 C ATOM 561 C GLY A 125 18.897 19.591 -8.731 1.00 1.26 C ATOM 562 O GLY A 125 18.973 20.731 -9.143 1.00 1.63 O ATOM 0 H GLY A 125 19.297 17.938 -6.422 1.00 1.26 H new ATOM 0 HA2 GLY A 125 20.697 19.571 -7.537 1.00 1.32 H new ATOM 0 HA3 GLY A 125 20.776 18.550 -8.959 1.00 1.32 H new ATOM 566 N GLU A 126 17.773 18.924 -8.762 1.00 1.02 N ATOM 567 CA GLU A 126 16.532 19.551 -9.311 1.00 1.08 C ATOM 568 C GLU A 126 16.855 20.441 -10.513 1.00 0.89 C ATOM 569 O GLU A 126 16.473 21.593 -10.565 1.00 0.87 O ATOM 570 CB GLU A 126 15.961 20.384 -8.162 1.00 1.34 C ATOM 571 CG GLU A 126 16.944 21.496 -7.787 1.00 1.45 C ATOM 572 CD GLU A 126 16.253 22.485 -6.848 1.00 1.61 C ATOM 573 OE1 GLU A 126 15.055 22.668 -6.990 1.00 2.09 O ATOM 574 OE2 GLU A 126 16.932 23.042 -6.001 1.00 2.16 O ATOM 0 H GLU A 126 17.660 17.967 -8.429 1.00 1.02 H new ATOM 0 HA GLU A 126 15.824 18.802 -9.664 1.00 1.08 H new ATOM 0 HB2 GLU A 126 15.004 20.816 -8.455 1.00 1.34 H new ATOM 0 HB3 GLU A 126 15.772 19.747 -7.298 1.00 1.34 H new ATOM 0 HG2 GLU A 126 17.824 21.072 -7.303 1.00 1.45 H new ATOM 0 HG3 GLU A 126 17.290 22.009 -8.684 1.00 1.45 H new ATOM 581 N THR A 127 17.544 19.914 -11.486 1.00 1.09 N ATOM 582 CA THR A 127 17.876 20.732 -12.685 1.00 1.21 C ATOM 583 C THR A 127 17.092 20.210 -13.887 1.00 1.29 C ATOM 584 O THR A 127 17.515 19.301 -14.573 1.00 1.60 O ATOM 585 CB THR A 127 19.379 20.543 -12.896 1.00 1.57 C ATOM 586 OG1 THR A 127 19.740 21.028 -14.182 1.00 1.91 O ATOM 587 CG2 THR A 127 19.730 19.058 -12.793 1.00 2.18 C ATOM 0 H THR A 127 17.891 18.955 -11.503 1.00 1.09 H new ATOM 0 HA THR A 127 17.621 21.784 -12.561 1.00 1.21 H new ATOM 0 HB THR A 127 19.924 21.096 -12.131 1.00 1.57 H new ATOM 0 HG1 THR A 127 20.703 20.909 -14.318 1.00 1.91 H new ATOM 0 HG21 THR A 127 20.801 18.926 -12.944 1.00 2.18 H new ATOM 0 HG22 THR A 127 19.454 18.686 -11.806 1.00 2.18 H new ATOM 0 HG23 THR A 127 19.185 18.502 -13.556 1.00 2.18 H new ATOM 595 N ILE A 128 15.947 20.775 -14.141 1.00 1.08 N ATOM 596 CA ILE A 128 15.127 20.312 -15.291 1.00 1.20 C ATOM 597 C ILE A 128 14.553 21.514 -16.043 1.00 1.18 C ATOM 598 O ILE A 128 14.590 22.631 -15.566 1.00 1.15 O ATOM 599 CB ILE A 128 14.010 19.483 -14.657 1.00 1.12 C ATOM 600 CG1 ILE A 128 13.346 20.293 -13.540 1.00 1.32 C ATOM 601 CG2 ILE A 128 14.597 18.197 -14.072 1.00 1.62 C ATOM 602 CD1 ILE A 128 12.214 19.474 -12.917 1.00 2.03 C ATOM 0 H ILE A 128 15.543 21.540 -13.600 1.00 1.08 H new ATOM 0 HA ILE A 128 15.703 19.735 -16.015 1.00 1.20 H new ATOM 0 HB ILE A 128 13.269 19.232 -15.416 1.00 1.12 H new ATOM 0 HG12 ILE A 128 14.082 20.553 -12.779 1.00 1.32 H new ATOM 0 HG13 ILE A 128 12.955 21.229 -13.939 1.00 1.32 H new ATOM 0 HG21 ILE A 128 13.800 17.606 -13.620 1.00 1.62 H new ATOM 0 HG22 ILE A 128 15.071 17.620 -14.866 1.00 1.62 H new ATOM 0 HG23 ILE A 128 15.338 18.448 -13.313 1.00 1.62 H new ATOM 0 HD11 ILE A 128 11.742 20.051 -12.122 1.00 2.03 H new ATOM 0 HD12 ILE A 128 11.474 19.236 -13.681 1.00 2.03 H new ATOM 0 HD13 ILE A 128 12.618 18.550 -12.503 1.00 2.03 H new ATOM 614 N THR A 129 14.020 21.295 -17.213 1.00 1.34 N ATOM 615 CA THR A 129 13.441 22.429 -17.988 1.00 1.42 C ATOM 616 C THR A 129 12.310 23.082 -17.190 1.00 1.16 C ATOM 617 O THR A 129 11.500 22.410 -16.582 1.00 0.97 O ATOM 618 CB THR A 129 12.899 21.798 -19.272 1.00 1.64 C ATOM 619 OG1 THR A 129 12.803 20.390 -19.104 1.00 2.23 O ATOM 620 CG2 THR A 129 13.841 22.111 -20.435 1.00 2.28 C ATOM 0 H THR A 129 13.960 20.383 -17.665 1.00 1.34 H new ATOM 0 HA THR A 129 14.175 23.207 -18.198 1.00 1.42 H new ATOM 0 HB THR A 129 11.912 22.207 -19.487 1.00 1.64 H new ATOM 0 HG1 THR A 129 11.984 20.174 -18.611 1.00 2.23 H new ATOM 0 HG21 THR A 129 13.453 21.661 -21.349 1.00 2.28 H new ATOM 0 HG22 THR A 129 13.913 23.191 -20.565 1.00 2.28 H new ATOM 0 HG23 THR A 129 14.830 21.705 -20.222 1.00 2.28 H new ATOM 628 N GLU A 130 12.247 24.386 -17.184 1.00 1.31 N ATOM 629 CA GLU A 130 11.167 25.075 -16.421 1.00 1.28 C ATOM 630 C GLU A 130 9.795 24.535 -16.836 1.00 1.16 C ATOM 631 O GLU A 130 8.816 24.695 -16.135 1.00 1.21 O ATOM 632 CB GLU A 130 11.299 26.554 -16.792 1.00 1.69 C ATOM 633 CG GLU A 130 10.024 27.299 -16.389 1.00 2.05 C ATOM 634 CD GLU A 130 10.176 28.786 -16.717 1.00 2.43 C ATOM 635 OE1 GLU A 130 10.881 29.463 -15.988 1.00 3.03 O ATOM 636 OE2 GLU A 130 9.584 29.221 -17.690 1.00 2.70 O ATOM 0 H GLU A 130 12.895 25.003 -17.673 1.00 1.31 H new ATOM 0 HA GLU A 130 11.256 24.916 -15.346 1.00 1.28 H new ATOM 0 HB2 GLU A 130 12.162 26.990 -16.289 1.00 1.69 H new ATOM 0 HB3 GLU A 130 11.469 26.657 -17.864 1.00 1.69 H new ATOM 0 HG2 GLU A 130 9.166 26.885 -16.918 1.00 2.05 H new ATOM 0 HG3 GLU A 130 9.835 27.168 -15.323 1.00 2.05 H new ATOM 643 N ASP A 131 9.718 23.897 -17.972 1.00 1.18 N ATOM 644 CA ASP A 131 8.409 23.349 -18.429 1.00 1.19 C ATOM 645 C ASP A 131 8.122 22.016 -17.732 1.00 1.07 C ATOM 646 O ASP A 131 6.989 21.585 -17.640 1.00 1.14 O ATOM 647 CB ASP A 131 8.573 23.142 -19.935 1.00 1.44 C ATOM 648 CG ASP A 131 7.400 23.793 -20.671 1.00 1.48 C ATOM 649 OD1 ASP A 131 6.321 23.834 -20.104 1.00 2.07 O ATOM 650 OD2 ASP A 131 7.602 24.240 -21.788 1.00 1.91 O ATOM 0 H ASP A 131 10.503 23.732 -18.602 1.00 1.18 H new ATOM 0 HA ASP A 131 7.577 24.014 -18.196 1.00 1.19 H new ATOM 0 HB2 ASP A 131 9.514 23.577 -20.272 1.00 1.44 H new ATOM 0 HB3 ASP A 131 8.614 22.077 -20.164 1.00 1.44 H new ATOM 655 N ASP A 132 9.137 21.362 -17.239 1.00 1.00 N ATOM 656 CA ASP A 132 8.921 20.058 -16.548 1.00 1.03 C ATOM 657 C ASP A 132 8.333 20.290 -15.153 1.00 0.88 C ATOM 658 O ASP A 132 7.603 19.471 -14.633 1.00 1.03 O ATOM 659 CB ASP A 132 10.310 19.429 -16.445 1.00 1.13 C ATOM 660 CG ASP A 132 10.500 18.421 -17.580 1.00 1.39 C ATOM 661 OD1 ASP A 132 9.579 17.660 -17.831 1.00 1.79 O ATOM 662 OD2 ASP A 132 11.563 18.426 -18.178 1.00 1.99 O ATOM 0 H ASP A 132 10.107 21.673 -17.284 1.00 1.00 H new ATOM 0 HA ASP A 132 8.222 19.417 -17.085 1.00 1.03 H new ATOM 0 HB2 ASP A 132 11.076 20.203 -16.500 1.00 1.13 H new ATOM 0 HB3 ASP A 132 10.426 18.933 -15.481 1.00 1.13 H new ATOM 667 N ILE A 133 8.647 21.401 -14.544 1.00 0.75 N ATOM 668 CA ILE A 133 8.107 21.683 -13.183 1.00 0.77 C ATOM 669 C ILE A 133 6.588 21.490 -13.165 1.00 0.70 C ATOM 670 O ILE A 133 6.028 20.987 -12.210 1.00 0.82 O ATOM 671 CB ILE A 133 8.465 23.144 -12.911 1.00 0.87 C ATOM 672 CG1 ILE A 133 9.988 23.294 -12.871 1.00 0.96 C ATOM 673 CG2 ILE A 133 7.875 23.575 -11.567 1.00 1.06 C ATOM 674 CD1 ILE A 133 10.544 22.545 -11.658 1.00 1.00 C ATOM 0 H ILE A 133 9.253 22.125 -14.929 1.00 0.75 H new ATOM 0 HA ILE A 133 8.520 21.014 -12.428 1.00 0.77 H new ATOM 0 HB ILE A 133 8.056 23.772 -13.703 1.00 0.87 H new ATOM 0 HG12 ILE A 133 10.427 22.900 -13.788 1.00 0.96 H new ATOM 0 HG13 ILE A 133 10.259 24.348 -12.816 1.00 0.96 H new ATOM 0 HG21 ILE A 133 8.131 24.617 -11.375 1.00 1.06 H new ATOM 0 HG22 ILE A 133 6.791 23.467 -11.594 1.00 1.06 H new ATOM 0 HG23 ILE A 133 8.282 22.949 -10.773 1.00 1.06 H new ATOM 0 HD11 ILE A 133 11.628 22.652 -11.630 1.00 1.00 H new ATOM 0 HD12 ILE A 133 10.115 22.960 -10.746 1.00 1.00 H new ATOM 0 HD13 ILE A 133 10.286 21.489 -11.733 1.00 1.00 H new ATOM 686 N GLU A 134 5.916 21.888 -14.210 1.00 0.61 N ATOM 687 CA GLU A 134 4.433 21.728 -14.249 1.00 0.64 C ATOM 688 C GLU A 134 4.061 20.308 -14.687 1.00 0.64 C ATOM 689 O GLU A 134 2.913 19.915 -14.635 1.00 0.76 O ATOM 690 CB GLU A 134 3.950 22.750 -15.280 1.00 0.73 C ATOM 691 CG GLU A 134 3.873 24.134 -14.632 1.00 0.89 C ATOM 692 CD GLU A 134 2.719 24.923 -15.252 1.00 1.21 C ATOM 693 OE1 GLU A 134 2.051 24.379 -16.115 1.00 1.87 O ATOM 694 OE2 GLU A 134 2.523 26.060 -14.853 1.00 1.86 O ATOM 0 H GLU A 134 6.328 22.317 -15.038 1.00 0.61 H new ATOM 0 HA GLU A 134 3.977 21.887 -13.272 1.00 0.64 H new ATOM 0 HB2 GLU A 134 4.631 22.773 -16.131 1.00 0.73 H new ATOM 0 HB3 GLU A 134 2.971 22.461 -15.663 1.00 0.73 H new ATOM 0 HG2 GLU A 134 3.724 24.036 -13.557 1.00 0.89 H new ATOM 0 HG3 GLU A 134 4.812 24.668 -14.777 1.00 0.89 H new ATOM 701 N GLU A 135 5.021 19.537 -15.121 1.00 0.59 N ATOM 702 CA GLU A 135 4.714 18.146 -15.564 1.00 0.67 C ATOM 703 C GLU A 135 4.661 17.200 -14.360 1.00 0.74 C ATOM 704 O GLU A 135 3.974 16.198 -14.377 1.00 0.91 O ATOM 705 CB GLU A 135 5.863 17.763 -16.498 1.00 0.72 C ATOM 706 CG GLU A 135 5.338 16.843 -17.602 1.00 1.16 C ATOM 707 CD GLU A 135 6.268 16.916 -18.814 1.00 1.56 C ATOM 708 OE1 GLU A 135 7.466 16.778 -18.627 1.00 2.29 O ATOM 709 OE2 GLU A 135 5.767 17.109 -19.910 1.00 2.03 O ATOM 0 H GLU A 135 6.002 19.809 -15.188 1.00 0.59 H new ATOM 0 HA GLU A 135 3.746 18.078 -16.060 1.00 0.67 H new ATOM 0 HB2 GLU A 135 6.304 18.659 -16.935 1.00 0.72 H new ATOM 0 HB3 GLU A 135 6.651 17.261 -15.936 1.00 0.72 H new ATOM 0 HG2 GLU A 135 5.279 15.817 -17.237 1.00 1.16 H new ATOM 0 HG3 GLU A 135 4.328 17.139 -17.887 1.00 1.16 H new ATOM 716 N LEU A 136 5.380 17.509 -13.316 1.00 0.73 N ATOM 717 CA LEU A 136 5.368 16.624 -12.115 1.00 0.87 C ATOM 718 C LEU A 136 4.096 16.862 -11.296 1.00 0.81 C ATOM 719 O LEU A 136 3.572 15.963 -10.670 1.00 1.00 O ATOM 720 CB LEU A 136 6.605 17.028 -11.311 1.00 0.99 C ATOM 721 CG LEU A 136 7.825 16.265 -11.832 1.00 1.09 C ATOM 722 CD1 LEU A 136 9.095 17.064 -11.533 1.00 1.74 C ATOM 723 CD2 LEU A 136 7.907 14.903 -11.139 1.00 1.75 C ATOM 0 H LEU A 136 5.975 18.334 -13.242 1.00 0.73 H new ATOM 0 HA LEU A 136 5.382 15.567 -12.382 1.00 0.87 H new ATOM 0 HB2 LEU A 136 6.771 18.102 -11.395 1.00 0.99 H new ATOM 0 HB3 LEU A 136 6.451 16.811 -10.254 1.00 0.99 H new ATOM 0 HG LEU A 136 7.731 16.123 -12.909 1.00 1.09 H new ATOM 0 HD11 LEU A 136 9.963 16.520 -11.904 1.00 1.74 H new ATOM 0 HD12 LEU A 136 9.038 18.035 -12.025 1.00 1.74 H new ATOM 0 HD13 LEU A 136 9.190 17.207 -10.457 1.00 1.74 H new ATOM 0 HD21 LEU A 136 8.776 14.358 -11.509 1.00 1.75 H new ATOM 0 HD22 LEU A 136 8.001 15.047 -10.063 1.00 1.75 H new ATOM 0 HD23 LEU A 136 7.003 14.332 -11.351 1.00 1.75 H new ATOM 735 N MET A 137 3.597 18.068 -11.296 1.00 0.67 N ATOM 736 CA MET A 137 2.360 18.366 -10.517 1.00 0.71 C ATOM 737 C MET A 137 1.207 17.476 -10.991 1.00 0.68 C ATOM 738 O MET A 137 0.363 17.072 -10.215 1.00 0.70 O ATOM 739 CB MET A 137 2.056 19.836 -10.807 1.00 0.82 C ATOM 740 CG MET A 137 1.105 20.382 -9.741 1.00 0.99 C ATOM 741 SD MET A 137 1.878 20.236 -8.111 1.00 0.94 S ATOM 742 CE MET A 137 0.861 21.470 -7.265 1.00 0.53 C ATOM 0 H MET A 137 3.992 18.861 -11.802 1.00 0.67 H new ATOM 0 HA MET A 137 2.488 18.177 -9.451 1.00 0.71 H new ATOM 0 HB2 MET A 137 2.980 20.414 -10.815 1.00 0.82 H new ATOM 0 HB3 MET A 137 1.608 19.937 -11.795 1.00 0.82 H new ATOM 0 HG2 MET A 137 0.867 21.425 -9.950 1.00 0.99 H new ATOM 0 HG3 MET A 137 0.165 19.831 -9.760 1.00 0.99 H new ATOM 0 HE1 MET A 137 1.416 21.884 -6.423 1.00 0.53 H new ATOM 0 HE2 MET A 137 0.606 22.270 -7.960 1.00 0.53 H new ATOM 0 HE3 MET A 137 -0.053 21.001 -6.901 1.00 0.53 H new ATOM 752 N LYS A 138 1.165 17.168 -12.258 1.00 0.76 N ATOM 753 CA LYS A 138 0.066 16.305 -12.779 1.00 0.82 C ATOM 754 C LYS A 138 -0.061 15.042 -11.922 1.00 0.72 C ATOM 755 O LYS A 138 -1.126 14.471 -11.793 1.00 0.84 O ATOM 756 CB LYS A 138 0.484 15.948 -14.206 1.00 0.99 C ATOM 757 CG LYS A 138 0.028 17.053 -15.161 1.00 1.57 C ATOM 758 CD LYS A 138 -1.495 17.013 -15.296 1.00 2.09 C ATOM 759 CE LYS A 138 -1.956 18.138 -16.225 1.00 2.74 C ATOM 760 NZ LYS A 138 -1.706 17.628 -17.601 1.00 3.43 N ATOM 0 H LYS A 138 1.843 17.476 -12.955 1.00 0.76 H new ATOM 0 HA LYS A 138 -0.902 16.805 -12.754 1.00 0.82 H new ATOM 0 HB2 LYS A 138 1.566 15.829 -14.261 1.00 0.99 H new ATOM 0 HB3 LYS A 138 0.043 14.995 -14.498 1.00 0.99 H new ATOM 0 HG2 LYS A 138 0.345 18.026 -14.786 1.00 1.57 H new ATOM 0 HG3 LYS A 138 0.494 16.920 -16.137 1.00 1.57 H new ATOM 0 HD2 LYS A 138 -1.810 16.048 -15.692 1.00 2.09 H new ATOM 0 HD3 LYS A 138 -1.960 17.123 -14.316 1.00 2.09 H new ATOM 0 HE2 LYS A 138 -3.011 18.367 -16.074 1.00 2.74 H new ATOM 0 HE3 LYS A 138 -1.401 19.057 -16.038 1.00 2.74 H new ATOM 0 HZ1 LYS A 138 -1.197 18.349 -18.151 1.00 3.43 H new ATOM 0 HZ2 LYS A 138 -1.132 16.762 -17.551 1.00 3.43 H new ATOM 0 HZ3 LYS A 138 -2.613 17.416 -18.063 1.00 3.43 H new ATOM 774 N ASP A 139 1.018 14.603 -11.334 1.00 0.75 N ATOM 775 CA ASP A 139 0.960 13.379 -10.484 1.00 0.78 C ATOM 776 C ASP A 139 0.743 13.764 -9.018 1.00 0.70 C ATOM 777 O ASP A 139 0.170 13.019 -8.248 1.00 0.81 O ATOM 778 CB ASP A 139 2.323 12.709 -10.662 1.00 0.97 C ATOM 779 CG ASP A 139 2.557 12.412 -12.145 1.00 1.16 C ATOM 780 OD1 ASP A 139 2.227 13.259 -12.958 1.00 1.66 O ATOM 781 OD2 ASP A 139 3.062 11.342 -12.442 1.00 1.69 O ATOM 0 H ASP A 139 1.938 15.039 -11.405 1.00 0.75 H new ATOM 0 HA ASP A 139 0.139 12.719 -10.766 1.00 0.78 H new ATOM 0 HB2 ASP A 139 3.112 13.358 -10.282 1.00 0.97 H new ATOM 0 HB3 ASP A 139 2.364 11.785 -10.084 1.00 0.97 H new ATOM 786 N GLY A 140 1.200 14.922 -8.626 1.00 0.64 N ATOM 787 CA GLY A 140 1.023 15.355 -7.211 1.00 0.62 C ATOM 788 C GLY A 140 -0.338 16.032 -7.044 1.00 0.57 C ATOM 789 O GLY A 140 -0.777 16.298 -5.942 1.00 0.65 O ATOM 0 H GLY A 140 1.689 15.587 -9.225 1.00 0.64 H new ATOM 0 HA2 GLY A 140 1.096 14.495 -6.546 1.00 0.62 H new ATOM 0 HA3 GLY A 140 1.819 16.044 -6.929 1.00 0.62 H new ATOM 793 N ASP A 141 -1.012 16.315 -8.125 1.00 0.56 N ATOM 794 CA ASP A 141 -2.344 16.977 -8.017 1.00 0.56 C ATOM 795 C ASP A 141 -3.053 16.981 -9.374 1.00 0.58 C ATOM 796 O ASP A 141 -3.177 18.005 -10.015 1.00 0.64 O ATOM 797 CB ASP A 141 -2.039 18.408 -7.573 1.00 0.60 C ATOM 798 CG ASP A 141 -3.075 18.854 -6.539 1.00 0.75 C ATOM 799 OD1 ASP A 141 -4.007 18.103 -6.301 1.00 1.23 O ATOM 800 OD2 ASP A 141 -2.919 19.939 -6.004 1.00 1.14 O ATOM 0 H ASP A 141 -0.700 16.117 -9.076 1.00 0.56 H new ATOM 0 HA ASP A 141 -3.002 16.460 -7.318 1.00 0.56 H new ATOM 0 HB2 ASP A 141 -1.037 18.462 -7.146 1.00 0.60 H new ATOM 0 HB3 ASP A 141 -2.056 19.078 -8.433 1.00 0.60 H new ATOM 805 N LYS A 142 -3.525 15.848 -9.815 1.00 0.62 N ATOM 806 CA LYS A 142 -4.230 15.800 -11.128 1.00 0.70 C ATOM 807 C LYS A 142 -5.405 16.782 -11.122 1.00 0.79 C ATOM 808 O LYS A 142 -5.921 17.157 -12.156 1.00 0.92 O ATOM 809 CB LYS A 142 -4.728 14.360 -11.259 1.00 0.79 C ATOM 810 CG LYS A 142 -4.596 13.903 -12.713 1.00 0.88 C ATOM 811 CD LYS A 142 -5.724 12.925 -13.045 1.00 1.37 C ATOM 812 CE LYS A 142 -5.809 11.855 -11.955 1.00 1.79 C ATOM 813 NZ LYS A 142 -6.055 10.580 -12.685 1.00 2.44 N ATOM 0 H LYS A 142 -3.454 14.956 -9.326 1.00 0.62 H new ATOM 0 HA LYS A 142 -3.584 16.079 -11.960 1.00 0.70 H new ATOM 0 HB2 LYS A 142 -4.151 13.704 -10.607 1.00 0.79 H new ATOM 0 HB3 LYS A 142 -5.768 14.293 -10.939 1.00 0.79 H new ATOM 0 HG2 LYS A 142 -4.638 14.763 -13.381 1.00 0.88 H new ATOM 0 HG3 LYS A 142 -3.629 13.425 -12.869 1.00 0.88 H new ATOM 0 HD2 LYS A 142 -6.672 13.458 -13.121 1.00 1.37 H new ATOM 0 HD3 LYS A 142 -5.542 12.459 -14.014 1.00 1.37 H new ATOM 0 HE2 LYS A 142 -4.887 11.807 -11.376 1.00 1.79 H new ATOM 0 HE3 LYS A 142 -6.615 12.070 -11.253 1.00 1.79 H new ATOM 0 HZ1 LYS A 142 -6.125 9.798 -12.003 1.00 2.44 H new ATOM 0 HZ2 LYS A 142 -6.943 10.653 -13.221 1.00 2.44 H new ATOM 0 HZ3 LYS A 142 -5.269 10.398 -13.341 1.00 2.44 H new ATOM 827 N ASN A 143 -5.827 17.203 -9.961 1.00 0.80 N ATOM 828 CA ASN A 143 -6.964 18.165 -9.877 1.00 0.95 C ATOM 829 C ASN A 143 -6.427 19.596 -9.793 1.00 0.92 C ATOM 830 O ASN A 143 -7.158 20.533 -9.538 1.00 1.08 O ATOM 831 CB ASN A 143 -7.700 17.788 -8.588 1.00 1.07 C ATOM 832 CG ASN A 143 -8.597 18.945 -8.142 1.00 1.36 C ATOM 833 OD1 ASN A 143 -8.231 19.685 -7.131 1.00 1.95 O flip ATOM 834 ND2 ASN A 143 -9.642 19.176 -8.718 1.00 1.70 N flip ATOM 0 H ASN A 143 -5.432 16.921 -9.064 1.00 0.80 H new ATOM 0 HA ASN A 143 -7.619 18.120 -10.747 1.00 0.95 H new ATOM 0 HB2 ASN A 143 -8.300 16.893 -8.750 1.00 1.07 H new ATOM 0 HB3 ASN A 143 -6.980 17.551 -7.804 1.00 1.07 H new ATOM 0 HD21 ASN A 143 -9.928 18.597 -9.508 1.00 1.70 H new ATOM 0 HD22 ASN A 143 -10.233 19.948 -8.411 1.00 1.70 H new ATOM 841 N ASN A 144 -5.150 19.771 -9.999 1.00 0.86 N ATOM 842 CA ASN A 144 -4.567 21.139 -9.922 1.00 0.93 C ATOM 843 C ASN A 144 -4.885 21.757 -8.559 1.00 1.03 C ATOM 844 O ASN A 144 -4.145 21.599 -7.608 1.00 1.71 O ATOM 845 CB ASN A 144 -5.241 21.928 -11.044 1.00 1.08 C ATOM 846 CG ASN A 144 -4.738 21.422 -12.398 1.00 1.49 C ATOM 847 OD1 ASN A 144 -5.164 20.386 -12.868 1.00 2.18 O ATOM 848 ND2 ASN A 144 -3.843 22.114 -13.048 1.00 1.97 N ATOM 0 H ASN A 144 -4.487 19.027 -10.217 1.00 0.86 H new ATOM 0 HA ASN A 144 -3.483 21.137 -10.031 1.00 0.93 H new ATOM 0 HB2 ASN A 144 -6.324 21.817 -10.982 1.00 1.08 H new ATOM 0 HB3 ASN A 144 -5.023 22.991 -10.937 1.00 1.08 H new ATOM 0 HD21 ASN A 144 -3.501 21.785 -13.951 1.00 1.97 H new ATOM 0 HD22 ASN A 144 -3.485 22.984 -12.653 1.00 1.97 H new ATOM 855 N ASP A 145 -5.986 22.451 -8.451 1.00 0.88 N ATOM 856 CA ASP A 145 -6.358 23.071 -7.143 1.00 0.92 C ATOM 857 C ASP A 145 -5.378 24.188 -6.763 1.00 0.91 C ATOM 858 O ASP A 145 -5.775 25.298 -6.467 1.00 1.07 O ATOM 859 CB ASP A 145 -6.282 21.927 -6.130 1.00 0.93 C ATOM 860 CG ASP A 145 -7.529 21.945 -5.243 1.00 1.40 C ATOM 861 OD1 ASP A 145 -8.370 22.804 -5.455 1.00 1.89 O ATOM 862 OD2 ASP A 145 -7.622 21.101 -4.368 1.00 2.06 O ATOM 0 H ASP A 145 -6.645 22.616 -9.212 1.00 0.88 H new ATOM 0 HA ASP A 145 -7.346 23.529 -7.180 1.00 0.92 H new ATOM 0 HB2 ASP A 145 -6.206 20.972 -6.650 1.00 0.93 H new ATOM 0 HB3 ASP A 145 -5.386 22.029 -5.518 1.00 0.93 H new ATOM 867 N GLY A 146 -4.103 23.903 -6.751 1.00 0.84 N ATOM 868 CA GLY A 146 -3.107 24.944 -6.372 1.00 0.92 C ATOM 869 C GLY A 146 -2.455 24.541 -5.049 1.00 0.66 C ATOM 870 O GLY A 146 -1.831 25.340 -4.379 1.00 0.74 O ATOM 0 H GLY A 146 -3.709 22.992 -6.988 1.00 0.84 H new ATOM 0 HA2 GLY A 146 -2.351 25.045 -7.151 1.00 0.92 H new ATOM 0 HA3 GLY A 146 -3.594 25.914 -6.273 1.00 0.92 H new ATOM 874 N ARG A 147 -2.598 23.299 -4.674 1.00 0.56 N ATOM 875 CA ARG A 147 -1.994 22.818 -3.400 1.00 0.54 C ATOM 876 C ARG A 147 -1.942 21.287 -3.400 1.00 0.46 C ATOM 877 O ARG A 147 -2.923 20.624 -3.678 1.00 0.45 O ATOM 878 CB ARG A 147 -2.930 23.324 -2.302 1.00 0.77 C ATOM 879 CG ARG A 147 -4.373 22.969 -2.661 1.00 1.39 C ATOM 880 CD ARG A 147 -5.253 23.079 -1.414 1.00 1.79 C ATOM 881 NE ARG A 147 -6.642 23.206 -1.937 1.00 2.55 N ATOM 882 CZ ARG A 147 -7.594 23.661 -1.167 1.00 2.87 C ATOM 883 NH1 ARG A 147 -7.335 23.998 0.068 1.00 3.10 N ATOM 884 NH2 ARG A 147 -8.807 23.777 -1.633 1.00 3.37 N ATOM 0 H ARG A 147 -3.111 22.592 -5.200 1.00 0.56 H new ATOM 0 HA ARG A 147 -0.974 23.176 -3.258 1.00 0.54 H new ATOM 0 HB2 ARG A 147 -2.661 22.877 -1.345 1.00 0.77 H new ATOM 0 HB3 ARG A 147 -2.827 24.403 -2.190 1.00 0.77 H new ATOM 0 HG2 ARG A 147 -4.741 23.639 -3.438 1.00 1.39 H new ATOM 0 HG3 ARG A 147 -4.420 21.957 -3.064 1.00 1.39 H new ATOM 0 HD2 ARG A 147 -5.149 22.200 -0.778 1.00 1.79 H new ATOM 0 HD3 ARG A 147 -4.977 23.944 -0.810 1.00 1.79 H new ATOM 0 HE ARG A 147 -6.850 22.937 -2.899 1.00 2.55 H new ATOM 0 HH11 ARG A 147 -6.387 23.906 0.434 1.00 3.10 H new ATOM 0 HH12 ARG A 147 -8.081 24.353 0.667 1.00 3.10 H new ATOM 0 HH21 ARG A 147 -9.010 23.513 -2.597 1.00 3.37 H new ATOM 0 HH22 ARG A 147 -9.552 24.132 -1.033 1.00 3.37 H new ATOM 898 N ILE A 148 -0.808 20.720 -3.099 1.00 0.49 N ATOM 899 CA ILE A 148 -0.699 19.232 -3.091 1.00 0.44 C ATOM 900 C ILE A 148 -0.978 18.684 -1.689 1.00 0.46 C ATOM 901 O ILE A 148 -0.253 18.949 -0.751 1.00 0.63 O ATOM 902 CB ILE A 148 0.742 18.943 -3.508 1.00 0.46 C ATOM 903 CG1 ILE A 148 1.001 19.545 -4.890 1.00 0.56 C ATOM 904 CG2 ILE A 148 0.967 17.432 -3.563 1.00 0.47 C ATOM 905 CD1 ILE A 148 2.410 19.175 -5.355 1.00 0.63 C ATOM 0 H ILE A 148 0.048 21.220 -2.858 1.00 0.49 H new ATOM 0 HA ILE A 148 -1.420 18.760 -3.759 1.00 0.44 H new ATOM 0 HB ILE A 148 1.425 19.385 -2.782 1.00 0.46 H new ATOM 0 HG12 ILE A 148 0.263 19.176 -5.603 1.00 0.56 H new ATOM 0 HG13 ILE A 148 0.893 20.629 -4.852 1.00 0.56 H new ATOM 0 HG21 ILE A 148 1.996 17.228 -3.861 1.00 0.47 H new ATOM 0 HG22 ILE A 148 0.781 17.000 -2.579 1.00 0.47 H new ATOM 0 HG23 ILE A 148 0.285 16.989 -4.288 1.00 0.47 H new ATOM 0 HD11 ILE A 148 2.593 19.605 -6.340 1.00 0.63 H new ATOM 0 HD12 ILE A 148 3.141 19.566 -4.647 1.00 0.63 H new ATOM 0 HD13 ILE A 148 2.502 18.090 -5.410 1.00 0.63 H new ATOM 917 N ASP A 149 -2.026 17.919 -1.541 1.00 0.48 N ATOM 918 CA ASP A 149 -2.356 17.352 -0.201 1.00 0.53 C ATOM 919 C ASP A 149 -1.802 15.930 -0.076 1.00 0.53 C ATOM 920 O ASP A 149 -1.399 15.323 -1.049 1.00 0.63 O ATOM 921 CB ASP A 149 -3.884 17.339 -0.146 1.00 0.58 C ATOM 922 CG ASP A 149 -4.343 16.742 1.186 1.00 1.05 C ATOM 923 OD1 ASP A 149 -4.239 15.536 1.339 1.00 1.65 O ATOM 924 OD2 ASP A 149 -4.792 17.501 2.029 1.00 1.84 O ATOM 0 H ASP A 149 -2.668 17.662 -2.290 1.00 0.48 H new ATOM 0 HA ASP A 149 -1.922 17.933 0.613 1.00 0.53 H new ATOM 0 HB2 ASP A 149 -4.271 18.352 -0.255 1.00 0.58 H new ATOM 0 HB3 ASP A 149 -4.283 16.755 -0.975 1.00 0.58 H new ATOM 929 N TYR A 150 -1.779 15.394 1.114 1.00 0.58 N ATOM 930 CA TYR A 150 -1.252 14.011 1.300 1.00 0.60 C ATOM 931 C TYR A 150 -1.986 13.035 0.376 1.00 0.59 C ATOM 932 O TYR A 150 -1.379 12.221 -0.291 1.00 0.63 O ATOM 933 CB TYR A 150 -1.530 13.674 2.765 1.00 0.73 C ATOM 934 CG TYR A 150 -1.310 12.197 2.991 1.00 0.72 C ATOM 935 CD1 TYR A 150 -0.164 11.575 2.483 1.00 1.22 C ATOM 936 CD2 TYR A 150 -2.253 11.450 3.707 1.00 1.15 C ATOM 937 CE1 TYR A 150 0.040 10.206 2.690 1.00 1.56 C ATOM 938 CE2 TYR A 150 -2.049 10.081 3.914 1.00 1.43 C ATOM 939 CZ TYR A 150 -0.903 9.459 3.406 1.00 1.48 C ATOM 940 OH TYR A 150 -0.702 8.109 3.610 1.00 1.96 O ATOM 0 H TYR A 150 -2.102 15.853 1.965 1.00 0.58 H new ATOM 0 HA TYR A 150 -0.191 13.938 1.059 1.00 0.60 H new ATOM 0 HB2 TYR A 150 -0.874 14.254 3.414 1.00 0.73 H new ATOM 0 HB3 TYR A 150 -2.554 13.944 3.024 1.00 0.73 H new ATOM 0 HD1 TYR A 150 0.563 12.152 1.931 1.00 1.22 H new ATOM 0 HD2 TYR A 150 -3.137 11.930 4.099 1.00 1.15 H new ATOM 0 HE1 TYR A 150 0.924 9.726 2.298 1.00 1.56 H new ATOM 0 HE2 TYR A 150 -2.776 9.504 4.466 1.00 1.43 H new ATOM 0 HH TYR A 150 0.148 7.972 4.078 1.00 1.96 H new ATOM 950 N ASP A 151 -3.289 13.109 0.333 1.00 0.64 N ATOM 951 CA ASP A 151 -4.059 12.183 -0.546 1.00 0.70 C ATOM 952 C ASP A 151 -3.554 12.279 -1.989 1.00 0.63 C ATOM 953 O ASP A 151 -3.469 11.293 -2.694 1.00 0.77 O ATOM 954 CB ASP A 151 -5.509 12.659 -0.450 1.00 0.79 C ATOM 955 CG ASP A 151 -6.272 11.775 0.538 1.00 1.24 C ATOM 956 OD1 ASP A 151 -5.654 11.302 1.478 1.00 1.90 O ATOM 957 OD2 ASP A 151 -7.460 11.586 0.338 1.00 1.83 O ATOM 0 H ASP A 151 -3.853 13.770 0.868 1.00 0.64 H new ATOM 0 HA ASP A 151 -3.952 11.141 -0.243 1.00 0.70 H new ATOM 0 HB2 ASP A 151 -5.541 13.699 -0.124 1.00 0.79 H new ATOM 0 HB3 ASP A 151 -5.982 12.618 -1.431 1.00 0.79 H new ATOM 962 N GLU A 152 -3.218 13.459 -2.433 1.00 0.54 N ATOM 963 CA GLU A 152 -2.718 13.615 -3.830 1.00 0.56 C ATOM 964 C GLU A 152 -1.207 13.374 -3.883 1.00 0.52 C ATOM 965 O GLU A 152 -0.649 13.094 -4.925 1.00 0.65 O ATOM 966 CB GLU A 152 -3.046 15.060 -4.210 1.00 0.60 C ATOM 967 CG GLU A 152 -4.523 15.165 -4.596 1.00 0.77 C ATOM 968 CD GLU A 152 -5.029 16.577 -4.298 1.00 0.72 C ATOM 969 OE1 GLU A 152 -4.404 17.253 -3.497 1.00 1.40 O ATOM 970 OE2 GLU A 152 -6.033 16.959 -4.877 1.00 1.17 O ATOM 0 H GLU A 152 -3.268 14.321 -1.890 1.00 0.54 H new ATOM 0 HA GLU A 152 -3.176 12.900 -4.514 1.00 0.56 H new ATOM 0 HB2 GLU A 152 -2.830 15.725 -3.374 1.00 0.60 H new ATOM 0 HB3 GLU A 152 -2.418 15.380 -5.042 1.00 0.60 H new ATOM 0 HG2 GLU A 152 -4.650 14.937 -5.654 1.00 0.77 H new ATOM 0 HG3 GLU A 152 -5.108 14.433 -4.040 1.00 0.77 H new ATOM 977 N PHE A 153 -0.539 13.483 -2.766 1.00 0.46 N ATOM 978 CA PHE A 153 0.936 13.260 -2.756 1.00 0.46 C ATOM 979 C PHE A 153 1.251 11.772 -2.934 1.00 0.50 C ATOM 980 O PHE A 153 2.366 11.397 -3.238 1.00 0.64 O ATOM 981 CB PHE A 153 1.402 13.745 -1.383 1.00 0.49 C ATOM 982 CG PHE A 153 2.892 13.534 -1.254 1.00 0.48 C ATOM 983 CD1 PHE A 153 3.772 14.227 -2.095 1.00 0.62 C ATOM 984 CD2 PHE A 153 3.393 12.646 -0.295 1.00 0.52 C ATOM 985 CE1 PHE A 153 5.153 14.031 -1.976 1.00 0.73 C ATOM 986 CE2 PHE A 153 4.774 12.451 -0.176 1.00 0.61 C ATOM 987 CZ PHE A 153 5.654 13.143 -1.016 1.00 0.68 C ATOM 0 H PHE A 153 -0.950 13.716 -1.862 1.00 0.46 H new ATOM 0 HA PHE A 153 1.437 13.789 -3.567 1.00 0.46 H new ATOM 0 HB2 PHE A 153 1.161 14.801 -1.257 1.00 0.49 H new ATOM 0 HB3 PHE A 153 0.878 13.202 -0.596 1.00 0.49 H new ATOM 0 HD1 PHE A 153 3.385 14.912 -2.835 1.00 0.62 H new ATOM 0 HD2 PHE A 153 2.714 12.111 0.353 1.00 0.52 H new ATOM 0 HE1 PHE A 153 5.832 14.565 -2.625 1.00 0.73 H new ATOM 0 HE2 PHE A 153 5.161 11.766 0.564 1.00 0.61 H new ATOM 0 HZ PHE A 153 6.719 12.992 -0.924 1.00 0.68 H new ATOM 997 N LEU A 154 0.279 10.921 -2.746 1.00 0.53 N ATOM 998 CA LEU A 154 0.527 9.459 -2.904 1.00 0.62 C ATOM 999 C LEU A 154 0.697 9.106 -4.384 1.00 0.65 C ATOM 1000 O LEU A 154 1.772 8.758 -4.830 1.00 0.83 O ATOM 1001 CB LEU A 154 -0.717 8.782 -2.330 1.00 0.75 C ATOM 1002 CG LEU A 154 -0.339 8.015 -1.063 1.00 0.91 C ATOM 1003 CD1 LEU A 154 0.839 7.085 -1.362 1.00 1.65 C ATOM 1004 CD2 LEU A 154 0.062 9.007 0.032 1.00 1.20 C ATOM 0 H LEU A 154 -0.675 11.174 -2.490 1.00 0.53 H new ATOM 0 HA LEU A 154 1.437 9.138 -2.396 1.00 0.62 H new ATOM 0 HB2 LEU A 154 -1.478 9.528 -2.103 1.00 0.75 H new ATOM 0 HB3 LEU A 154 -1.146 8.102 -3.066 1.00 0.75 H new ATOM 0 HG LEU A 154 -1.192 7.426 -0.727 1.00 0.91 H new ATOM 0 HD11 LEU A 154 1.109 6.538 -0.459 1.00 1.65 H new ATOM 0 HD12 LEU A 154 0.556 6.379 -2.143 1.00 1.65 H new ATOM 0 HD13 LEU A 154 1.692 7.675 -1.698 1.00 1.65 H new ATOM 0 HD21 LEU A 154 0.332 8.461 0.936 1.00 1.20 H new ATOM 0 HD22 LEU A 154 0.915 9.596 -0.305 1.00 1.20 H new ATOM 0 HD23 LEU A 154 -0.775 9.671 0.245 1.00 1.20 H new ATOM 1016 N GLU A 155 -0.356 9.194 -5.149 1.00 0.69 N ATOM 1017 CA GLU A 155 -0.253 8.864 -6.600 1.00 0.81 C ATOM 1018 C GLU A 155 0.959 9.572 -7.215 1.00 0.76 C ATOM 1019 O GLU A 155 1.482 9.160 -8.232 1.00 0.90 O ATOM 1020 CB GLU A 155 -1.551 9.387 -7.217 1.00 0.97 C ATOM 1021 CG GLU A 155 -1.530 9.160 -8.729 1.00 1.41 C ATOM 1022 CD GLU A 155 -2.856 9.624 -9.335 1.00 2.06 C ATOM 1023 OE1 GLU A 155 -3.813 8.870 -9.265 1.00 2.57 O ATOM 1024 OE2 GLU A 155 -2.893 10.725 -9.858 1.00 2.77 O ATOM 0 H GLU A 155 -1.283 9.480 -4.833 1.00 0.69 H new ATOM 0 HA GLU A 155 -0.121 7.796 -6.775 1.00 0.81 H new ATOM 0 HB2 GLU A 155 -2.407 8.877 -6.775 1.00 0.97 H new ATOM 0 HB3 GLU A 155 -1.666 10.449 -7.000 1.00 0.97 H new ATOM 0 HG2 GLU A 155 -0.702 9.708 -9.178 1.00 1.41 H new ATOM 0 HG3 GLU A 155 -1.369 8.104 -8.946 1.00 1.41 H new ATOM 1031 N PHE A 156 1.407 10.635 -6.604 1.00 0.66 N ATOM 1032 CA PHE A 156 2.583 11.375 -7.147 1.00 0.77 C ATOM 1033 C PHE A 156 3.741 10.412 -7.429 1.00 0.71 C ATOM 1034 O PHE A 156 4.129 10.209 -8.562 1.00 0.88 O ATOM 1035 CB PHE A 156 2.968 12.363 -6.045 1.00 0.84 C ATOM 1036 CG PHE A 156 4.099 13.241 -6.525 1.00 1.01 C ATOM 1037 CD1 PHE A 156 3.995 13.909 -7.751 1.00 1.09 C ATOM 1038 CD2 PHE A 156 5.252 13.387 -5.743 1.00 1.49 C ATOM 1039 CE1 PHE A 156 5.044 14.723 -8.196 1.00 1.31 C ATOM 1040 CE2 PHE A 156 6.300 14.201 -6.188 1.00 1.72 C ATOM 1041 CZ PHE A 156 6.197 14.869 -7.414 1.00 1.53 C ATOM 0 H PHE A 156 1.008 11.024 -5.750 1.00 0.66 H new ATOM 0 HA PHE A 156 2.354 11.875 -8.088 1.00 0.77 H new ATOM 0 HB2 PHE A 156 2.108 12.976 -5.775 1.00 0.84 H new ATOM 0 HB3 PHE A 156 3.269 11.823 -5.147 1.00 0.84 H new ATOM 0 HD1 PHE A 156 3.106 13.797 -8.354 1.00 1.09 H new ATOM 0 HD2 PHE A 156 5.332 12.872 -4.797 1.00 1.49 H new ATOM 0 HE1 PHE A 156 4.964 15.238 -9.142 1.00 1.31 H new ATOM 0 HE2 PHE A 156 7.189 14.314 -5.585 1.00 1.72 H new ATOM 0 HZ PHE A 156 7.006 15.497 -7.757 1.00 1.53 H new ATOM 1051 N MET A 157 4.300 9.824 -6.407 1.00 0.61 N ATOM 1052 CA MET A 157 5.437 8.883 -6.621 1.00 0.69 C ATOM 1053 C MET A 157 4.942 7.434 -6.617 1.00 0.83 C ATOM 1054 O MET A 157 5.698 6.510 -6.842 1.00 1.17 O ATOM 1055 CB MET A 157 6.388 9.137 -5.449 1.00 0.84 C ATOM 1056 CG MET A 157 5.849 8.461 -4.185 1.00 0.92 C ATOM 1057 SD MET A 157 7.013 8.715 -2.822 1.00 1.56 S ATOM 1058 CE MET A 157 6.946 10.524 -2.799 1.00 0.90 C ATOM 0 H MET A 157 4.020 9.954 -5.435 1.00 0.61 H new ATOM 0 HA MET A 157 5.926 9.040 -7.582 1.00 0.69 H new ATOM 0 HB2 MET A 157 7.380 8.751 -5.684 1.00 0.84 H new ATOM 0 HB3 MET A 157 6.495 10.209 -5.282 1.00 0.84 H new ATOM 0 HG2 MET A 157 4.874 8.874 -3.926 1.00 0.92 H new ATOM 0 HG3 MET A 157 5.707 7.395 -4.362 1.00 0.92 H new ATOM 0 HE1 MET A 157 7.212 10.885 -1.806 1.00 0.90 H new ATOM 0 HE2 MET A 157 7.648 10.923 -3.531 1.00 0.90 H new ATOM 0 HE3 MET A 157 5.937 10.854 -3.047 1.00 0.90 H new ATOM 1068 N LYS A 158 3.679 7.226 -6.361 1.00 0.86 N ATOM 1069 CA LYS A 158 3.143 5.835 -6.343 1.00 1.07 C ATOM 1070 C LYS A 158 3.401 5.151 -7.688 1.00 1.36 C ATOM 1071 O LYS A 158 2.544 5.107 -8.548 1.00 1.73 O ATOM 1072 CB LYS A 158 1.643 5.992 -6.098 1.00 1.28 C ATOM 1073 CG LYS A 158 1.257 5.251 -4.816 1.00 1.66 C ATOM 1074 CD LYS A 158 -0.233 5.457 -4.536 1.00 2.24 C ATOM 1075 CE LYS A 158 -0.745 4.330 -3.636 1.00 2.85 C ATOM 1076 NZ LYS A 158 -2.045 3.920 -4.237 1.00 3.52 N ATOM 0 H LYS A 158 2.996 7.958 -6.164 1.00 0.86 H new ATOM 0 HA LYS A 158 3.617 5.219 -5.579 1.00 1.07 H new ATOM 0 HB2 LYS A 158 1.386 7.048 -6.012 1.00 1.28 H new ATOM 0 HB3 LYS A 158 1.082 5.595 -6.944 1.00 1.28 H new ATOM 0 HG2 LYS A 158 1.475 4.188 -4.918 1.00 1.66 H new ATOM 0 HG3 LYS A 158 1.850 5.619 -3.978 1.00 1.66 H new ATOM 0 HD2 LYS A 158 -0.393 6.422 -4.055 1.00 2.24 H new ATOM 0 HD3 LYS A 158 -0.791 5.471 -5.472 1.00 2.24 H new ATOM 0 HE2 LYS A 158 -0.043 3.497 -3.608 1.00 2.85 H new ATOM 0 HE3 LYS A 158 -0.875 4.672 -2.609 1.00 2.85 H new ATOM 0 HZ1 LYS A 158 -2.459 3.149 -3.675 1.00 3.52 H new ATOM 0 HZ2 LYS A 158 -2.695 4.732 -4.244 1.00 3.52 H new ATOM 0 HZ3 LYS A 158 -1.889 3.593 -5.212 1.00 3.52 H new ATOM 1090 N GLY A 159 4.577 4.619 -7.875 1.00 1.73 N ATOM 1091 CA GLY A 159 4.892 3.939 -9.163 1.00 2.35 C ATOM 1092 C GLY A 159 6.379 4.111 -9.475 1.00 2.13 C ATOM 1093 O GLY A 159 6.946 3.384 -10.266 1.00 2.59 O ATOM 0 H GLY A 159 5.334 4.626 -7.191 1.00 1.73 H new ATOM 0 HA2 GLY A 159 4.642 2.880 -9.099 1.00 2.35 H new ATOM 0 HA3 GLY A 159 4.289 4.361 -9.967 1.00 2.35 H new ATOM 1097 N VAL A 160 7.014 5.068 -8.856 1.00 1.87 N ATOM 1098 CA VAL A 160 8.466 5.289 -9.113 1.00 1.87 C ATOM 1099 C VAL A 160 9.285 4.129 -8.542 1.00 2.39 C ATOM 1100 O VAL A 160 10.429 3.929 -8.899 1.00 3.11 O ATOM 1101 CB VAL A 160 8.803 6.592 -8.387 1.00 1.68 C ATOM 1102 CG1 VAL A 160 7.811 7.681 -8.800 1.00 1.89 C ATOM 1103 CG2 VAL A 160 8.714 6.372 -6.875 1.00 1.76 C ATOM 0 H VAL A 160 6.590 5.707 -8.183 1.00 1.87 H new ATOM 0 HA VAL A 160 8.694 5.345 -10.177 1.00 1.87 H new ATOM 0 HB VAL A 160 9.814 6.902 -8.652 1.00 1.68 H new ATOM 0 HG11 VAL A 160 8.053 8.609 -8.282 1.00 1.89 H new ATOM 0 HG12 VAL A 160 7.873 7.840 -9.877 1.00 1.89 H new ATOM 0 HG13 VAL A 160 6.800 7.371 -8.536 1.00 1.89 H new ATOM 0 HG21 VAL A 160 8.954 7.301 -6.357 1.00 1.76 H new ATOM 0 HG22 VAL A 160 7.703 6.061 -6.611 1.00 1.76 H new ATOM 0 HG23 VAL A 160 9.421 5.598 -6.578 1.00 1.76 H new ATOM 1113 N GLU A 161 8.708 3.363 -7.657 1.00 2.52 N ATOM 1114 CA GLU A 161 9.454 2.216 -7.064 1.00 3.28 C ATOM 1115 C GLU A 161 8.538 1.414 -6.136 1.00 3.90 C ATOM 1116 O GLU A 161 7.380 1.246 -6.480 1.00 4.34 O ATOM 1117 CB GLU A 161 10.596 2.852 -6.271 1.00 3.49 C ATOM 1118 CG GLU A 161 11.639 1.785 -5.935 1.00 4.11 C ATOM 1119 CD GLU A 161 12.053 1.053 -7.213 1.00 4.29 C ATOM 1120 OE1 GLU A 161 12.132 1.701 -8.244 1.00 4.60 O ATOM 1121 OE2 GLU A 161 12.284 -0.143 -7.139 1.00 4.56 O ATOM 1122 OXT GLU A 161 9.011 0.983 -5.097 1.00 4.37 O ATOM 0 H GLU A 161 7.753 3.481 -7.319 1.00 2.52 H new ATOM 0 HA GLU A 161 9.821 1.526 -7.823 1.00 3.28 H new ATOM 0 HB2 GLU A 161 11.054 3.653 -6.851 1.00 3.49 H new ATOM 0 HB3 GLU A 161 10.211 3.301 -5.355 1.00 3.49 H new ATOM 0 HG2 GLU A 161 12.510 2.247 -5.470 1.00 4.11 H new ATOM 0 HG3 GLU A 161 11.231 1.077 -5.214 1.00 4.11 H new TER 1129 GLU A 161 HETATM 1130 CA CA A 162 2.957 25.115 0.723 1.00 0.75 CA HETATM 1131 CA CA A 2 -5.302 19.585 -4.771 1.00 0.75 CA HETATM 1132 O1 KDH A 1 11.214 9.098 -10.761 1.00 2.83 O HETATM 1133 C3 KDH A 1 10.224 9.751 -10.092 1.00 2.40 C HETATM 1134 C6 KDH A 1 9.010 10.082 -10.790 1.00 3.09 C HETATM 1135 O7 KDH A 1 8.870 9.736 -12.106 1.00 4.04 O HETATM 1136 C9 KDH A 1 7.933 10.777 -10.118 1.00 2.99 C HETATM 1137 O10 KDH A 1 6.807 11.091 -10.820 1.00 3.91 O HETATM 1138 C12 KDH A 1 8.068 11.125 -8.723 1.00 2.07 C HETATM 1139 C14 KDH A 1 9.301 10.825 -8.025 1.00 1.26 C HETATM 1140 C15 KDH A 1 9.408 11.239 -6.689 1.00 0.94 C HETATM 1141 C20 KDH A 1 10.873 10.943 -4.666 1.00 2.17 C HETATM 1142 C21 KDH A 1 11.639 10.068 -3.812 1.00 3.11 C HETATM 1143 C24 KDH A 1 12.241 10.593 -2.617 1.00 3.89 C HETATM 1144 C26 KDH A 1 12.023 11.957 -2.217 1.00 3.84 C HETATM 1145 C29 KDH A 1 11.219 12.828 -3.049 1.00 3.01 C HETATM 1146 C31 KDH A 1 10.593 12.317 -4.246 1.00 2.10 C HETATM 1147 C33 KDH A 1 9.608 12.775 -6.537 1.00 0.94 C HETATM 1148 C36 KDH A 1 10.565 14.202 -8.192 1.00 1.65 C HETATM 1149 C38 KDH A 1 11.141 13.946 -9.433 1.00 1.49 C HETATM 1150 C39 KDH A 1 12.320 14.690 -9.835 1.00 1.87 C HETATM 1151 C41 KDH A 1 10.566 12.952 -10.306 1.00 2.05 C HETATM 1152 C01 KDH A 1 9.694 13.127 -5.019 1.00 1.46 C HETATM 1153 O01 KDH A 1 10.415 10.477 -5.896 1.00 1.58 O HETATM 1154 O02 KDH A 1 13.032 9.788 -1.848 1.00 4.80 O HETATM 1155 O03 KDH A 1 11.054 14.134 -2.697 1.00 3.24 O HETATM 1156 C4 KDH A 1 10.374 10.112 -8.703 1.00 1.50 C HETATM 1157 O35 KDH A 1 10.784 13.239 -7.244 1.00 1.29 O HETATM 1158 O37 KDH A 1 9.912 15.234 -8.000 1.00 2.52 O HETATM 1159 C43 KDH A 1 11.133 12.734 -11.612 1.00 2.26 C HETATM 1160 O44 KDH A 1 10.590 11.831 -12.487 1.00 3.22 O HETATM 1161 C46 KDH A 1 12.301 13.478 -12.020 1.00 2.00 C HETATM 1162 O47 KDH A 1 12.854 13.258 -13.246 1.00 2.49 O HETATM 1163 C49 KDH A 1 12.895 14.463 -11.136 1.00 2.11 C HETATM 1164 O50 KDH A 1 13.992 15.155 -11.565 1.00 3.03 O HETATM 0 HO50 KDH A 1 14.196 14.904 -12.490 1.00 3.03 H new HETATM 0 HO47 KDH A 1 13.781 12.958 -13.138 1.00 2.49 H new HETATM 0 HO44 KDH A 1 11.263 11.575 -13.152 1.00 3.22 H new HETATM 0 HO10 KDH A 1 6.174 11.554 -10.233 1.00 3.91 H new HETATM 0 HO03 KDH A 1 11.541 14.706 -3.326 1.00 3.24 H new HETATM 0 HO02 KDH A 1 13.363 10.295 -1.077 1.00 4.80 H new HETATM 0 H01A KDH A 1 8.696 13.044 -4.588 1.00 1.46 H new HETATM 0 HO7 KDH A 1 9.409 10.337 -12.661 1.00 4.04 H new HETATM 0 HO1 KDH A 1 10.939 8.950 -11.690 1.00 2.83 H new HETATM 0 H41 KDH A 1 9.706 12.368 -9.979 1.00 2.05 H new HETATM 0 H4 KDH A 1 11.285 9.852 -8.165 1.00 1.50 H new HETATM 0 H39 KDH A 1 12.768 15.416 -9.157 1.00 1.87 H new HETATM 0 H33 KDH A 1 8.755 13.285 -6.984 1.00 0.94 H new HETATM 0 H26 KDH A 1 12.461 12.333 -1.292 1.00 3.84 H new HETATM 0 H21 KDH A 1 11.760 9.016 -4.071 1.00 3.11 H new HETATM 0 H15 KDH A 1 8.436 10.998 -6.258 1.00 0.94 H new HETATM 0 H12 KDH A 1 7.246 11.611 -8.198 1.00 2.07 H new HETATM 0 H01 KDH A 1 9.998 14.169 -4.922 1.00 1.46 H new