USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 765 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 Single : A 96 TYR OH : rot -79:sc= -1.4 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 105 CYS SG : rot 160:sc= -3.19! USER MOD Single : A 107 ASN : amide:sc= -4.16! C(o=-4.2!,f=-4.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00432) USER MOD Single : A 126 MET CE :methyl -124:sc= -0.139 (180deg=-0.887) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 TYR OH : rot -79:sc= 0.00457 USER MOD Single : A 136 SER OG : rot 160:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0.235 USER MOD Single : A 144 SER OG : rot -121:sc= 1.35 USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 LYS NZ :NH3+ -164:sc= -0.796 (180deg=-1.18) USER MOD Single : A 150 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.023) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 157 SER OG : rot -83:sc= 0.72 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 167 THR OG1 : rot 114:sc= 1.1 USER MOD Single : A 168 CYS SG : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.26) USER MOD Single : A 181 GLN : amide:sc= -0.872 X(o=-0.87,f=-0.8) USER MOD Single : A 183 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 89 9.597 10.331 12.596 1.00 0.95 N ATOM 2 CA ALA A 89 9.281 11.069 11.335 1.00 0.90 C ATOM 3 C ALA A 89 8.232 10.297 10.540 1.00 0.67 C ATOM 4 O ALA A 89 7.133 10.769 10.318 1.00 0.70 O ATOM 5 CB ALA A 89 10.600 11.137 10.564 1.00 0.97 C ATOM 0 HA ALA A 89 8.878 12.064 11.524 1.00 0.90 H new ATOM 0 HB1 ALA A 89 10.445 11.667 9.624 1.00 0.97 H new ATOM 0 HB2 ALA A 89 11.343 11.666 11.160 1.00 0.97 H new ATOM 0 HB3 ALA A 89 10.953 10.127 10.357 1.00 0.97 H new ATOM 11 N ALA A 90 8.560 9.099 10.136 1.00 0.54 N ATOM 12 CA ALA A 90 7.581 8.263 9.378 1.00 0.38 C ATOM 13 C ALA A 90 6.420 7.931 10.312 1.00 0.35 C ATOM 14 O ALA A 90 6.422 8.377 11.443 1.00 0.43 O ATOM 15 CB ALA A 90 8.361 7.002 8.986 1.00 0.42 C ATOM 0 H ALA A 90 9.467 8.661 10.298 1.00 0.54 H new ATOM 0 HA ALA A 90 7.169 8.753 8.496 1.00 0.38 H new ATOM 0 HB1 ALA A 90 7.711 6.332 8.423 1.00 0.42 H new ATOM 0 HB2 ALA A 90 9.216 7.280 8.370 1.00 0.42 H new ATOM 0 HB3 ALA A 90 8.711 6.496 9.886 1.00 0.42 H new ATOM 21 N PRO A 91 5.455 7.173 9.844 1.00 0.38 N ATOM 22 CA PRO A 91 4.308 6.834 10.717 1.00 0.46 C ATOM 23 C PRO A 91 4.792 6.047 11.941 1.00 0.35 C ATOM 24 O PRO A 91 5.212 4.915 11.812 1.00 0.38 O ATOM 25 CB PRO A 91 3.412 5.990 9.818 1.00 0.65 C ATOM 26 CG PRO A 91 4.331 5.449 8.780 1.00 0.65 C ATOM 27 CD PRO A 91 5.315 6.552 8.516 1.00 0.50 C ATOM 0 HA PRO A 91 3.786 7.705 11.113 1.00 0.46 H new ATOM 0 HB2 PRO A 91 2.930 5.189 10.378 1.00 0.65 H new ATOM 0 HB3 PRO A 91 2.619 6.590 9.372 1.00 0.65 H new ATOM 0 HG2 PRO A 91 4.834 4.547 9.130 1.00 0.65 H new ATOM 0 HG3 PRO A 91 3.788 5.180 7.874 1.00 0.65 H new ATOM 0 HD2 PRO A 91 6.265 6.169 8.144 1.00 0.50 H new ATOM 0 HD3 PRO A 91 4.944 7.259 7.774 1.00 0.50 H new ATOM 35 N PRO A 92 4.726 6.669 13.102 1.00 0.40 N ATOM 36 CA PRO A 92 5.178 5.987 14.337 1.00 0.44 C ATOM 37 C PRO A 92 4.334 4.735 14.579 1.00 0.43 C ATOM 38 O PRO A 92 4.838 3.724 15.032 1.00 0.78 O ATOM 39 CB PRO A 92 5.007 7.049 15.427 1.00 0.61 C ATOM 40 CG PRO A 92 3.998 7.998 14.874 1.00 0.69 C ATOM 41 CD PRO A 92 4.232 8.025 13.385 1.00 0.58 C ATOM 0 HA PRO A 92 6.207 5.631 14.298 1.00 0.44 H new ATOM 0 HB2 PRO A 92 4.664 6.606 16.362 1.00 0.61 H new ATOM 0 HB3 PRO A 92 5.950 7.553 15.641 1.00 0.61 H new ATOM 0 HG2 PRO A 92 2.985 7.669 15.105 1.00 0.69 H new ATOM 0 HG3 PRO A 92 4.117 8.991 15.307 1.00 0.69 H new ATOM 0 HD2 PRO A 92 3.316 8.243 12.837 1.00 0.58 H new ATOM 0 HD3 PRO A 92 4.960 8.786 13.105 1.00 0.58 H new ATOM 49 N GLY A 93 3.065 4.781 14.240 1.00 0.52 N ATOM 50 CA GLY A 93 2.198 3.572 14.408 1.00 0.52 C ATOM 51 C GLY A 93 2.264 2.670 13.164 1.00 0.41 C ATOM 52 O GLY A 93 1.263 2.119 12.745 1.00 0.45 O ATOM 0 H GLY A 93 2.595 5.601 13.856 1.00 0.52 H new ATOM 0 HA2 GLY A 93 2.517 3.011 15.286 1.00 0.52 H new ATOM 0 HA3 GLY A 93 1.167 3.881 14.584 1.00 0.52 H new ATOM 56 N GLU A 94 3.422 2.515 12.569 1.00 0.35 N ATOM 57 CA GLU A 94 3.536 1.649 11.353 1.00 0.36 C ATOM 58 C GLU A 94 3.171 0.202 11.681 1.00 0.35 C ATOM 59 O GLU A 94 2.810 -0.555 10.804 1.00 0.36 O ATOM 60 CB GLU A 94 5.002 1.737 10.910 1.00 0.42 C ATOM 61 CG GLU A 94 5.194 0.917 9.631 1.00 0.84 C ATOM 62 CD GLU A 94 6.678 0.857 9.269 1.00 0.88 C ATOM 63 OE1 GLU A 94 7.346 1.867 9.415 1.00 1.27 O ATOM 64 OE2 GLU A 94 7.120 -0.199 8.848 1.00 1.48 O ATOM 0 H GLU A 94 4.293 2.950 12.873 1.00 0.35 H new ATOM 0 HA GLU A 94 2.855 1.980 10.569 1.00 0.36 H new ATOM 0 HB2 GLU A 94 5.279 2.776 10.734 1.00 0.42 H new ATOM 0 HB3 GLU A 94 5.655 1.362 11.698 1.00 0.42 H new ATOM 0 HG2 GLU A 94 4.804 -0.091 9.773 1.00 0.84 H new ATOM 0 HG3 GLU A 94 4.629 1.365 8.813 1.00 0.84 H new ATOM 71 N ALA A 95 3.276 -0.197 12.924 1.00 0.38 N ATOM 72 CA ALA A 95 2.950 -1.614 13.276 1.00 0.41 C ATOM 73 C ALA A 95 1.524 -1.960 12.848 1.00 0.35 C ATOM 74 O ALA A 95 1.297 -2.973 12.211 1.00 0.35 O ATOM 75 CB ALA A 95 3.086 -1.701 14.797 1.00 0.51 C ATOM 0 H ALA A 95 3.570 0.391 13.704 1.00 0.38 H new ATOM 0 HA ALA A 95 3.612 -2.316 12.769 1.00 0.41 H new ATOM 0 HB1 ALA A 95 2.860 -2.716 15.125 1.00 0.51 H new ATOM 0 HB2 ALA A 95 4.105 -1.444 15.086 1.00 0.51 H new ATOM 0 HB3 ALA A 95 2.390 -1.005 15.265 1.00 0.51 H new ATOM 81 N TYR A 96 0.567 -1.124 13.167 1.00 0.36 N ATOM 82 CA TYR A 96 -0.835 -1.414 12.745 1.00 0.37 C ATOM 83 C TYR A 96 -0.909 -1.372 11.223 1.00 0.34 C ATOM 84 O TYR A 96 -1.476 -2.240 10.584 1.00 0.33 O ATOM 85 CB TYR A 96 -1.694 -0.309 13.363 1.00 0.43 C ATOM 86 CG TYR A 96 -3.145 -0.723 13.312 1.00 0.52 C ATOM 87 CD1 TYR A 96 -3.838 -0.718 12.094 1.00 1.40 C ATOM 88 CD2 TYR A 96 -3.801 -1.108 14.487 1.00 1.38 C ATOM 89 CE1 TYR A 96 -5.185 -1.098 12.054 1.00 1.67 C ATOM 90 CE2 TYR A 96 -5.148 -1.489 14.446 1.00 1.62 C ATOM 91 CZ TYR A 96 -5.840 -1.482 13.230 1.00 1.35 C ATOM 92 OH TYR A 96 -7.170 -1.854 13.188 1.00 1.80 O ATOM 0 H TYR A 96 0.695 -0.262 13.696 1.00 0.36 H new ATOM 0 HA TYR A 96 -1.178 -2.397 13.069 1.00 0.37 H new ATOM 0 HB2 TYR A 96 -1.390 -0.129 14.394 1.00 0.43 H new ATOM 0 HB3 TYR A 96 -1.551 0.626 12.821 1.00 0.43 H new ATOM 0 HD1 TYR A 96 -3.333 -0.421 11.187 1.00 1.40 H new ATOM 0 HD2 TYR A 96 -3.268 -1.111 15.426 1.00 1.38 H new ATOM 0 HE1 TYR A 96 -5.719 -1.095 11.115 1.00 1.67 H new ATOM 0 HE2 TYR A 96 -5.653 -1.788 15.353 1.00 1.62 H new ATOM 0 HH TYR A 96 -7.733 -1.053 13.149 1.00 1.80 H new ATOM 102 N LEU A 97 -0.331 -0.352 10.648 1.00 0.41 N ATOM 103 CA LEU A 97 -0.349 -0.205 9.164 1.00 0.48 C ATOM 104 C LEU A 97 0.331 -1.399 8.496 1.00 0.37 C ATOM 105 O LEU A 97 -0.127 -1.893 7.480 1.00 0.32 O ATOM 106 CB LEU A 97 0.424 1.090 8.878 1.00 0.69 C ATOM 107 CG LEU A 97 0.431 1.363 7.372 1.00 0.88 C ATOM 108 CD1 LEU A 97 -1.011 1.549 6.879 1.00 1.78 C ATOM 109 CD2 LEU A 97 1.235 2.634 7.089 1.00 1.74 C ATOM 0 H LEU A 97 0.157 0.392 11.147 1.00 0.41 H new ATOM 0 HA LEU A 97 -1.365 -0.166 8.771 1.00 0.48 H new ATOM 0 HB2 LEU A 97 -0.037 1.924 9.407 1.00 0.69 H new ATOM 0 HB3 LEU A 97 1.446 1.004 9.247 1.00 0.69 H new ATOM 0 HG LEU A 97 0.887 0.521 6.851 1.00 0.88 H new ATOM 0 HD11 LEU A 97 -1.007 1.743 5.806 1.00 1.78 H new ATOM 0 HD12 LEU A 97 -1.584 0.644 7.081 1.00 1.78 H new ATOM 0 HD13 LEU A 97 -1.467 2.392 7.399 1.00 1.78 H new ATOM 0 HD21 LEU A 97 1.241 2.830 6.017 1.00 1.74 H new ATOM 0 HD22 LEU A 97 0.779 3.476 7.609 1.00 1.74 H new ATOM 0 HD23 LEU A 97 2.259 2.503 7.439 1.00 1.74 H new ATOM 121 N GLN A 98 1.420 -1.867 9.056 1.00 0.38 N ATOM 122 CA GLN A 98 2.132 -3.035 8.447 1.00 0.37 C ATOM 123 C GLN A 98 1.200 -4.248 8.422 1.00 0.28 C ATOM 124 O GLN A 98 1.165 -4.991 7.460 1.00 0.29 O ATOM 125 CB GLN A 98 3.343 -3.302 9.348 1.00 0.46 C ATOM 126 CG GLN A 98 4.529 -3.749 8.491 1.00 0.93 C ATOM 127 CD GLN A 98 5.763 -3.932 9.378 1.00 1.11 C ATOM 128 OE1 GLN A 98 5.676 -4.493 10.452 1.00 1.51 O ATOM 129 NE2 GLN A 98 6.917 -3.475 8.972 1.00 1.78 N ATOM 0 H GLN A 98 1.845 -1.493 9.904 1.00 0.38 H new ATOM 0 HA GLN A 98 2.441 -2.839 7.420 1.00 0.37 H new ATOM 0 HB2 GLN A 98 3.602 -2.401 9.904 1.00 0.46 H new ATOM 0 HB3 GLN A 98 3.101 -4.071 10.082 1.00 0.46 H new ATOM 0 HG2 GLN A 98 4.292 -4.684 7.983 1.00 0.93 H new ATOM 0 HG3 GLN A 98 4.731 -3.008 7.717 1.00 0.93 H new ATOM 0 HE21 GLN A 98 6.990 -3.004 8.070 1.00 1.78 H new ATOM 0 HE22 GLN A 98 7.745 -3.589 9.557 1.00 1.78 H new ATOM 138 N VAL A 99 0.433 -4.444 9.469 1.00 0.25 N ATOM 139 CA VAL A 99 -0.515 -5.604 9.503 1.00 0.24 C ATOM 140 C VAL A 99 -1.507 -5.493 8.340 1.00 0.23 C ATOM 141 O VAL A 99 -1.708 -6.435 7.593 1.00 0.26 O ATOM 142 CB VAL A 99 -1.242 -5.492 10.851 1.00 0.28 C ATOM 143 CG1 VAL A 99 -2.259 -6.630 10.997 1.00 0.37 C ATOM 144 CG2 VAL A 99 -0.224 -5.571 11.994 1.00 0.30 C ATOM 0 H VAL A 99 0.422 -3.852 10.300 1.00 0.25 H new ATOM 0 HA VAL A 99 -0.006 -6.563 9.403 1.00 0.24 H new ATOM 0 HB VAL A 99 -1.765 -4.536 10.892 1.00 0.28 H new ATOM 0 HG11 VAL A 99 -2.769 -6.541 11.956 1.00 0.37 H new ATOM 0 HG12 VAL A 99 -2.990 -6.570 10.191 1.00 0.37 H new ATOM 0 HG13 VAL A 99 -1.742 -7.588 10.948 1.00 0.37 H new ATOM 0 HG21 VAL A 99 -0.743 -5.491 12.949 1.00 0.30 H new ATOM 0 HG22 VAL A 99 0.304 -6.524 11.946 1.00 0.30 H new ATOM 0 HG23 VAL A 99 0.492 -4.754 11.901 1.00 0.30 H new ATOM 154 N ALA A 100 -2.116 -4.343 8.177 1.00 0.23 N ATOM 155 CA ALA A 100 -3.082 -4.167 7.053 1.00 0.24 C ATOM 156 C ALA A 100 -2.331 -4.267 5.730 1.00 0.23 C ATOM 157 O ALA A 100 -2.749 -4.957 4.827 1.00 0.23 O ATOM 158 CB ALA A 100 -3.684 -2.770 7.237 1.00 0.28 C ATOM 0 H ALA A 100 -1.985 -3.524 8.771 1.00 0.23 H new ATOM 0 HA ALA A 100 -3.862 -4.928 7.047 1.00 0.24 H new ATOM 0 HB1 ALA A 100 -4.404 -2.576 6.442 1.00 0.28 H new ATOM 0 HB2 ALA A 100 -4.186 -2.715 8.203 1.00 0.28 H new ATOM 0 HB3 ALA A 100 -2.890 -2.024 7.197 1.00 0.28 H new ATOM 164 N PHE A 101 -1.207 -3.603 5.632 1.00 0.23 N ATOM 165 CA PHE A 101 -0.388 -3.665 4.380 1.00 0.23 C ATOM 166 C PHE A 101 -0.011 -5.106 4.062 1.00 0.22 C ATOM 167 O PHE A 101 0.323 -5.412 2.951 1.00 0.23 O ATOM 168 CB PHE A 101 0.886 -2.858 4.680 1.00 0.25 C ATOM 169 CG PHE A 101 0.689 -1.351 4.509 1.00 0.31 C ATOM 170 CD1 PHE A 101 -0.570 -0.780 4.221 1.00 1.19 C ATOM 171 CD2 PHE A 101 1.803 -0.514 4.654 1.00 1.29 C ATOM 172 CE1 PHE A 101 -0.695 0.604 4.083 1.00 1.21 C ATOM 173 CE2 PHE A 101 1.671 0.871 4.516 1.00 1.34 C ATOM 174 CZ PHE A 101 0.423 1.429 4.233 1.00 0.53 C ATOM 0 H PHE A 101 -0.818 -3.016 6.370 1.00 0.23 H new ATOM 0 HA PHE A 101 -0.938 -3.270 3.526 1.00 0.23 H new ATOM 0 HB2 PHE A 101 1.209 -3.064 5.701 1.00 0.25 H new ATOM 0 HB3 PHE A 101 1.686 -3.192 4.019 1.00 0.25 H new ATOM 0 HD1 PHE A 101 -1.437 -1.414 4.107 1.00 1.19 H new ATOM 0 HD2 PHE A 101 2.770 -0.941 4.874 1.00 1.29 H new ATOM 0 HE1 PHE A 101 -1.658 1.038 3.860 1.00 1.21 H new ATOM 0 HE2 PHE A 101 2.535 1.509 4.628 1.00 1.34 H new ATOM 0 HZ PHE A 101 0.321 2.499 4.130 1.00 0.53 H new ATOM 184 N ASP A 102 -0.043 -5.989 5.023 1.00 0.21 N ATOM 185 CA ASP A 102 0.340 -7.403 4.738 1.00 0.22 C ATOM 186 C ASP A 102 -0.827 -8.168 4.126 1.00 0.22 C ATOM 187 O ASP A 102 -0.693 -8.779 3.080 1.00 0.24 O ATOM 188 CB ASP A 102 0.713 -7.989 6.087 1.00 0.23 C ATOM 189 CG ASP A 102 1.550 -9.253 5.885 1.00 0.28 C ATOM 190 OD1 ASP A 102 1.253 -9.995 4.964 1.00 1.12 O ATOM 191 OD2 ASP A 102 2.478 -9.454 6.651 1.00 1.06 O ATOM 0 H ASP A 102 -0.316 -5.795 5.987 1.00 0.21 H new ATOM 0 HA ASP A 102 1.160 -7.465 4.022 1.00 0.22 H new ATOM 0 HB2 ASP A 102 1.274 -7.258 6.669 1.00 0.23 H new ATOM 0 HB3 ASP A 102 -0.188 -8.224 6.654 1.00 0.23 H new ATOM 196 N ILE A 103 -1.972 -8.148 4.766 1.00 0.22 N ATOM 197 CA ILE A 103 -3.137 -8.888 4.205 1.00 0.23 C ATOM 198 C ILE A 103 -3.506 -8.314 2.838 1.00 0.23 C ATOM 199 O ILE A 103 -3.790 -9.039 1.898 1.00 0.25 O ATOM 200 CB ILE A 103 -4.294 -8.706 5.208 1.00 0.23 C ATOM 201 CG1 ILE A 103 -4.615 -7.214 5.433 1.00 0.95 C ATOM 202 CG2 ILE A 103 -3.921 -9.353 6.538 1.00 0.96 C ATOM 203 CD1 ILE A 103 -5.781 -7.071 6.422 1.00 0.95 C ATOM 0 H ILE A 103 -2.146 -7.656 5.642 1.00 0.22 H new ATOM 0 HA ILE A 103 -2.913 -9.945 4.064 1.00 0.23 H new ATOM 0 HB ILE A 103 -5.181 -9.185 4.794 1.00 0.23 H new ATOM 0 HG12 ILE A 103 -3.735 -6.698 5.818 1.00 0.95 H new ATOM 0 HG13 ILE A 103 -4.872 -6.742 4.485 1.00 0.95 H new ATOM 0 HG21 ILE A 103 -4.739 -9.224 7.247 1.00 0.96 H new ATOM 0 HG22 ILE A 103 -3.736 -10.416 6.386 1.00 0.96 H new ATOM 0 HG23 ILE A 103 -3.021 -8.881 6.932 1.00 0.96 H new ATOM 0 HD11 ILE A 103 -6.001 -6.014 6.575 1.00 0.95 H new ATOM 0 HD12 ILE A 103 -6.662 -7.571 6.020 1.00 0.95 H new ATOM 0 HD13 ILE A 103 -5.508 -7.526 7.374 1.00 0.95 H new ATOM 215 N VAL A 104 -3.500 -7.015 2.724 1.00 0.22 N ATOM 216 CA VAL A 104 -3.860 -6.380 1.425 1.00 0.24 C ATOM 217 C VAL A 104 -2.774 -6.632 0.373 1.00 0.25 C ATOM 218 O VAL A 104 -3.066 -6.888 -0.780 1.00 0.27 O ATOM 219 CB VAL A 104 -4.015 -4.883 1.728 1.00 0.24 C ATOM 220 CG1 VAL A 104 -5.058 -4.669 2.833 1.00 0.24 C ATOM 221 CG2 VAL A 104 -2.672 -4.289 2.154 1.00 0.24 C ATOM 0 H VAL A 104 -3.262 -6.366 3.474 1.00 0.22 H new ATOM 0 HA VAL A 104 -4.778 -6.796 1.011 1.00 0.24 H new ATOM 0 HB VAL A 104 -4.353 -4.378 0.823 1.00 0.24 H new ATOM 0 HG11 VAL A 104 -5.158 -3.603 3.038 1.00 0.24 H new ATOM 0 HG12 VAL A 104 -6.019 -5.068 2.508 1.00 0.24 H new ATOM 0 HG13 VAL A 104 -4.739 -5.184 3.739 1.00 0.24 H new ATOM 0 HG21 VAL A 104 -2.795 -3.227 2.366 1.00 0.24 H new ATOM 0 HG22 VAL A 104 -2.316 -4.799 3.049 1.00 0.24 H new ATOM 0 HG23 VAL A 104 -1.946 -4.417 1.351 1.00 0.24 H new ATOM 231 N CYS A 105 -1.527 -6.559 0.766 1.00 0.24 N ATOM 232 CA CYS A 105 -0.415 -6.788 -0.212 1.00 0.24 C ATOM 233 C CYS A 105 -0.477 -8.198 -0.763 1.00 0.24 C ATOM 234 O CYS A 105 -0.444 -8.405 -1.960 1.00 0.27 O ATOM 235 CB CYS A 105 0.870 -6.565 0.587 1.00 0.24 C ATOM 236 SG CYS A 105 2.320 -6.826 -0.463 1.00 0.29 S ATOM 0 H CYS A 105 -1.229 -6.351 1.719 1.00 0.24 H new ATOM 0 HA CYS A 105 -0.475 -6.119 -1.071 1.00 0.24 H new ATOM 0 HB2 CYS A 105 0.883 -5.553 0.991 1.00 0.24 H new ATOM 0 HB3 CYS A 105 0.901 -7.248 1.436 1.00 0.24 H new ATOM 0 HG CYS A 105 3.352 -6.240 0.069 1.00 0.29 H new ATOM 242 N ASP A 106 -0.580 -9.159 0.101 1.00 0.22 N ATOM 243 CA ASP A 106 -0.653 -10.567 -0.372 1.00 0.25 C ATOM 244 C ASP A 106 -1.933 -10.766 -1.198 1.00 0.28 C ATOM 245 O ASP A 106 -2.052 -11.721 -1.943 1.00 0.32 O ATOM 246 CB ASP A 106 -0.681 -11.420 0.890 1.00 0.26 C ATOM 247 CG ASP A 106 0.605 -11.198 1.692 1.00 0.28 C ATOM 248 OD1 ASP A 106 1.633 -10.968 1.077 1.00 1.06 O ATOM 249 OD2 ASP A 106 0.537 -11.261 2.909 1.00 1.16 O ATOM 0 H ASP A 106 -0.617 -9.035 1.113 1.00 0.22 H new ATOM 0 HA ASP A 106 0.188 -10.837 -1.010 1.00 0.25 H new ATOM 0 HB2 ASP A 106 -1.549 -11.161 1.497 1.00 0.26 H new ATOM 0 HB3 ASP A 106 -0.780 -12.473 0.627 1.00 0.26 H new ATOM 254 N ASN A 107 -2.889 -9.865 -1.079 1.00 0.29 N ATOM 255 CA ASN A 107 -4.153 -9.995 -1.864 1.00 0.33 C ATOM 256 C ASN A 107 -4.007 -9.289 -3.213 1.00 0.36 C ATOM 257 O ASN A 107 -4.432 -9.788 -4.237 1.00 0.44 O ATOM 258 CB ASN A 107 -5.196 -9.263 -1.030 1.00 0.32 C ATOM 259 CG ASN A 107 -6.565 -9.911 -1.243 1.00 0.43 C ATOM 260 OD1 ASN A 107 -7.438 -9.326 -1.852 1.00 1.16 O ATOM 261 ND2 ASN A 107 -6.789 -11.105 -0.766 1.00 1.13 N ATOM 0 H ASN A 107 -2.842 -9.048 -0.470 1.00 0.29 H new ATOM 0 HA ASN A 107 -4.413 -11.036 -2.057 1.00 0.33 H new ATOM 0 HB2 ASN A 107 -4.925 -9.300 0.025 1.00 0.32 H new ATOM 0 HB3 ASN A 107 -5.231 -8.211 -1.314 1.00 0.32 H new ATOM 0 HD21 ASN A 107 -7.698 -11.547 -0.905 1.00 1.13 H new ATOM 0 HD22 ASN A 107 -6.055 -11.596 -0.255 1.00 1.13 H new ATOM 268 N VAL A 108 -3.411 -8.125 -3.211 1.00 0.43 N ATOM 269 CA VAL A 108 -3.229 -7.367 -4.480 1.00 0.47 C ATOM 270 C VAL A 108 -2.141 -6.307 -4.295 1.00 0.31 C ATOM 271 O VAL A 108 -2.349 -5.131 -4.494 1.00 0.41 O ATOM 272 CB VAL A 108 -4.612 -6.759 -4.752 1.00 0.62 C ATOM 273 CG1 VAL A 108 -4.919 -5.586 -3.810 1.00 0.66 C ATOM 274 CG2 VAL A 108 -4.677 -6.284 -6.202 1.00 0.65 C ATOM 0 H VAL A 108 -3.041 -7.666 -2.379 1.00 0.43 H new ATOM 0 HA VAL A 108 -2.900 -7.979 -5.320 1.00 0.47 H new ATOM 0 HB VAL A 108 -5.360 -7.531 -4.572 1.00 0.62 H new ATOM 0 HG11 VAL A 108 -5.907 -5.186 -4.037 1.00 0.66 H new ATOM 0 HG12 VAL A 108 -4.897 -5.933 -2.777 1.00 0.66 H new ATOM 0 HG13 VAL A 108 -4.171 -4.805 -3.946 1.00 0.66 H new ATOM 0 HG21 VAL A 108 -5.658 -5.851 -6.400 1.00 0.65 H new ATOM 0 HG22 VAL A 108 -3.907 -5.531 -6.373 1.00 0.65 H new ATOM 0 HG23 VAL A 108 -4.512 -7.130 -6.870 1.00 0.65 H new ATOM 284 N GLY A 109 -0.987 -6.731 -3.876 1.00 0.25 N ATOM 285 CA GLY A 109 0.133 -5.784 -3.609 1.00 0.27 C ATOM 286 C GLY A 109 0.363 -4.860 -4.826 1.00 0.26 C ATOM 287 O GLY A 109 0.607 -3.680 -4.679 1.00 0.29 O ATOM 0 H GLY A 109 -0.765 -7.711 -3.703 1.00 0.25 H new ATOM 0 HA2 GLY A 109 -0.093 -5.184 -2.727 1.00 0.27 H new ATOM 0 HA3 GLY A 109 1.044 -6.341 -3.391 1.00 0.27 H new ATOM 291 N ARG A 110 0.289 -5.394 -6.019 1.00 0.28 N ATOM 292 CA ARG A 110 0.519 -4.562 -7.252 1.00 0.29 C ATOM 293 C ARG A 110 -0.414 -3.341 -7.309 1.00 0.27 C ATOM 294 O ARG A 110 -0.149 -2.383 -8.025 1.00 0.27 O ATOM 295 CB ARG A 110 0.256 -5.502 -8.434 1.00 0.33 C ATOM 296 CG ARG A 110 1.591 -5.953 -9.052 1.00 0.71 C ATOM 297 CD ARG A 110 1.890 -7.400 -8.650 1.00 0.61 C ATOM 298 NE ARG A 110 1.252 -8.229 -9.709 1.00 1.25 N ATOM 299 CZ ARG A 110 1.991 -8.922 -10.530 1.00 1.82 C ATOM 300 NH1 ARG A 110 3.013 -9.597 -10.078 1.00 2.62 N ATOM 301 NH2 ARG A 110 1.710 -8.939 -11.804 1.00 2.36 N ATOM 0 H ARG A 110 0.078 -6.376 -6.198 1.00 0.28 H new ATOM 0 HA ARG A 110 1.531 -4.158 -7.264 1.00 0.29 H new ATOM 0 HB2 ARG A 110 -0.312 -6.370 -8.100 1.00 0.33 H new ATOM 0 HB3 ARG A 110 -0.350 -4.995 -9.185 1.00 0.33 H new ATOM 0 HG2 ARG A 110 1.545 -5.870 -10.138 1.00 0.71 H new ATOM 0 HG3 ARG A 110 2.396 -5.299 -8.716 1.00 0.71 H new ATOM 0 HD2 ARG A 110 2.963 -7.582 -8.598 1.00 0.61 H new ATOM 0 HD3 ARG A 110 1.480 -7.630 -7.667 1.00 0.61 H new ATOM 0 HE ARG A 110 0.236 -8.255 -9.793 1.00 1.25 H new ATOM 0 HH11 ARG A 110 3.234 -9.582 -9.082 1.00 2.62 H new ATOM 0 HH12 ARG A 110 3.591 -10.139 -10.721 1.00 2.62 H new ATOM 0 HH21 ARG A 110 0.913 -8.410 -12.157 1.00 2.36 H new ATOM 0 HH22 ARG A 110 2.288 -9.481 -12.447 1.00 2.36 H new ATOM 315 N ASP A 111 -1.487 -3.344 -6.560 1.00 0.29 N ATOM 316 CA ASP A 111 -2.401 -2.164 -6.589 1.00 0.32 C ATOM 317 C ASP A 111 -1.686 -0.967 -5.955 1.00 0.29 C ATOM 318 O ASP A 111 -1.992 0.173 -6.249 1.00 0.33 O ATOM 319 CB ASP A 111 -3.628 -2.579 -5.771 1.00 0.39 C ATOM 320 CG ASP A 111 -4.618 -3.330 -6.666 1.00 0.51 C ATOM 321 OD1 ASP A 111 -4.185 -3.910 -7.649 1.00 1.23 O ATOM 322 OD2 ASP A 111 -5.796 -3.316 -6.348 1.00 1.16 O ATOM 0 H ASP A 111 -1.767 -4.102 -5.937 1.00 0.29 H new ATOM 0 HA ASP A 111 -2.691 -1.872 -7.598 1.00 0.32 H new ATOM 0 HB2 ASP A 111 -3.324 -3.213 -4.938 1.00 0.39 H new ATOM 0 HB3 ASP A 111 -4.106 -1.698 -5.343 1.00 0.39 H new ATOM 327 N TRP A 112 -0.711 -1.218 -5.113 1.00 0.26 N ATOM 328 CA TRP A 112 0.055 -0.097 -4.492 1.00 0.26 C ATOM 329 C TRP A 112 0.897 0.557 -5.576 1.00 0.27 C ATOM 330 O TRP A 112 1.088 1.750 -5.576 1.00 0.26 O ATOM 331 CB TRP A 112 0.933 -0.715 -3.394 1.00 0.30 C ATOM 332 CG TRP A 112 0.093 -1.608 -2.541 1.00 0.29 C ATOM 333 CD1 TRP A 112 0.481 -2.809 -2.070 1.00 0.37 C ATOM 334 CD2 TRP A 112 -1.286 -1.420 -2.098 1.00 0.27 C ATOM 335 NE1 TRP A 112 -0.554 -3.360 -1.351 1.00 0.37 N ATOM 336 CE2 TRP A 112 -1.663 -2.550 -1.345 1.00 0.30 C ATOM 337 CE3 TRP A 112 -2.239 -0.393 -2.263 1.00 0.32 C ATOM 338 CZ2 TRP A 112 -2.925 -2.667 -0.786 1.00 0.31 C ATOM 339 CZ3 TRP A 112 -3.518 -0.512 -1.696 1.00 0.38 C ATOM 340 CH2 TRP A 112 -3.859 -1.653 -0.960 1.00 0.35 C ATOM 0 H TRP A 112 -0.415 -2.152 -4.831 1.00 0.26 H new ATOM 0 HA TRP A 112 -0.591 0.665 -4.056 1.00 0.26 H new ATOM 0 HB2 TRP A 112 1.750 -1.281 -3.840 1.00 0.30 H new ATOM 0 HB3 TRP A 112 1.384 0.070 -2.787 1.00 0.30 H new ATOM 0 HD1 TRP A 112 1.447 -3.265 -2.231 1.00 0.37 H new ATOM 0 HE1 TRP A 112 -0.504 -4.263 -0.879 1.00 0.37 H new ATOM 0 HE3 TRP A 112 -1.983 0.490 -2.829 1.00 0.32 H new ATOM 0 HZ2 TRP A 112 -3.183 -3.547 -0.215 1.00 0.31 H new ATOM 0 HZ3 TRP A 112 -4.241 0.279 -1.828 1.00 0.38 H new ATOM 0 HH2 TRP A 112 -4.845 -1.745 -0.529 1.00 0.35 H new ATOM 351 N LYS A 113 1.377 -0.216 -6.527 1.00 0.35 N ATOM 352 CA LYS A 113 2.172 0.387 -7.641 1.00 0.40 C ATOM 353 C LYS A 113 1.271 1.375 -8.387 1.00 0.37 C ATOM 354 O LYS A 113 1.680 2.459 -8.753 1.00 0.39 O ATOM 355 CB LYS A 113 2.562 -0.782 -8.552 1.00 0.50 C ATOM 356 CG LYS A 113 3.598 -1.673 -7.847 1.00 0.56 C ATOM 357 CD LYS A 113 4.908 -1.680 -8.641 1.00 1.26 C ATOM 358 CE LYS A 113 4.721 -2.470 -9.940 1.00 1.59 C ATOM 359 NZ LYS A 113 5.385 -1.647 -10.990 1.00 2.35 N ATOM 0 H LYS A 113 1.252 -1.227 -6.577 1.00 0.35 H new ATOM 0 HA LYS A 113 3.058 0.920 -7.296 1.00 0.40 H new ATOM 0 HB2 LYS A 113 1.678 -1.368 -8.805 1.00 0.50 H new ATOM 0 HB3 LYS A 113 2.972 -0.403 -9.488 1.00 0.50 H new ATOM 0 HG2 LYS A 113 3.777 -1.307 -6.836 1.00 0.56 H new ATOM 0 HG3 LYS A 113 3.214 -2.689 -7.754 1.00 0.56 H new ATOM 0 HD2 LYS A 113 5.213 -0.658 -8.866 1.00 1.26 H new ATOM 0 HD3 LYS A 113 5.704 -2.126 -8.044 1.00 1.26 H new ATOM 0 HE2 LYS A 113 5.173 -3.459 -9.869 1.00 1.59 H new ATOM 0 HE3 LYS A 113 3.664 -2.618 -10.164 1.00 1.59 H new ATOM 0 HZ1 LYS A 113 5.299 -2.123 -11.910 1.00 2.35 H new ATOM 0 HZ2 LYS A 113 4.929 -0.714 -11.039 1.00 2.35 H new ATOM 0 HZ3 LYS A 113 6.391 -1.529 -10.754 1.00 2.35 H new ATOM 373 N ARG A 114 0.027 1.004 -8.572 1.00 0.35 N ATOM 374 CA ARG A 114 -0.946 1.924 -9.255 1.00 0.39 C ATOM 375 C ARG A 114 -1.139 3.188 -8.402 1.00 0.32 C ATOM 376 O ARG A 114 -1.067 4.307 -8.888 1.00 0.30 O ATOM 377 CB ARG A 114 -2.254 1.118 -9.323 1.00 0.48 C ATOM 378 CG ARG A 114 -3.386 1.967 -9.920 1.00 1.08 C ATOM 379 CD ARG A 114 -4.673 1.746 -9.111 1.00 0.73 C ATOM 380 NE ARG A 114 -5.680 2.654 -9.726 1.00 1.16 N ATOM 381 CZ ARG A 114 -6.880 2.213 -9.988 1.00 1.38 C ATOM 382 NH1 ARG A 114 -7.036 1.056 -10.570 1.00 2.12 N ATOM 383 NH2 ARG A 114 -7.924 2.927 -9.665 1.00 1.89 N ATOM 0 H ARG A 114 -0.359 0.106 -8.281 1.00 0.35 H new ATOM 0 HA ARG A 114 -0.610 2.245 -10.241 1.00 0.39 H new ATOM 0 HB2 ARG A 114 -2.105 0.224 -9.929 1.00 0.48 H new ATOM 0 HB3 ARG A 114 -2.533 0.783 -8.324 1.00 0.48 H new ATOM 0 HG2 ARG A 114 -3.111 3.022 -9.905 1.00 1.08 H new ATOM 0 HG3 ARG A 114 -3.548 1.695 -10.963 1.00 1.08 H new ATOM 0 HD2 ARG A 114 -4.997 0.706 -9.162 1.00 0.73 H new ATOM 0 HD3 ARG A 114 -4.522 1.981 -8.058 1.00 0.73 H new ATOM 0 HE ARG A 114 -5.432 3.620 -9.942 1.00 1.16 H new ATOM 0 HH11 ARG A 114 -6.220 0.497 -10.820 1.00 2.12 H new ATOM 0 HH12 ARG A 114 -7.974 0.711 -10.775 1.00 2.12 H new ATOM 0 HH21 ARG A 114 -7.802 3.830 -9.207 1.00 1.89 H new ATOM 0 HH22 ARG A 114 -8.861 2.581 -9.870 1.00 1.89 H new ATOM 397 N LEU A 115 -1.377 3.004 -7.131 1.00 0.30 N ATOM 398 CA LEU A 115 -1.579 4.168 -6.220 1.00 0.28 C ATOM 399 C LEU A 115 -0.251 4.900 -6.018 1.00 0.24 C ATOM 400 O LEU A 115 -0.220 6.091 -5.782 1.00 0.24 O ATOM 401 CB LEU A 115 -2.083 3.565 -4.904 1.00 0.29 C ATOM 402 CG LEU A 115 -3.444 2.901 -5.136 1.00 0.34 C ATOM 403 CD1 LEU A 115 -3.802 2.033 -3.928 1.00 0.49 C ATOM 404 CD2 LEU A 115 -4.518 3.978 -5.316 1.00 0.54 C ATOM 0 H LEU A 115 -1.441 2.091 -6.682 1.00 0.30 H new ATOM 0 HA LEU A 115 -2.286 4.896 -6.618 1.00 0.28 H new ATOM 0 HB2 LEU A 115 -1.368 2.833 -4.530 1.00 0.29 H new ATOM 0 HB3 LEU A 115 -2.170 4.342 -4.145 1.00 0.29 H new ATOM 0 HG LEU A 115 -3.393 2.282 -6.032 1.00 0.34 H new ATOM 0 HD11 LEU A 115 -4.770 1.561 -4.093 1.00 0.49 H new ATOM 0 HD12 LEU A 115 -3.041 1.264 -3.794 1.00 0.49 H new ATOM 0 HD13 LEU A 115 -3.850 2.655 -3.034 1.00 0.49 H new ATOM 0 HD21 LEU A 115 -5.485 3.503 -5.481 1.00 0.54 H new ATOM 0 HD22 LEU A 115 -4.566 4.597 -4.420 1.00 0.54 H new ATOM 0 HD23 LEU A 115 -4.268 4.601 -6.175 1.00 0.54 H new ATOM 416 N ALA A 116 0.849 4.193 -6.120 1.00 0.24 N ATOM 417 CA ALA A 116 2.184 4.842 -5.945 1.00 0.24 C ATOM 418 C ALA A 116 2.347 5.940 -6.997 1.00 0.22 C ATOM 419 O ALA A 116 2.695 7.068 -6.683 1.00 0.23 O ATOM 420 CB ALA A 116 3.210 3.724 -6.157 1.00 0.28 C ATOM 0 H ALA A 116 0.878 3.193 -6.317 1.00 0.24 H new ATOM 0 HA ALA A 116 2.305 5.305 -4.966 1.00 0.24 H new ATOM 0 HB1 ALA A 116 4.216 4.127 -6.044 1.00 0.28 H new ATOM 0 HB2 ALA A 116 3.049 2.938 -5.420 1.00 0.28 H new ATOM 0 HB3 ALA A 116 3.096 3.311 -7.159 1.00 0.28 H new ATOM 426 N ARG A 117 2.056 5.632 -8.242 1.00 0.23 N ATOM 427 CA ARG A 117 2.150 6.673 -9.308 1.00 0.24 C ATOM 428 C ARG A 117 1.184 7.812 -8.965 1.00 0.24 C ATOM 429 O ARG A 117 1.507 8.976 -9.108 1.00 0.25 O ATOM 430 CB ARG A 117 1.751 5.979 -10.613 1.00 0.28 C ATOM 431 CG ARG A 117 2.847 4.991 -11.017 1.00 0.33 C ATOM 432 CD ARG A 117 2.514 4.377 -12.379 1.00 1.07 C ATOM 433 NE ARG A 117 3.587 3.371 -12.616 1.00 1.41 N ATOM 434 CZ ARG A 117 3.882 3.002 -13.833 1.00 1.87 C ATOM 435 NH1 ARG A 117 3.090 2.191 -14.479 1.00 2.31 N ATOM 436 NH2 ARG A 117 4.970 3.444 -14.404 1.00 2.54 N ATOM 0 H ARG A 117 1.760 4.709 -8.560 1.00 0.23 H new ATOM 0 HA ARG A 117 3.149 7.100 -9.398 1.00 0.24 H new ATOM 0 HB2 ARG A 117 0.803 5.456 -10.485 1.00 0.28 H new ATOM 0 HB3 ARG A 117 1.603 6.718 -11.401 1.00 0.28 H new ATOM 0 HG2 ARG A 117 3.810 5.500 -11.063 1.00 0.33 H new ATOM 0 HG3 ARG A 117 2.937 4.206 -10.266 1.00 0.33 H new ATOM 0 HD2 ARG A 117 1.529 3.910 -12.372 1.00 1.07 H new ATOM 0 HD3 ARG A 117 2.502 5.135 -13.162 1.00 1.07 H new ATOM 0 HE ARG A 117 4.092 2.970 -11.826 1.00 1.41 H new ATOM 0 HH11 ARG A 117 2.240 1.845 -14.033 1.00 2.31 H new ATOM 0 HH12 ARG A 117 3.321 1.903 -15.430 1.00 2.31 H new ATOM 0 HH21 ARG A 117 5.590 4.078 -13.899 1.00 2.54 H new ATOM 0 HH22 ARG A 117 5.200 3.156 -15.355 1.00 2.54 H new ATOM 450 N GLU A 118 0.009 7.475 -8.478 1.00 0.24 N ATOM 451 CA GLU A 118 -0.968 8.534 -8.080 1.00 0.28 C ATOM 452 C GLU A 118 -0.368 9.353 -6.932 1.00 0.27 C ATOM 453 O GLU A 118 -0.490 10.562 -6.879 1.00 0.30 O ATOM 454 CB GLU A 118 -2.222 7.795 -7.613 1.00 0.30 C ATOM 455 CG GLU A 118 -2.912 7.140 -8.813 1.00 0.33 C ATOM 456 CD GLU A 118 -4.327 6.707 -8.416 1.00 1.20 C ATOM 457 OE1 GLU A 118 -4.932 7.394 -7.608 1.00 2.01 O ATOM 458 OE2 GLU A 118 -4.785 5.704 -8.937 1.00 1.85 O ATOM 0 H GLU A 118 -0.311 6.516 -8.341 1.00 0.24 H new ATOM 0 HA GLU A 118 -1.201 9.216 -8.898 1.00 0.28 H new ATOM 0 HB2 GLU A 118 -1.956 7.037 -6.876 1.00 0.30 H new ATOM 0 HB3 GLU A 118 -2.904 8.490 -7.124 1.00 0.30 H new ATOM 0 HG2 GLU A 118 -2.955 7.840 -9.648 1.00 0.33 H new ATOM 0 HG3 GLU A 118 -2.337 6.277 -9.150 1.00 0.33 H new ATOM 465 N LEU A 119 0.295 8.685 -6.020 1.00 0.26 N ATOM 466 CA LEU A 119 0.935 9.391 -4.865 1.00 0.28 C ATOM 467 C LEU A 119 2.206 10.127 -5.316 1.00 0.27 C ATOM 468 O LEU A 119 2.819 10.841 -4.545 1.00 0.31 O ATOM 469 CB LEU A 119 1.280 8.280 -3.875 1.00 0.29 C ATOM 470 CG LEU A 119 -0.016 7.649 -3.361 1.00 0.43 C ATOM 471 CD1 LEU A 119 0.277 6.266 -2.776 1.00 1.35 C ATOM 472 CD2 LEU A 119 -0.617 8.546 -2.277 1.00 0.78 C ATOM 0 H LEU A 119 0.421 7.673 -6.026 1.00 0.26 H new ATOM 0 HA LEU A 119 0.280 10.145 -4.428 1.00 0.28 H new ATOM 0 HB2 LEU A 119 1.900 7.525 -4.358 1.00 0.29 H new ATOM 0 HB3 LEU A 119 1.858 8.683 -3.043 1.00 0.29 H new ATOM 0 HG LEU A 119 -0.721 7.546 -4.186 1.00 0.43 H new ATOM 0 HD11 LEU A 119 -0.649 5.821 -2.412 1.00 1.35 H new ATOM 0 HD12 LEU A 119 0.707 5.628 -3.548 1.00 1.35 H new ATOM 0 HD13 LEU A 119 0.983 6.362 -1.951 1.00 1.35 H new ATOM 0 HD21 LEU A 119 -1.541 8.101 -1.907 1.00 0.78 H new ATOM 0 HD22 LEU A 119 0.091 8.648 -1.455 1.00 0.78 H new ATOM 0 HD23 LEU A 119 -0.830 9.530 -2.696 1.00 0.78 H new ATOM 484 N LYS A 120 2.609 9.965 -6.561 1.00 0.25 N ATOM 485 CA LYS A 120 3.838 10.656 -7.066 1.00 0.28 C ATOM 486 C LYS A 120 5.062 10.249 -6.249 1.00 0.30 C ATOM 487 O LYS A 120 5.816 11.080 -5.780 1.00 0.34 O ATOM 488 CB LYS A 120 3.576 12.167 -6.957 1.00 0.33 C ATOM 489 CG LYS A 120 3.163 12.711 -8.329 1.00 1.05 C ATOM 490 CD LYS A 120 2.680 14.157 -8.190 1.00 1.32 C ATOM 491 CE LYS A 120 3.136 14.967 -9.409 1.00 1.93 C ATOM 492 NZ LYS A 120 1.985 15.852 -9.739 1.00 2.47 N ATOM 0 H LYS A 120 2.134 9.380 -7.249 1.00 0.25 H new ATOM 0 HA LYS A 120 4.045 10.377 -8.099 1.00 0.28 H new ATOM 0 HB2 LYS A 120 2.791 12.360 -6.226 1.00 0.33 H new ATOM 0 HB3 LYS A 120 4.472 12.678 -6.605 1.00 0.33 H new ATOM 0 HG2 LYS A 120 4.007 12.664 -9.018 1.00 1.05 H new ATOM 0 HG3 LYS A 120 2.371 12.093 -8.752 1.00 1.05 H new ATOM 0 HD2 LYS A 120 1.593 14.183 -8.109 1.00 1.32 H new ATOM 0 HD3 LYS A 120 3.078 14.599 -7.277 1.00 1.32 H new ATOM 0 HE2 LYS A 120 4.029 15.550 -9.184 1.00 1.93 H new ATOM 0 HE3 LYS A 120 3.384 14.314 -10.246 1.00 1.93 H new ATOM 0 HZ1 LYS A 120 2.223 16.438 -10.565 1.00 2.47 H new ATOM 0 HZ2 LYS A 120 1.151 15.270 -9.956 1.00 2.47 H new ATOM 0 HZ3 LYS A 120 1.776 16.467 -8.927 1.00 2.47 H new ATOM 506 N VAL A 121 5.269 8.969 -6.098 1.00 0.29 N ATOM 507 CA VAL A 121 6.455 8.479 -5.332 1.00 0.34 C ATOM 508 C VAL A 121 7.727 8.736 -6.146 1.00 0.37 C ATOM 509 O VAL A 121 7.670 8.936 -7.345 1.00 0.36 O ATOM 510 CB VAL A 121 6.239 6.970 -5.148 1.00 0.35 C ATOM 511 CG1 VAL A 121 4.982 6.730 -4.312 1.00 1.25 C ATOM 512 CG2 VAL A 121 6.076 6.286 -6.514 1.00 0.98 C ATOM 0 H VAL A 121 4.666 8.237 -6.473 1.00 0.29 H new ATOM 0 HA VAL A 121 6.563 8.985 -4.373 1.00 0.34 H new ATOM 0 HB VAL A 121 7.107 6.551 -4.639 1.00 0.35 H new ATOM 0 HG11 VAL A 121 4.830 5.658 -4.182 1.00 1.25 H new ATOM 0 HG12 VAL A 121 5.099 7.201 -3.336 1.00 1.25 H new ATOM 0 HG13 VAL A 121 4.119 7.160 -4.821 1.00 1.25 H new ATOM 0 HG21 VAL A 121 5.924 5.216 -6.369 1.00 0.98 H new ATOM 0 HG22 VAL A 121 5.215 6.709 -7.032 1.00 0.98 H new ATOM 0 HG23 VAL A 121 6.974 6.447 -7.111 1.00 0.98 H new ATOM 522 N SER A 122 8.873 8.736 -5.509 1.00 0.44 N ATOM 523 CA SER A 122 10.152 8.985 -6.254 1.00 0.50 C ATOM 524 C SER A 122 10.265 8.050 -7.460 1.00 0.44 C ATOM 525 O SER A 122 10.308 6.842 -7.320 1.00 0.41 O ATOM 526 CB SER A 122 11.265 8.684 -5.247 1.00 0.60 C ATOM 527 OG SER A 122 11.755 9.902 -4.704 1.00 1.24 O ATOM 0 H SER A 122 8.980 8.575 -4.508 1.00 0.44 H new ATOM 0 HA SER A 122 10.206 10.004 -6.637 1.00 0.50 H new ATOM 0 HB2 SER A 122 10.886 8.045 -4.450 1.00 0.60 H new ATOM 0 HB3 SER A 122 12.074 8.140 -5.735 1.00 0.60 H new ATOM 0 HG SER A 122 12.466 9.709 -4.058 1.00 1.24 H new ATOM 533 N GLU A 123 10.325 8.607 -8.643 1.00 0.48 N ATOM 534 CA GLU A 123 10.450 7.761 -9.867 1.00 0.48 C ATOM 535 C GLU A 123 11.728 6.934 -9.782 1.00 0.46 C ATOM 536 O GLU A 123 11.791 5.815 -10.255 1.00 0.45 O ATOM 537 CB GLU A 123 10.517 8.743 -11.042 1.00 0.59 C ATOM 538 CG GLU A 123 9.165 8.779 -11.759 1.00 1.45 C ATOM 539 CD GLU A 123 9.292 9.583 -13.054 1.00 1.76 C ATOM 540 OE1 GLU A 123 9.797 10.691 -12.992 1.00 2.31 O ATOM 541 OE2 GLU A 123 8.885 9.075 -14.086 1.00 2.15 O ATOM 0 H GLU A 123 10.293 9.612 -8.814 1.00 0.48 H new ATOM 0 HA GLU A 123 9.617 7.067 -9.981 1.00 0.48 H new ATOM 0 HB2 GLU A 123 10.776 9.739 -10.682 1.00 0.59 H new ATOM 0 HB3 GLU A 123 11.301 8.441 -11.737 1.00 0.59 H new ATOM 0 HG2 GLU A 123 8.832 7.765 -11.980 1.00 1.45 H new ATOM 0 HG3 GLU A 123 8.411 9.228 -11.113 1.00 1.45 H new ATOM 548 N ALA A 124 12.747 7.482 -9.168 1.00 0.48 N ATOM 549 CA ALA A 124 14.035 6.734 -9.035 1.00 0.50 C ATOM 550 C ALA A 124 13.798 5.402 -8.315 1.00 0.42 C ATOM 551 O ALA A 124 14.175 4.352 -8.799 1.00 0.39 O ATOM 552 CB ALA A 124 14.937 7.642 -8.194 1.00 0.59 C ATOM 0 H ALA A 124 12.743 8.414 -8.754 1.00 0.48 H new ATOM 0 HA ALA A 124 14.479 6.501 -10.003 1.00 0.50 H new ATOM 0 HB1 ALA A 124 15.905 7.162 -8.051 1.00 0.59 H new ATOM 0 HB2 ALA A 124 15.076 8.593 -8.708 1.00 0.59 H new ATOM 0 HB3 ALA A 124 14.473 7.818 -7.224 1.00 0.59 H new ATOM 558 N LYS A 125 13.167 5.442 -7.167 1.00 0.43 N ATOM 559 CA LYS A 125 12.897 4.175 -6.417 1.00 0.42 C ATOM 560 C LYS A 125 12.010 3.235 -7.239 1.00 0.36 C ATOM 561 O LYS A 125 12.263 2.047 -7.319 1.00 0.35 O ATOM 562 CB LYS A 125 12.181 4.600 -5.136 1.00 0.53 C ATOM 563 CG LYS A 125 13.172 5.329 -4.226 1.00 0.71 C ATOM 564 CD LYS A 125 12.469 5.760 -2.938 1.00 0.94 C ATOM 565 CE LYS A 125 13.468 6.487 -2.036 1.00 0.91 C ATOM 566 NZ LYS A 125 12.638 7.165 -1.004 1.00 1.77 N ATOM 0 H LYS A 125 12.828 6.293 -6.718 1.00 0.43 H new ATOM 0 HA LYS A 125 13.818 3.632 -6.205 1.00 0.42 H new ATOM 0 HB2 LYS A 125 11.340 5.251 -5.374 1.00 0.53 H new ATOM 0 HB3 LYS A 125 11.774 3.727 -4.626 1.00 0.53 H new ATOM 0 HG2 LYS A 125 14.013 4.676 -3.992 1.00 0.71 H new ATOM 0 HG3 LYS A 125 13.578 6.201 -4.739 1.00 0.71 H new ATOM 0 HD2 LYS A 125 11.628 6.414 -3.170 1.00 0.94 H new ATOM 0 HD3 LYS A 125 12.063 4.889 -2.423 1.00 0.94 H new ATOM 0 HE2 LYS A 125 14.169 5.788 -1.581 1.00 0.91 H new ATOM 0 HE3 LYS A 125 14.059 7.207 -2.602 1.00 0.91 H new ATOM 0 HZ1 LYS A 125 13.254 7.699 -0.358 1.00 1.77 H new ATOM 0 HZ2 LYS A 125 11.973 7.817 -1.467 1.00 1.77 H new ATOM 0 HZ3 LYS A 125 12.105 6.453 -0.464 1.00 1.77 H new ATOM 580 N MET A 126 10.976 3.755 -7.859 1.00 0.40 N ATOM 581 CA MET A 126 10.079 2.879 -8.679 1.00 0.47 C ATOM 582 C MET A 126 10.881 2.220 -9.802 1.00 0.45 C ATOM 583 O MET A 126 10.706 1.054 -10.104 1.00 0.51 O ATOM 584 CB MET A 126 9.010 3.809 -9.265 1.00 0.58 C ATOM 585 CG MET A 126 7.983 4.173 -8.187 1.00 0.82 C ATOM 586 SD MET A 126 6.970 2.722 -7.808 1.00 1.28 S ATOM 587 CE MET A 126 5.978 2.737 -9.322 1.00 1.45 C ATOM 0 H MET A 126 10.716 4.741 -7.833 1.00 0.40 H new ATOM 0 HA MET A 126 9.633 2.083 -8.083 1.00 0.47 H new ATOM 0 HB2 MET A 126 9.477 4.714 -9.654 1.00 0.58 H new ATOM 0 HB3 MET A 126 8.512 3.322 -10.103 1.00 0.58 H new ATOM 0 HG2 MET A 126 8.491 4.521 -7.287 1.00 0.82 H new ATOM 0 HG3 MET A 126 7.351 4.991 -8.532 1.00 0.82 H new ATOM 0 HE1 MET A 126 4.920 2.776 -9.063 1.00 1.45 H new ATOM 0 HE2 MET A 126 6.238 3.611 -9.919 1.00 1.45 H new ATOM 0 HE3 MET A 126 6.178 1.833 -9.897 1.00 1.45 H new ATOM 597 N ASP A 127 11.765 2.962 -10.415 1.00 0.45 N ATOM 598 CA ASP A 127 12.595 2.382 -11.515 1.00 0.51 C ATOM 599 C ASP A 127 13.462 1.244 -10.976 1.00 0.43 C ATOM 600 O ASP A 127 13.622 0.218 -11.612 1.00 0.48 O ATOM 601 CB ASP A 127 13.473 3.526 -12.018 1.00 0.59 C ATOM 602 CG ASP A 127 13.964 3.198 -13.430 1.00 1.27 C ATOM 603 OD1 ASP A 127 14.666 2.210 -13.580 1.00 2.01 O ATOM 604 OD2 ASP A 127 13.620 3.934 -14.340 1.00 1.90 O ATOM 0 H ASP A 127 11.949 3.943 -10.203 1.00 0.45 H new ATOM 0 HA ASP A 127 11.978 1.969 -12.313 1.00 0.51 H new ATOM 0 HB2 ASP A 127 12.909 4.459 -12.023 1.00 0.59 H new ATOM 0 HB3 ASP A 127 14.321 3.671 -11.349 1.00 0.59 H new ATOM 609 N GLY A 128 14.015 1.423 -9.802 1.00 0.37 N ATOM 610 CA GLY A 128 14.877 0.364 -9.203 1.00 0.39 C ATOM 611 C GLY A 128 14.054 -0.828 -8.717 1.00 0.37 C ATOM 612 O GLY A 128 14.418 -1.966 -8.953 1.00 0.40 O ATOM 0 H GLY A 128 13.904 2.262 -9.232 1.00 0.37 H new ATOM 0 HA2 GLY A 128 15.605 0.027 -9.941 1.00 0.39 H new ATOM 0 HA3 GLY A 128 15.440 0.782 -8.368 1.00 0.39 H new ATOM 616 N ILE A 129 12.960 -0.595 -8.027 1.00 0.38 N ATOM 617 CA ILE A 129 12.144 -1.745 -7.529 1.00 0.48 C ATOM 618 C ILE A 129 11.659 -2.597 -8.718 1.00 0.48 C ATOM 619 O ILE A 129 11.751 -3.810 -8.704 1.00 0.50 O ATOM 620 CB ILE A 129 10.987 -1.109 -6.711 1.00 0.60 C ATOM 621 CG1 ILE A 129 10.545 -2.095 -5.628 1.00 0.94 C ATOM 622 CG2 ILE A 129 9.770 -0.751 -7.584 1.00 1.07 C ATOM 623 CD1 ILE A 129 11.550 -2.091 -4.474 1.00 1.94 C ATOM 0 H ILE A 129 12.602 0.331 -7.791 1.00 0.38 H new ATOM 0 HA ILE A 129 12.707 -2.431 -6.896 1.00 0.48 H new ATOM 0 HB ILE A 129 11.364 -0.183 -6.276 1.00 0.60 H new ATOM 0 HG12 ILE A 129 9.555 -1.824 -5.260 1.00 0.94 H new ATOM 0 HG13 ILE A 129 10.465 -3.098 -6.048 1.00 0.94 H new ATOM 0 HG21 ILE A 129 8.992 -0.310 -6.961 1.00 1.07 H new ATOM 0 HG22 ILE A 129 10.070 -0.036 -8.350 1.00 1.07 H new ATOM 0 HG23 ILE A 129 9.386 -1.653 -8.060 1.00 1.07 H new ATOM 0 HD11 ILE A 129 11.227 -2.796 -3.708 1.00 1.94 H new ATOM 0 HD12 ILE A 129 12.532 -2.384 -4.846 1.00 1.94 H new ATOM 0 HD13 ILE A 129 11.608 -1.090 -4.045 1.00 1.94 H new ATOM 635 N GLU A 130 11.142 -1.959 -9.738 1.00 0.51 N ATOM 636 CA GLU A 130 10.646 -2.716 -10.930 1.00 0.59 C ATOM 637 C GLU A 130 11.772 -3.523 -11.595 1.00 0.53 C ATOM 638 O GLU A 130 11.630 -4.707 -11.837 1.00 0.58 O ATOM 639 CB GLU A 130 10.108 -1.652 -11.890 1.00 0.70 C ATOM 640 CG GLU A 130 8.815 -2.156 -12.534 1.00 1.40 C ATOM 641 CD GLU A 130 8.201 -1.045 -13.384 1.00 1.59 C ATOM 642 OE1 GLU A 130 8.607 -0.906 -14.526 1.00 2.12 O ATOM 643 OE2 GLU A 130 7.332 -0.353 -12.879 1.00 1.91 O ATOM 0 H GLU A 130 11.042 -0.946 -9.798 1.00 0.51 H new ATOM 0 HA GLU A 130 9.882 -3.440 -10.648 1.00 0.59 H new ATOM 0 HB2 GLU A 130 9.921 -0.722 -11.352 1.00 0.70 H new ATOM 0 HB3 GLU A 130 10.849 -1.432 -12.659 1.00 0.70 H new ATOM 0 HG2 GLU A 130 9.021 -3.030 -13.152 1.00 1.40 H new ATOM 0 HG3 GLU A 130 8.111 -2.470 -11.763 1.00 1.40 H new ATOM 650 N GLU A 131 12.882 -2.891 -11.907 1.00 0.48 N ATOM 651 CA GLU A 131 14.004 -3.630 -12.575 1.00 0.50 C ATOM 652 C GLU A 131 14.534 -4.746 -11.675 1.00 0.46 C ATOM 653 O GLU A 131 14.712 -5.871 -12.107 1.00 0.50 O ATOM 654 CB GLU A 131 15.097 -2.587 -12.835 1.00 0.56 C ATOM 655 CG GLU A 131 14.736 -1.756 -14.070 1.00 1.27 C ATOM 656 CD GLU A 131 15.925 -0.875 -14.462 1.00 1.67 C ATOM 657 OE1 GLU A 131 16.086 0.174 -13.860 1.00 2.20 O ATOM 658 OE2 GLU A 131 16.656 -1.266 -15.358 1.00 2.26 O ATOM 0 H GLU A 131 13.058 -1.902 -11.729 1.00 0.48 H new ATOM 0 HA GLU A 131 13.671 -4.103 -13.499 1.00 0.50 H new ATOM 0 HB2 GLU A 131 15.206 -1.937 -11.967 1.00 0.56 H new ATOM 0 HB3 GLU A 131 16.056 -3.082 -12.986 1.00 0.56 H new ATOM 0 HG2 GLU A 131 14.469 -2.413 -14.898 1.00 1.27 H new ATOM 0 HG3 GLU A 131 13.864 -1.136 -13.861 1.00 1.27 H new ATOM 665 N LYS A 132 14.787 -4.442 -10.431 1.00 0.42 N ATOM 666 CA LYS A 132 15.308 -5.480 -9.490 1.00 0.43 C ATOM 667 C LYS A 132 14.238 -6.524 -9.164 1.00 0.43 C ATOM 668 O LYS A 132 14.531 -7.699 -9.038 1.00 0.48 O ATOM 669 CB LYS A 132 15.729 -4.725 -8.227 1.00 0.43 C ATOM 670 CG LYS A 132 16.980 -3.896 -8.523 1.00 1.06 C ATOM 671 CD LYS A 132 17.456 -3.212 -7.241 1.00 1.51 C ATOM 672 CE LYS A 132 18.854 -2.626 -7.464 1.00 2.06 C ATOM 673 NZ LYS A 132 19.596 -2.912 -6.204 1.00 2.50 N ATOM 0 H LYS A 132 14.655 -3.517 -10.023 1.00 0.42 H new ATOM 0 HA LYS A 132 16.142 -6.026 -9.931 1.00 0.43 H new ATOM 0 HB2 LYS A 132 14.920 -4.076 -7.892 1.00 0.43 H new ATOM 0 HB3 LYS A 132 15.929 -5.429 -7.419 1.00 0.43 H new ATOM 0 HG2 LYS A 132 17.768 -4.536 -8.920 1.00 1.06 H new ATOM 0 HG3 LYS A 132 16.762 -3.149 -9.286 1.00 1.06 H new ATOM 0 HD2 LYS A 132 16.760 -2.423 -6.957 1.00 1.51 H new ATOM 0 HD3 LYS A 132 17.477 -3.929 -6.420 1.00 1.51 H new ATOM 0 HE2 LYS A 132 19.343 -3.086 -8.323 1.00 2.06 H new ATOM 0 HE3 LYS A 132 18.807 -1.555 -7.660 1.00 2.06 H new ATOM 0 HZ1 LYS A 132 20.564 -2.540 -6.279 1.00 2.50 H new ATOM 0 HZ2 LYS A 132 19.111 -2.456 -5.405 1.00 2.50 H new ATOM 0 HZ3 LYS A 132 19.631 -3.940 -6.047 1.00 2.50 H new ATOM 687 N TYR A 133 13.012 -6.105 -8.993 1.00 0.44 N ATOM 688 CA TYR A 133 11.934 -7.073 -8.632 1.00 0.47 C ATOM 689 C TYR A 133 10.839 -7.105 -9.708 1.00 0.53 C ATOM 690 O TYR A 133 9.855 -6.400 -9.600 1.00 0.71 O ATOM 691 CB TYR A 133 11.362 -6.541 -7.319 1.00 0.59 C ATOM 692 CG TYR A 133 12.459 -6.429 -6.288 1.00 0.63 C ATOM 693 CD1 TYR A 133 13.012 -7.581 -5.719 1.00 1.42 C ATOM 694 CD2 TYR A 133 12.918 -5.165 -5.900 1.00 1.31 C ATOM 695 CE1 TYR A 133 14.026 -7.469 -4.761 1.00 1.46 C ATOM 696 CE2 TYR A 133 13.931 -5.052 -4.943 1.00 1.39 C ATOM 697 CZ TYR A 133 14.486 -6.204 -4.373 1.00 0.86 C ATOM 698 OH TYR A 133 15.486 -6.092 -3.427 1.00 1.01 O ATOM 0 H TYR A 133 12.710 -5.135 -9.088 1.00 0.44 H new ATOM 0 HA TYR A 133 12.315 -8.090 -8.545 1.00 0.47 H new ATOM 0 HB2 TYR A 133 10.903 -5.566 -7.481 1.00 0.59 H new ATOM 0 HB3 TYR A 133 10.578 -7.207 -6.958 1.00 0.59 H new ATOM 0 HD1 TYR A 133 12.657 -8.556 -6.019 1.00 1.42 H new ATOM 0 HD2 TYR A 133 12.490 -4.277 -6.340 1.00 1.31 H new ATOM 0 HE1 TYR A 133 14.454 -8.358 -4.321 1.00 1.46 H new ATOM 0 HE2 TYR A 133 14.285 -4.077 -4.644 1.00 1.39 H new ATOM 0 HH TYR A 133 15.106 -6.220 -2.533 1.00 1.01 H new ATOM 708 N PRO A 134 11.037 -7.926 -10.715 1.00 0.54 N ATOM 709 CA PRO A 134 10.039 -8.033 -11.800 1.00 0.67 C ATOM 710 C PRO A 134 8.884 -8.972 -11.414 1.00 0.54 C ATOM 711 O PRO A 134 7.898 -9.052 -12.122 1.00 0.63 O ATOM 712 CB PRO A 134 10.837 -8.616 -12.962 1.00 0.84 C ATOM 713 CG PRO A 134 11.980 -9.358 -12.339 1.00 0.80 C ATOM 714 CD PRO A 134 12.189 -8.814 -10.945 1.00 0.63 C ATOM 0 HA PRO A 134 9.574 -7.075 -12.032 1.00 0.67 H new ATOM 0 HB2 PRO A 134 10.220 -9.282 -13.565 1.00 0.84 H new ATOM 0 HB3 PRO A 134 11.196 -7.828 -13.624 1.00 0.84 H new ATOM 0 HG2 PRO A 134 11.766 -10.426 -12.303 1.00 0.80 H new ATOM 0 HG3 PRO A 134 12.884 -9.235 -12.935 1.00 0.80 H new ATOM 0 HD2 PRO A 134 12.224 -9.616 -10.208 1.00 0.63 H new ATOM 0 HD3 PRO A 134 13.130 -8.270 -10.869 1.00 0.63 H new ATOM 722 N ARG A 135 8.992 -9.696 -10.317 1.00 0.43 N ATOM 723 CA ARG A 135 7.884 -10.631 -9.940 1.00 0.43 C ATOM 724 C ARG A 135 7.688 -10.708 -8.415 1.00 0.35 C ATOM 725 O ARG A 135 6.957 -11.552 -7.930 1.00 0.45 O ATOM 726 CB ARG A 135 8.328 -11.986 -10.497 1.00 0.61 C ATOM 727 CG ARG A 135 7.144 -12.959 -10.531 1.00 0.83 C ATOM 728 CD ARG A 135 6.085 -12.442 -11.508 1.00 1.20 C ATOM 729 NE ARG A 135 5.115 -13.561 -11.654 1.00 1.41 N ATOM 730 CZ ARG A 135 4.513 -13.756 -12.796 1.00 1.82 C ATOM 731 NH1 ARG A 135 3.876 -12.774 -13.374 1.00 2.43 N ATOM 732 NH2 ARG A 135 4.551 -14.932 -13.362 1.00 2.37 N ATOM 0 H ARG A 135 9.787 -9.678 -9.679 1.00 0.43 H new ATOM 0 HA ARG A 135 6.925 -10.300 -10.339 1.00 0.43 H new ATOM 0 HB2 ARG A 135 8.733 -11.859 -11.501 1.00 0.61 H new ATOM 0 HB3 ARG A 135 9.128 -12.396 -9.880 1.00 0.61 H new ATOM 0 HG2 ARG A 135 7.482 -13.949 -10.836 1.00 0.83 H new ATOM 0 HG3 ARG A 135 6.715 -13.061 -9.534 1.00 0.83 H new ATOM 0 HD2 ARG A 135 5.598 -11.546 -11.124 1.00 1.20 H new ATOM 0 HD3 ARG A 135 6.529 -12.177 -12.468 1.00 1.20 H new ATOM 0 HE ARG A 135 4.921 -14.175 -10.863 1.00 1.41 H new ATOM 0 HH11 ARG A 135 3.849 -11.854 -12.933 1.00 2.43 H new ATOM 0 HH12 ARG A 135 3.406 -12.926 -14.266 1.00 2.43 H new ATOM 0 HH21 ARG A 135 5.051 -15.699 -12.912 1.00 2.37 H new ATOM 0 HH22 ARG A 135 4.081 -15.084 -14.254 1.00 2.37 H new ATOM 746 N SER A 136 8.315 -9.842 -7.651 1.00 0.34 N ATOM 747 CA SER A 136 8.132 -9.892 -6.167 1.00 0.27 C ATOM 748 C SER A 136 7.068 -8.896 -5.729 1.00 0.20 C ATOM 749 O SER A 136 7.267 -7.695 -5.767 1.00 0.20 O ATOM 750 CB SER A 136 9.491 -9.527 -5.578 1.00 0.32 C ATOM 751 OG SER A 136 10.151 -10.714 -5.159 1.00 1.03 O ATOM 0 H SER A 136 8.940 -9.110 -7.989 1.00 0.34 H new ATOM 0 HA SER A 136 7.799 -10.874 -5.830 1.00 0.27 H new ATOM 0 HB2 SER A 136 10.094 -9.004 -6.320 1.00 0.32 H new ATOM 0 HB3 SER A 136 9.365 -8.849 -4.734 1.00 0.32 H new ATOM 0 HG SER A 136 11.113 -10.544 -5.084 1.00 1.03 H new ATOM 757 N LEU A 137 5.940 -9.396 -5.295 1.00 0.19 N ATOM 758 CA LEU A 137 4.849 -8.496 -4.826 1.00 0.20 C ATOM 759 C LEU A 137 5.350 -7.722 -3.613 1.00 0.21 C ATOM 760 O LEU A 137 5.149 -6.533 -3.489 1.00 0.24 O ATOM 761 CB LEU A 137 3.698 -9.434 -4.428 1.00 0.23 C ATOM 762 CG LEU A 137 2.459 -8.617 -4.055 1.00 0.31 C ATOM 763 CD1 LEU A 137 1.985 -7.798 -5.269 1.00 0.47 C ATOM 764 CD2 LEU A 137 1.352 -9.581 -3.617 1.00 0.53 C ATOM 0 H LEU A 137 5.729 -10.393 -5.246 1.00 0.19 H new ATOM 0 HA LEU A 137 4.531 -7.776 -5.580 1.00 0.20 H new ATOM 0 HB2 LEU A 137 3.465 -10.107 -5.253 1.00 0.23 H new ATOM 0 HB3 LEU A 137 4.000 -10.056 -3.586 1.00 0.23 H new ATOM 0 HG LEU A 137 2.699 -7.931 -3.243 1.00 0.31 H new ATOM 0 HD11 LEU A 137 1.103 -7.219 -4.995 1.00 0.47 H new ATOM 0 HD12 LEU A 137 2.779 -7.121 -5.584 1.00 0.47 H new ATOM 0 HD13 LEU A 137 1.737 -8.473 -6.088 1.00 0.47 H new ATOM 0 HD21 LEU A 137 0.461 -9.014 -3.348 1.00 0.53 H new ATOM 0 HD22 LEU A 137 1.116 -10.260 -4.436 1.00 0.53 H new ATOM 0 HD23 LEU A 137 1.690 -10.156 -2.755 1.00 0.53 H new ATOM 776 N SER A 138 6.011 -8.412 -2.724 1.00 0.22 N ATOM 777 CA SER A 138 6.552 -7.759 -1.491 1.00 0.26 C ATOM 778 C SER A 138 7.608 -6.696 -1.823 1.00 0.22 C ATOM 779 O SER A 138 7.586 -5.601 -1.287 1.00 0.22 O ATOM 780 CB SER A 138 7.184 -8.898 -0.690 1.00 0.31 C ATOM 781 OG SER A 138 7.873 -8.355 0.427 1.00 0.40 O ATOM 0 H SER A 138 6.203 -9.411 -2.798 1.00 0.22 H new ATOM 0 HA SER A 138 5.766 -7.240 -0.942 1.00 0.26 H new ATOM 0 HB2 SER A 138 6.415 -9.594 -0.355 1.00 0.31 H new ATOM 0 HB3 SER A 138 7.873 -9.462 -1.318 1.00 0.31 H new ATOM 0 HG SER A 138 8.279 -9.081 0.945 1.00 0.40 H new ATOM 787 N GLU A 139 8.549 -7.029 -2.669 1.00 0.22 N ATOM 788 CA GLU A 139 9.642 -6.057 -3.003 1.00 0.21 C ATOM 789 C GLU A 139 9.119 -4.851 -3.781 1.00 0.20 C ATOM 790 O GLU A 139 9.555 -3.738 -3.561 1.00 0.21 O ATOM 791 CB GLU A 139 10.632 -6.813 -3.894 1.00 0.25 C ATOM 792 CG GLU A 139 11.160 -8.060 -3.180 1.00 0.40 C ATOM 793 CD GLU A 139 12.122 -7.649 -2.061 1.00 0.74 C ATOM 794 OE1 GLU A 139 12.803 -6.651 -2.225 1.00 1.39 O ATOM 795 OE2 GLU A 139 12.159 -8.343 -1.057 1.00 1.26 O ATOM 0 H GLU A 139 8.611 -7.930 -3.144 1.00 0.22 H new ATOM 0 HA GLU A 139 10.092 -5.684 -2.083 1.00 0.21 H new ATOM 0 HB2 GLU A 139 10.144 -7.100 -4.825 1.00 0.25 H new ATOM 0 HB3 GLU A 139 11.464 -6.160 -4.158 1.00 0.25 H new ATOM 0 HG2 GLU A 139 10.330 -8.632 -2.766 1.00 0.40 H new ATOM 0 HG3 GLU A 139 11.671 -8.709 -3.891 1.00 0.40 H new ATOM 802 N ARG A 140 8.213 -5.059 -4.706 1.00 0.24 N ATOM 803 CA ARG A 140 7.711 -3.908 -5.514 1.00 0.28 C ATOM 804 C ARG A 140 6.953 -2.914 -4.637 1.00 0.25 C ATOM 805 O ARG A 140 7.251 -1.734 -4.617 1.00 0.28 O ATOM 806 CB ARG A 140 6.763 -4.523 -6.556 1.00 0.38 C ATOM 807 CG ARG A 140 7.564 -5.079 -7.742 1.00 0.99 C ATOM 808 CD ARG A 140 6.617 -5.807 -8.711 1.00 0.99 C ATOM 809 NE ARG A 140 7.356 -5.876 -10.007 1.00 1.23 N ATOM 810 CZ ARG A 140 6.721 -6.172 -11.112 1.00 1.32 C ATOM 811 NH1 ARG A 140 6.001 -7.260 -11.184 1.00 1.95 N ATOM 812 NH2 ARG A 140 6.807 -5.380 -12.148 1.00 1.68 N ATOM 0 H ARG A 140 7.805 -5.966 -4.933 1.00 0.24 H new ATOM 0 HA ARG A 140 8.531 -3.359 -5.976 1.00 0.28 H new ATOM 0 HB2 ARG A 140 6.177 -5.320 -6.099 1.00 0.38 H new ATOM 0 HB3 ARG A 140 6.058 -3.769 -6.906 1.00 0.38 H new ATOM 0 HG2 ARG A 140 8.076 -4.268 -8.259 1.00 0.99 H new ATOM 0 HG3 ARG A 140 8.332 -5.765 -7.385 1.00 0.99 H new ATOM 0 HD2 ARG A 140 6.370 -6.804 -8.345 1.00 0.99 H new ATOM 0 HD3 ARG A 140 5.677 -5.267 -8.823 1.00 0.99 H new ATOM 0 HE ARG A 140 8.359 -5.692 -10.031 1.00 1.23 H new ATOM 0 HH11 ARG A 140 5.933 -7.881 -10.378 1.00 1.95 H new ATOM 0 HH12 ARG A 140 5.507 -7.488 -12.047 1.00 1.95 H new ATOM 0 HH21 ARG A 140 7.369 -4.531 -12.095 1.00 1.68 H new ATOM 0 HH22 ARG A 140 6.312 -5.611 -13.009 1.00 1.68 H new ATOM 826 N VAL A 141 5.964 -3.383 -3.942 1.00 0.22 N ATOM 827 CA VAL A 141 5.140 -2.482 -3.079 1.00 0.23 C ATOM 828 C VAL A 141 5.883 -1.933 -1.847 1.00 0.22 C ATOM 829 O VAL A 141 5.681 -0.801 -1.475 1.00 0.25 O ATOM 830 CB VAL A 141 3.948 -3.322 -2.641 1.00 0.26 C ATOM 831 CG1 VAL A 141 3.181 -3.794 -3.873 1.00 0.30 C ATOM 832 CG2 VAL A 141 4.422 -4.533 -1.843 1.00 0.25 C ATOM 0 H VAL A 141 5.682 -4.363 -3.930 1.00 0.22 H new ATOM 0 HA VAL A 141 4.861 -1.594 -3.647 1.00 0.23 H new ATOM 0 HB VAL A 141 3.297 -2.715 -2.011 1.00 0.26 H new ATOM 0 HG11 VAL A 141 2.327 -4.396 -3.562 1.00 0.30 H new ATOM 0 HG12 VAL A 141 2.830 -2.929 -4.436 1.00 0.30 H new ATOM 0 HG13 VAL A 141 3.838 -4.395 -4.502 1.00 0.30 H new ATOM 0 HG21 VAL A 141 3.561 -5.126 -1.535 1.00 0.25 H new ATOM 0 HG22 VAL A 141 5.079 -5.143 -2.463 1.00 0.25 H new ATOM 0 HG23 VAL A 141 4.965 -4.197 -0.960 1.00 0.25 H new ATOM 842 N ARG A 142 6.692 -2.723 -1.175 1.00 0.21 N ATOM 843 CA ARG A 142 7.368 -2.220 0.076 1.00 0.23 C ATOM 844 C ARG A 142 8.064 -0.869 -0.133 1.00 0.23 C ATOM 845 O ARG A 142 7.851 0.058 0.627 1.00 0.24 O ATOM 846 CB ARG A 142 8.396 -3.290 0.452 1.00 0.26 C ATOM 847 CG ARG A 142 7.747 -4.352 1.350 1.00 0.30 C ATOM 848 CD ARG A 142 8.835 -5.289 1.894 1.00 1.21 C ATOM 849 NE ARG A 142 8.105 -6.351 2.644 1.00 1.51 N ATOM 850 CZ ARG A 142 8.050 -6.315 3.949 1.00 1.91 C ATOM 851 NH1 ARG A 142 9.139 -6.131 4.646 1.00 2.21 N ATOM 852 NH2 ARG A 142 6.905 -6.467 4.558 1.00 2.67 N ATOM 0 H ARG A 142 6.914 -3.685 -1.432 1.00 0.21 H new ATOM 0 HA ARG A 142 6.630 -2.054 0.861 1.00 0.23 H new ATOM 0 HB2 ARG A 142 8.792 -3.758 -0.449 1.00 0.26 H new ATOM 0 HB3 ARG A 142 9.238 -2.830 0.969 1.00 0.26 H new ATOM 0 HG2 ARG A 142 7.217 -3.874 2.174 1.00 0.30 H new ATOM 0 HG3 ARG A 142 7.009 -4.922 0.785 1.00 0.30 H new ATOM 0 HD2 ARG A 142 9.426 -5.716 1.084 1.00 1.21 H new ATOM 0 HD3 ARG A 142 9.526 -4.753 2.545 1.00 1.21 H new ATOM 0 HE ARG A 142 7.647 -7.108 2.137 1.00 1.51 H new ATOM 0 HH11 ARG A 142 10.035 -6.015 4.172 1.00 2.21 H new ATOM 0 HH12 ARG A 142 9.094 -6.103 5.665 1.00 2.21 H new ATOM 0 HH21 ARG A 142 6.054 -6.614 4.015 1.00 2.67 H new ATOM 0 HH22 ARG A 142 6.862 -6.439 5.577 1.00 2.67 H new ATOM 866 N GLU A 143 8.885 -0.743 -1.140 1.00 0.24 N ATOM 867 CA GLU A 143 9.578 0.565 -1.372 1.00 0.27 C ATOM 868 C GLU A 143 8.548 1.667 -1.659 1.00 0.26 C ATOM 869 O GLU A 143 8.569 2.730 -1.062 1.00 0.27 O ATOM 870 CB GLU A 143 10.479 0.325 -2.587 1.00 0.33 C ATOM 871 CG GLU A 143 11.265 1.598 -2.926 1.00 0.35 C ATOM 872 CD GLU A 143 12.710 1.460 -2.432 1.00 1.08 C ATOM 873 OE1 GLU A 143 12.908 0.810 -1.418 1.00 1.86 O ATOM 874 OE2 GLU A 143 13.592 1.995 -3.083 1.00 1.77 O ATOM 0 H GLU A 143 9.107 -1.480 -1.809 1.00 0.24 H new ATOM 0 HA GLU A 143 10.151 0.893 -0.505 1.00 0.27 H new ATOM 0 HB2 GLU A 143 11.169 -0.493 -2.381 1.00 0.33 H new ATOM 0 HB3 GLU A 143 9.875 0.024 -3.443 1.00 0.33 H new ATOM 0 HG2 GLU A 143 11.253 1.768 -4.003 1.00 0.35 H new ATOM 0 HG3 GLU A 143 10.793 2.463 -2.461 1.00 0.35 H new ATOM 881 N SER A 144 7.645 1.409 -2.567 1.00 0.25 N ATOM 882 CA SER A 144 6.596 2.422 -2.912 1.00 0.26 C ATOM 883 C SER A 144 5.698 2.709 -1.699 1.00 0.25 C ATOM 884 O SER A 144 5.321 3.840 -1.444 1.00 0.27 O ATOM 885 CB SER A 144 5.790 1.785 -4.045 1.00 0.30 C ATOM 886 OG SER A 144 6.646 1.553 -5.154 1.00 1.33 O ATOM 0 H SER A 144 7.586 0.535 -3.090 1.00 0.25 H new ATOM 0 HA SER A 144 7.030 3.378 -3.206 1.00 0.26 H new ATOM 0 HB2 SER A 144 5.347 0.847 -3.710 1.00 0.30 H new ATOM 0 HB3 SER A 144 4.968 2.440 -4.335 1.00 0.30 H new ATOM 0 HG SER A 144 6.307 2.037 -5.936 1.00 1.33 H new ATOM 892 N LEU A 145 5.356 1.689 -0.952 1.00 0.23 N ATOM 893 CA LEU A 145 4.486 1.886 0.245 1.00 0.24 C ATOM 894 C LEU A 145 5.247 2.682 1.302 1.00 0.24 C ATOM 895 O LEU A 145 4.681 3.474 2.027 1.00 0.26 O ATOM 896 CB LEU A 145 4.187 0.483 0.791 1.00 0.26 C ATOM 897 CG LEU A 145 3.257 -0.288 -0.151 1.00 0.35 C ATOM 898 CD1 LEU A 145 3.245 -1.762 0.253 1.00 0.83 C ATOM 899 CD2 LEU A 145 1.836 0.264 -0.038 1.00 0.73 C ATOM 0 H LEU A 145 5.644 0.725 -1.122 1.00 0.23 H new ATOM 0 HA LEU A 145 3.574 2.426 -0.009 1.00 0.24 H new ATOM 0 HB2 LEU A 145 5.119 -0.068 0.918 1.00 0.26 H new ATOM 0 HB3 LEU A 145 3.727 0.563 1.776 1.00 0.26 H new ATOM 0 HG LEU A 145 3.612 -0.180 -1.176 1.00 0.35 H new ATOM 0 HD11 LEU A 145 2.585 -2.317 -0.414 1.00 0.83 H new ATOM 0 HD12 LEU A 145 4.255 -2.167 0.183 1.00 0.83 H new ATOM 0 HD13 LEU A 145 2.887 -1.855 1.278 1.00 0.83 H new ATOM 0 HD21 LEU A 145 1.177 -0.287 -0.709 1.00 0.73 H new ATOM 0 HD22 LEU A 145 1.483 0.154 0.987 1.00 0.73 H new ATOM 0 HD23 LEU A 145 1.833 1.319 -0.311 1.00 0.73 H new ATOM 911 N LYS A 146 6.530 2.450 1.402 1.00 0.25 N ATOM 912 CA LYS A 146 7.353 3.156 2.429 1.00 0.27 C ATOM 913 C LYS A 146 7.293 4.674 2.224 1.00 0.25 C ATOM 914 O LYS A 146 7.052 5.420 3.154 1.00 0.28 O ATOM 915 CB LYS A 146 8.779 2.649 2.196 1.00 0.30 C ATOM 916 CG LYS A 146 9.689 3.103 3.335 1.00 0.80 C ATOM 917 CD LYS A 146 11.106 2.585 3.078 1.00 0.99 C ATOM 918 CE LYS A 146 11.925 2.658 4.367 1.00 1.93 C ATOM 919 NZ LYS A 146 13.342 2.539 3.925 1.00 2.25 N ATOM 0 H LYS A 146 7.046 1.797 0.812 1.00 0.25 H new ATOM 0 HA LYS A 146 6.998 2.962 3.441 1.00 0.27 H new ATOM 0 HB2 LYS A 146 8.780 1.561 2.130 1.00 0.30 H new ATOM 0 HB3 LYS A 146 9.157 3.026 1.246 1.00 0.30 H new ATOM 0 HG2 LYS A 146 9.693 4.191 3.403 1.00 0.80 H new ATOM 0 HG3 LYS A 146 9.317 2.725 4.287 1.00 0.80 H new ATOM 0 HD2 LYS A 146 11.068 1.557 2.718 1.00 0.99 H new ATOM 0 HD3 LYS A 146 11.584 3.178 2.298 1.00 0.99 H new ATOM 0 HE2 LYS A 146 11.752 3.597 4.893 1.00 1.93 H new ATOM 0 HE3 LYS A 146 11.656 1.855 5.053 1.00 1.93 H new ATOM 0 HZ1 LYS A 146 13.969 2.580 4.754 1.00 2.25 H new ATOM 0 HZ2 LYS A 146 13.477 1.633 3.433 1.00 2.25 H new ATOM 0 HZ3 LYS A 146 13.571 3.321 3.279 1.00 2.25 H new ATOM 933 N VAL A 147 7.523 5.140 1.022 1.00 0.24 N ATOM 934 CA VAL A 147 7.483 6.619 0.783 1.00 0.25 C ATOM 935 C VAL A 147 6.070 7.184 0.985 1.00 0.24 C ATOM 936 O VAL A 147 5.905 8.252 1.545 1.00 0.25 O ATOM 937 CB VAL A 147 7.972 6.841 -0.654 1.00 0.28 C ATOM 938 CG1 VAL A 147 9.432 6.402 -0.760 1.00 0.30 C ATOM 939 CG2 VAL A 147 7.126 6.044 -1.657 1.00 0.29 C ATOM 0 H VAL A 147 7.735 4.570 0.203 1.00 0.24 H new ATOM 0 HA VAL A 147 8.119 7.143 1.497 1.00 0.25 H new ATOM 0 HB VAL A 147 7.877 7.900 -0.892 1.00 0.28 H new ATOM 0 HG11 VAL A 147 9.786 6.557 -1.779 1.00 0.30 H new ATOM 0 HG12 VAL A 147 10.040 6.990 -0.072 1.00 0.30 H new ATOM 0 HG13 VAL A 147 9.514 5.345 -0.505 1.00 0.30 H new ATOM 0 HG21 VAL A 147 7.496 6.221 -2.667 1.00 0.29 H new ATOM 0 HG22 VAL A 147 7.194 4.981 -1.427 1.00 0.29 H new ATOM 0 HG23 VAL A 147 6.086 6.363 -1.590 1.00 0.29 H new ATOM 949 N TRP A 148 5.054 6.486 0.542 1.00 0.24 N ATOM 950 CA TRP A 148 3.660 7.005 0.725 1.00 0.25 C ATOM 951 C TRP A 148 3.306 7.047 2.224 1.00 0.22 C ATOM 952 O TRP A 148 2.876 8.067 2.732 1.00 0.24 O ATOM 953 CB TRP A 148 2.758 6.036 -0.081 1.00 0.30 C ATOM 954 CG TRP A 148 1.360 5.983 0.482 1.00 0.27 C ATOM 955 CD1 TRP A 148 0.538 7.044 0.665 1.00 0.29 C ATOM 956 CD2 TRP A 148 0.631 4.816 0.946 1.00 0.28 C ATOM 957 NE1 TRP A 148 -0.645 6.595 1.241 1.00 0.27 N ATOM 958 CE2 TRP A 148 -0.634 5.224 1.428 1.00 0.25 C ATOM 959 CE3 TRP A 148 0.952 3.455 0.997 1.00 0.38 C ATOM 960 CZ2 TRP A 148 -1.546 4.296 1.949 1.00 0.28 C ATOM 961 CZ3 TRP A 148 0.039 2.527 1.509 1.00 0.45 C ATOM 962 CH2 TRP A 148 -1.203 2.948 1.987 1.00 0.38 C ATOM 0 H TRP A 148 5.126 5.587 0.065 1.00 0.24 H new ATOM 0 HA TRP A 148 3.532 8.027 0.367 1.00 0.25 H new ATOM 0 HB2 TRP A 148 2.720 6.355 -1.123 1.00 0.30 H new ATOM 0 HB3 TRP A 148 3.194 5.037 -0.069 1.00 0.30 H new ATOM 0 HD1 TRP A 148 0.764 8.068 0.407 1.00 0.29 H new ATOM 0 HE1 TRP A 148 -1.425 7.201 1.495 1.00 0.27 H new ATOM 0 HE3 TRP A 148 1.913 3.118 0.638 1.00 0.38 H new ATOM 0 HZ2 TRP A 148 -2.507 4.624 2.318 1.00 0.28 H new ATOM 0 HZ3 TRP A 148 0.297 1.478 1.535 1.00 0.45 H new ATOM 0 HH2 TRP A 148 -1.899 2.226 2.387 1.00 0.38 H new ATOM 973 N LYS A 149 3.470 5.952 2.928 1.00 0.21 N ATOM 974 CA LYS A 149 3.121 5.949 4.382 1.00 0.23 C ATOM 975 C LYS A 149 3.963 6.992 5.137 1.00 0.24 C ATOM 976 O LYS A 149 3.487 7.632 6.056 1.00 0.27 O ATOM 977 CB LYS A 149 3.379 4.518 4.887 1.00 0.31 C ATOM 978 CG LYS A 149 4.878 4.211 4.926 1.00 0.89 C ATOM 979 CD LYS A 149 5.094 2.746 5.331 1.00 0.90 C ATOM 980 CE LYS A 149 6.071 2.672 6.507 1.00 1.30 C ATOM 981 NZ LYS A 149 7.402 2.419 5.890 1.00 1.88 N ATOM 0 H LYS A 149 3.827 5.069 2.562 1.00 0.21 H new ATOM 0 HA LYS A 149 2.080 6.223 4.551 1.00 0.23 H new ATOM 0 HB2 LYS A 149 2.954 4.398 5.883 1.00 0.31 H new ATOM 0 HB3 LYS A 149 2.875 3.803 4.237 1.00 0.31 H new ATOM 0 HG2 LYS A 149 5.323 4.398 3.949 1.00 0.89 H new ATOM 0 HG3 LYS A 149 5.376 4.872 5.635 1.00 0.89 H new ATOM 0 HD2 LYS A 149 4.143 2.291 5.608 1.00 0.90 H new ATOM 0 HD3 LYS A 149 5.484 2.179 4.486 1.00 0.90 H new ATOM 0 HE2 LYS A 149 6.071 3.600 7.078 1.00 1.30 H new ATOM 0 HE3 LYS A 149 5.798 1.873 7.197 1.00 1.30 H new ATOM 0 HZ1 LYS A 149 8.066 2.090 6.620 1.00 1.88 H new ATOM 0 HZ2 LYS A 149 7.310 1.692 5.152 1.00 1.88 H new ATOM 0 HZ3 LYS A 149 7.761 3.298 5.467 1.00 1.88 H new ATOM 995 N ASN A 150 5.207 7.172 4.750 1.00 0.27 N ATOM 996 CA ASN A 150 6.072 8.183 5.441 1.00 0.31 C ATOM 997 C ASN A 150 5.455 9.579 5.319 1.00 0.34 C ATOM 998 O ASN A 150 5.391 10.325 6.278 1.00 0.39 O ATOM 999 CB ASN A 150 7.426 8.115 4.721 1.00 0.36 C ATOM 1000 CG ASN A 150 8.382 9.173 5.287 1.00 0.81 C ATOM 1001 OD1 ASN A 150 8.488 10.258 4.750 1.00 1.63 O ATOM 1002 ND2 ASN A 150 9.086 8.905 6.352 1.00 0.87 N ATOM 0 H ASN A 150 5.658 6.664 3.989 1.00 0.27 H new ATOM 0 HA ASN A 150 6.175 7.979 6.507 1.00 0.31 H new ATOM 0 HB2 ASN A 150 7.860 7.122 4.840 1.00 0.36 H new ATOM 0 HB3 ASN A 150 7.286 8.276 3.652 1.00 0.36 H new ATOM 0 HD21 ASN A 150 9.723 9.605 6.732 1.00 0.87 H new ATOM 0 HD22 ASN A 150 8.999 7.995 6.805 1.00 0.87 H new ATOM 1009 N ALA A 151 4.998 9.933 4.144 1.00 0.33 N ATOM 1010 CA ALA A 151 4.383 11.281 3.959 1.00 0.39 C ATOM 1011 C ALA A 151 3.060 11.357 4.721 1.00 0.40 C ATOM 1012 O ALA A 151 2.770 12.343 5.374 1.00 0.54 O ATOM 1013 CB ALA A 151 4.145 11.418 2.455 1.00 0.43 C ATOM 0 H ALA A 151 5.024 9.349 3.308 1.00 0.33 H new ATOM 0 HA ALA A 151 5.021 12.080 4.337 1.00 0.39 H new ATOM 0 HB1 ALA A 151 3.694 12.388 2.245 1.00 0.43 H new ATOM 0 HB2 ALA A 151 5.096 11.338 1.927 1.00 0.43 H new ATOM 0 HB3 ALA A 151 3.476 10.626 2.119 1.00 0.43 H new ATOM 1019 N GLU A 152 2.265 10.319 4.651 1.00 0.36 N ATOM 1020 CA GLU A 152 0.964 10.319 5.379 1.00 0.41 C ATOM 1021 C GLU A 152 1.187 10.147 6.884 1.00 0.47 C ATOM 1022 O GLU A 152 1.688 9.131 7.334 1.00 1.26 O ATOM 1023 CB GLU A 152 0.186 9.127 4.809 1.00 0.50 C ATOM 1024 CG GLU A 152 -0.776 9.603 3.712 1.00 0.94 C ATOM 1025 CD GLU A 152 0.011 10.204 2.544 1.00 1.35 C ATOM 1026 OE1 GLU A 152 1.125 9.767 2.316 1.00 2.04 O ATOM 1027 OE2 GLU A 152 -0.521 11.090 1.895 1.00 2.02 O ATOM 0 H GLU A 152 2.463 9.471 4.120 1.00 0.36 H new ATOM 0 HA GLU A 152 0.425 11.258 5.249 1.00 0.41 H new ATOM 0 HB2 GLU A 152 0.879 8.391 4.402 1.00 0.50 H new ATOM 0 HB3 GLU A 152 -0.372 8.633 5.604 1.00 0.50 H new ATOM 0 HG2 GLU A 152 -1.381 8.767 3.361 1.00 0.94 H new ATOM 0 HG3 GLU A 152 -1.463 10.346 4.118 1.00 0.94 H new ATOM 1034 N LYS A 153 0.793 11.118 7.666 1.00 0.63 N ATOM 1035 CA LYS A 153 0.951 11.001 9.146 1.00 0.54 C ATOM 1036 C LYS A 153 -0.313 10.347 9.723 1.00 0.48 C ATOM 1037 O LYS A 153 -0.337 9.156 9.974 1.00 0.41 O ATOM 1038 CB LYS A 153 1.118 12.439 9.651 1.00 0.71 C ATOM 1039 CG LYS A 153 2.560 12.904 9.427 1.00 1.55 C ATOM 1040 CD LYS A 153 2.693 14.370 9.853 1.00 1.90 C ATOM 1041 CE LYS A 153 4.168 14.713 10.083 1.00 2.87 C ATOM 1042 NZ LYS A 153 4.180 16.174 10.372 1.00 3.07 N ATOM 0 H LYS A 153 0.368 11.988 7.343 1.00 0.63 H new ATOM 0 HA LYS A 153 1.802 10.388 9.443 1.00 0.54 H new ATOM 0 HB2 LYS A 153 0.428 13.100 9.128 1.00 0.71 H new ATOM 0 HB3 LYS A 153 0.869 12.493 10.711 1.00 0.71 H new ATOM 0 HG2 LYS A 153 3.248 12.283 10.001 1.00 1.55 H new ATOM 0 HG3 LYS A 153 2.831 12.793 8.377 1.00 1.55 H new ATOM 0 HD2 LYS A 153 2.275 15.021 9.085 1.00 1.90 H new ATOM 0 HD3 LYS A 153 2.123 14.546 10.765 1.00 1.90 H new ATOM 0 HE2 LYS A 153 4.582 14.142 10.914 1.00 2.87 H new ATOM 0 HE3 LYS A 153 4.770 14.479 9.205 1.00 2.87 H new ATOM 0 HZ1 LYS A 153 5.157 16.486 10.541 1.00 3.07 H new ATOM 0 HZ2 LYS A 153 3.787 16.692 9.560 1.00 3.07 H new ATOM 0 HZ3 LYS A 153 3.604 16.366 11.217 1.00 3.07 H new ATOM 1056 N LYS A 154 -1.372 11.104 9.897 1.00 0.58 N ATOM 1057 CA LYS A 154 -2.645 10.510 10.413 1.00 0.61 C ATOM 1058 C LYS A 154 -3.223 9.563 9.361 1.00 0.55 C ATOM 1059 O LYS A 154 -3.849 8.562 9.675 1.00 0.54 O ATOM 1060 CB LYS A 154 -3.592 11.688 10.654 1.00 0.78 C ATOM 1061 CG LYS A 154 -3.283 12.334 12.007 1.00 1.39 C ATOM 1062 CD LYS A 154 -4.382 13.345 12.345 1.00 1.76 C ATOM 1063 CE LYS A 154 -4.013 14.108 13.620 1.00 2.37 C ATOM 1064 NZ LYS A 154 -5.216 14.932 13.932 1.00 2.84 N ATOM 0 H LYS A 154 -1.408 12.105 9.704 1.00 0.58 H new ATOM 0 HA LYS A 154 -2.492 9.938 11.328 1.00 0.61 H new ATOM 0 HB2 LYS A 154 -3.483 12.423 9.857 1.00 0.78 H new ATOM 0 HB3 LYS A 154 -4.626 11.345 10.632 1.00 0.78 H new ATOM 0 HG2 LYS A 154 -3.223 11.571 12.783 1.00 1.39 H new ATOM 0 HG3 LYS A 154 -2.313 12.831 11.973 1.00 1.39 H new ATOM 0 HD2 LYS A 154 -4.513 14.043 11.518 1.00 1.76 H new ATOM 0 HD3 LYS A 154 -5.333 12.830 12.481 1.00 1.76 H new ATOM 0 HE2 LYS A 154 -3.779 13.425 14.436 1.00 2.37 H new ATOM 0 HE3 LYS A 154 -3.134 14.734 13.466 1.00 2.37 H new ATOM 0 HZ1 LYS A 154 -5.043 15.486 14.795 1.00 2.84 H new ATOM 0 HZ2 LYS A 154 -5.410 15.577 13.139 1.00 2.84 H new ATOM 0 HZ3 LYS A 154 -6.035 14.308 14.080 1.00 2.84 H new ATOM 1078 N ASN A 155 -2.994 9.863 8.106 1.00 0.55 N ATOM 1079 CA ASN A 155 -3.515 8.985 7.019 1.00 0.55 C ATOM 1080 C ASN A 155 -2.671 7.709 6.905 1.00 0.41 C ATOM 1081 O ASN A 155 -2.969 6.840 6.105 1.00 0.42 O ATOM 1082 CB ASN A 155 -3.414 9.818 5.741 1.00 0.68 C ATOM 1083 CG ASN A 155 -4.634 10.733 5.631 1.00 0.87 C ATOM 1084 OD1 ASN A 155 -5.048 11.329 6.604 1.00 1.84 O ATOM 1085 ND2 ASN A 155 -5.230 10.871 4.478 1.00 1.26 N ATOM 0 H ASN A 155 -2.469 10.678 7.790 1.00 0.55 H new ATOM 0 HA ASN A 155 -4.539 8.665 7.211 1.00 0.55 H new ATOM 0 HB2 ASN A 155 -2.500 10.412 5.753 1.00 0.68 H new ATOM 0 HB3 ASN A 155 -3.357 9.164 4.871 1.00 0.68 H new ATOM 0 HD21 ASN A 155 -6.044 11.480 4.394 1.00 1.26 H new ATOM 0 HD22 ASN A 155 -4.882 10.370 3.661 1.00 1.26 H new ATOM 1092 N ALA A 156 -1.643 7.564 7.719 1.00 0.35 N ATOM 1093 CA ALA A 156 -0.829 6.319 7.665 1.00 0.30 C ATOM 1094 C ALA A 156 -1.655 5.145 8.203 1.00 0.29 C ATOM 1095 O ALA A 156 -1.257 4.001 8.080 1.00 0.35 O ATOM 1096 CB ALA A 156 0.359 6.551 8.592 1.00 0.31 C ATOM 0 H ALA A 156 -1.342 8.253 8.409 1.00 0.35 H new ATOM 0 HA ALA A 156 -0.515 6.091 6.646 1.00 0.30 H new ATOM 0 HB1 ALA A 156 0.997 5.667 8.595 1.00 0.31 H new ATOM 0 HB2 ALA A 156 0.931 7.410 8.242 1.00 0.31 H new ATOM 0 HB3 ALA A 156 -0.000 6.742 9.603 1.00 0.31 H new ATOM 1102 N SER A 157 -2.804 5.411 8.800 1.00 0.31 N ATOM 1103 CA SER A 157 -3.631 4.293 9.330 1.00 0.36 C ATOM 1104 C SER A 157 -4.513 3.748 8.216 1.00 0.30 C ATOM 1105 O SER A 157 -4.641 4.343 7.147 1.00 0.28 O ATOM 1106 CB SER A 157 -4.493 4.893 10.442 1.00 0.45 C ATOM 1107 OG SER A 157 -4.865 6.220 10.091 1.00 0.47 O ATOM 0 H SER A 157 -3.191 6.345 8.936 1.00 0.31 H new ATOM 0 HA SER A 157 -3.018 3.474 9.707 1.00 0.36 H new ATOM 0 HB2 SER A 157 -5.383 4.283 10.596 1.00 0.45 H new ATOM 0 HB3 SER A 157 -3.942 4.895 11.383 1.00 0.45 H new ATOM 0 HG SER A 157 -4.143 6.837 10.333 1.00 0.47 H new ATOM 1113 N VAL A 158 -5.119 2.616 8.446 1.00 0.29 N ATOM 1114 CA VAL A 158 -5.985 2.021 7.396 1.00 0.27 C ATOM 1115 C VAL A 158 -7.121 2.976 7.049 1.00 0.24 C ATOM 1116 O VAL A 158 -7.405 3.185 5.897 1.00 0.24 O ATOM 1117 CB VAL A 158 -6.522 0.712 7.970 1.00 0.30 C ATOM 1118 CG1 VAL A 158 -5.354 -0.221 8.287 1.00 0.36 C ATOM 1119 CG2 VAL A 158 -7.325 0.973 9.248 1.00 0.29 C ATOM 0 H VAL A 158 -5.051 2.081 9.312 1.00 0.29 H new ATOM 0 HA VAL A 158 -5.431 1.838 6.475 1.00 0.27 H new ATOM 0 HB VAL A 158 -7.178 0.250 7.232 1.00 0.30 H new ATOM 0 HG11 VAL A 158 -5.736 -1.156 8.697 1.00 0.36 H new ATOM 0 HG12 VAL A 158 -4.795 -0.427 7.374 1.00 0.36 H new ATOM 0 HG13 VAL A 158 -4.697 0.253 9.016 1.00 0.36 H new ATOM 0 HG21 VAL A 158 -7.699 0.028 9.642 1.00 0.29 H new ATOM 0 HG22 VAL A 158 -6.683 1.447 9.991 1.00 0.29 H new ATOM 0 HG23 VAL A 158 -8.165 1.630 9.022 1.00 0.29 H new ATOM 1129 N ALA A 159 -7.747 3.586 8.037 1.00 0.25 N ATOM 1130 CA ALA A 159 -8.865 4.559 7.763 1.00 0.27 C ATOM 1131 C ALA A 159 -8.476 5.507 6.634 1.00 0.27 C ATOM 1132 O ALA A 159 -9.299 5.907 5.830 1.00 0.28 O ATOM 1133 CB ALA A 159 -9.053 5.336 9.065 1.00 0.30 C ATOM 0 H ALA A 159 -7.531 3.451 9.025 1.00 0.25 H new ATOM 0 HA ALA A 159 -9.780 4.052 7.456 1.00 0.27 H new ATOM 0 HB1 ALA A 159 -9.853 6.065 8.941 1.00 0.30 H new ATOM 0 HB2 ALA A 159 -9.313 4.645 9.867 1.00 0.30 H new ATOM 0 HB3 ALA A 159 -8.127 5.853 9.317 1.00 0.30 H new ATOM 1139 N GLY A 160 -7.211 5.821 6.548 1.00 0.27 N ATOM 1140 CA GLY A 160 -6.745 6.700 5.447 1.00 0.29 C ATOM 1141 C GLY A 160 -6.814 5.930 4.134 1.00 0.28 C ATOM 1142 O GLY A 160 -7.584 6.266 3.252 1.00 0.30 O ATOM 0 H GLY A 160 -6.486 5.506 7.192 1.00 0.27 H new ATOM 0 HA2 GLY A 160 -7.365 7.595 5.392 1.00 0.29 H new ATOM 0 HA3 GLY A 160 -5.724 7.031 5.636 1.00 0.29 H new ATOM 1146 N LEU A 161 -6.003 4.911 3.986 1.00 0.27 N ATOM 1147 CA LEU A 161 -6.021 4.138 2.706 1.00 0.28 C ATOM 1148 C LEU A 161 -7.373 3.442 2.450 1.00 0.28 C ATOM 1149 O LEU A 161 -7.845 3.429 1.330 1.00 0.35 O ATOM 1150 CB LEU A 161 -4.920 3.088 2.828 1.00 0.29 C ATOM 1151 CG LEU A 161 -4.807 2.345 1.490 1.00 0.32 C ATOM 1152 CD1 LEU A 161 -3.964 3.158 0.501 1.00 0.34 C ATOM 1153 CD2 LEU A 161 -4.179 0.966 1.720 1.00 0.33 C ATOM 0 H LEU A 161 -5.337 4.584 4.687 1.00 0.27 H new ATOM 0 HA LEU A 161 -5.865 4.816 1.867 1.00 0.28 H new ATOM 0 HB2 LEU A 161 -3.971 3.561 3.080 1.00 0.29 H new ATOM 0 HB3 LEU A 161 -5.151 2.389 3.632 1.00 0.29 H new ATOM 0 HG LEU A 161 -5.803 2.216 1.066 1.00 0.32 H new ATOM 0 HD11 LEU A 161 -3.892 2.620 -0.444 1.00 0.34 H new ATOM 0 HD12 LEU A 161 -4.435 4.126 0.332 1.00 0.34 H new ATOM 0 HD13 LEU A 161 -2.965 3.307 0.911 1.00 0.34 H new ATOM 0 HD21 LEU A 161 -4.099 0.439 0.769 1.00 0.33 H new ATOM 0 HD22 LEU A 161 -3.186 1.086 2.153 1.00 0.33 H new ATOM 0 HD23 LEU A 161 -4.805 0.390 2.402 1.00 0.33 H new ATOM 1165 N VAL A 162 -7.979 2.817 3.442 1.00 0.23 N ATOM 1166 CA VAL A 162 -9.265 2.087 3.177 1.00 0.25 C ATOM 1167 C VAL A 162 -10.314 3.049 2.652 1.00 0.26 C ATOM 1168 O VAL A 162 -11.053 2.733 1.737 1.00 0.29 O ATOM 1169 CB VAL A 162 -9.705 1.444 4.500 1.00 0.26 C ATOM 1170 CG1 VAL A 162 -8.597 0.521 5.006 1.00 0.29 C ATOM 1171 CG2 VAL A 162 -10.025 2.498 5.567 1.00 0.26 C ATOM 0 H VAL A 162 -7.645 2.782 4.405 1.00 0.23 H new ATOM 0 HA VAL A 162 -9.131 1.317 2.417 1.00 0.25 H new ATOM 0 HB VAL A 162 -10.615 0.875 4.313 1.00 0.26 H new ATOM 0 HG11 VAL A 162 -8.906 0.063 5.945 1.00 0.29 H new ATOM 0 HG12 VAL A 162 -8.407 -0.258 4.268 1.00 0.29 H new ATOM 0 HG13 VAL A 162 -7.687 1.099 5.166 1.00 0.29 H new ATOM 0 HG21 VAL A 162 -10.332 2.002 6.488 1.00 0.26 H new ATOM 0 HG22 VAL A 162 -9.138 3.102 5.759 1.00 0.26 H new ATOM 0 HG23 VAL A 162 -10.832 3.140 5.214 1.00 0.26 H new ATOM 1181 N LYS A 163 -10.362 4.228 3.196 1.00 0.26 N ATOM 1182 CA LYS A 163 -11.342 5.232 2.697 1.00 0.29 C ATOM 1183 C LYS A 163 -11.059 5.524 1.221 1.00 0.30 C ATOM 1184 O LYS A 163 -11.917 5.409 0.370 1.00 0.30 O ATOM 1185 CB LYS A 163 -11.097 6.479 3.547 1.00 0.31 C ATOM 1186 CG LYS A 163 -12.150 7.534 3.219 1.00 0.37 C ATOM 1187 CD LYS A 163 -11.903 8.774 4.076 1.00 0.93 C ATOM 1188 CE LYS A 163 -12.960 9.834 3.761 1.00 1.41 C ATOM 1189 NZ LYS A 163 -12.403 11.101 4.310 1.00 2.03 N ATOM 0 H LYS A 163 -9.768 4.542 3.963 1.00 0.26 H new ATOM 0 HA LYS A 163 -12.374 4.890 2.772 1.00 0.29 H new ATOM 0 HB2 LYS A 163 -11.140 6.224 4.606 1.00 0.31 H new ATOM 0 HB3 LYS A 163 -10.099 6.873 3.354 1.00 0.31 H new ATOM 0 HG2 LYS A 163 -12.105 7.793 2.161 1.00 0.37 H new ATOM 0 HG3 LYS A 163 -13.148 7.140 3.408 1.00 0.37 H new ATOM 0 HD2 LYS A 163 -11.941 8.511 5.133 1.00 0.93 H new ATOM 0 HD3 LYS A 163 -10.906 9.170 3.881 1.00 0.93 H new ATOM 0 HE2 LYS A 163 -13.135 9.911 2.688 1.00 1.41 H new ATOM 0 HE3 LYS A 163 -13.916 9.589 4.223 1.00 1.41 H new ATOM 0 HZ1 LYS A 163 -13.071 11.879 4.134 1.00 2.03 H new ATOM 0 HZ2 LYS A 163 -12.253 10.999 5.334 1.00 2.03 H new ATOM 0 HZ3 LYS A 163 -11.496 11.311 3.846 1.00 2.03 H new ATOM 1203 N ALA A 164 -9.843 5.898 0.931 1.00 0.35 N ATOM 1204 CA ALA A 164 -9.448 6.215 -0.476 1.00 0.40 C ATOM 1205 C ALA A 164 -9.476 4.987 -1.398 1.00 0.34 C ATOM 1206 O ALA A 164 -10.056 5.026 -2.469 1.00 0.32 O ATOM 1207 CB ALA A 164 -8.024 6.764 -0.373 1.00 0.52 C ATOM 0 H ALA A 164 -9.095 5.999 1.617 1.00 0.35 H new ATOM 0 HA ALA A 164 -10.150 6.922 -0.918 1.00 0.40 H new ATOM 0 HB1 ALA A 164 -7.660 7.021 -1.368 1.00 0.52 H new ATOM 0 HB2 ALA A 164 -8.022 7.654 0.256 1.00 0.52 H new ATOM 0 HB3 ALA A 164 -7.373 6.008 0.067 1.00 0.52 H new ATOM 1213 N LEU A 165 -8.807 3.921 -1.021 1.00 0.40 N ATOM 1214 CA LEU A 165 -8.744 2.721 -1.916 1.00 0.43 C ATOM 1215 C LEU A 165 -10.132 2.146 -2.220 1.00 0.32 C ATOM 1216 O LEU A 165 -10.398 1.757 -3.344 1.00 0.34 O ATOM 1217 CB LEU A 165 -7.813 1.698 -1.213 1.00 0.69 C ATOM 1218 CG LEU A 165 -8.493 0.973 -0.032 1.00 0.59 C ATOM 1219 CD1 LEU A 165 -9.295 -0.225 -0.537 1.00 1.60 C ATOM 1220 CD2 LEU A 165 -7.410 0.438 0.916 1.00 0.94 C ATOM 0 H LEU A 165 -8.305 3.831 -0.138 1.00 0.40 H new ATOM 0 HA LEU A 165 -8.345 2.989 -2.894 1.00 0.43 H new ATOM 0 HB2 LEU A 165 -7.479 0.959 -1.941 1.00 0.69 H new ATOM 0 HB3 LEU A 165 -6.923 2.214 -0.851 1.00 0.69 H new ATOM 0 HG LEU A 165 -9.152 1.677 0.476 1.00 0.59 H new ATOM 0 HD11 LEU A 165 -9.769 -0.727 0.306 1.00 1.60 H new ATOM 0 HD12 LEU A 165 -10.061 0.117 -1.233 1.00 1.60 H new ATOM 0 HD13 LEU A 165 -8.628 -0.921 -1.045 1.00 1.60 H new ATOM 0 HD21 LEU A 165 -7.881 -0.076 1.754 1.00 0.94 H new ATOM 0 HD22 LEU A 165 -6.767 -0.259 0.378 1.00 0.94 H new ATOM 0 HD23 LEU A 165 -6.811 1.269 1.290 1.00 0.94 H new ATOM 1232 N ARG A 166 -11.012 2.079 -1.255 1.00 0.30 N ATOM 1233 CA ARG A 166 -12.372 1.513 -1.534 1.00 0.34 C ATOM 1234 C ARG A 166 -13.202 2.483 -2.373 1.00 0.32 C ATOM 1235 O ARG A 166 -13.902 2.085 -3.287 1.00 0.39 O ATOM 1236 CB ARG A 166 -13.002 1.280 -0.157 1.00 0.43 C ATOM 1237 CG ARG A 166 -14.438 0.769 -0.313 1.00 1.07 C ATOM 1238 CD ARG A 166 -15.045 0.522 1.071 1.00 1.15 C ATOM 1239 NE ARG A 166 -16.404 1.131 1.018 1.00 1.71 N ATOM 1240 CZ ARG A 166 -17.067 1.337 2.122 1.00 1.91 C ATOM 1241 NH1 ARG A 166 -16.889 2.443 2.793 1.00 2.54 N ATOM 1242 NH2 ARG A 166 -17.905 0.437 2.557 1.00 2.31 N ATOM 0 H ARG A 166 -10.854 2.387 -0.296 1.00 0.30 H new ATOM 0 HA ARG A 166 -12.321 0.589 -2.109 1.00 0.34 H new ATOM 0 HB2 ARG A 166 -12.410 0.557 0.405 1.00 0.43 H new ATOM 0 HB3 ARG A 166 -12.998 2.208 0.415 1.00 0.43 H new ATOM 0 HG2 ARG A 166 -15.037 1.497 -0.860 1.00 1.07 H new ATOM 0 HG3 ARG A 166 -14.446 -0.152 -0.895 1.00 1.07 H new ATOM 0 HD2 ARG A 166 -15.100 -0.544 1.292 1.00 1.15 H new ATOM 0 HD3 ARG A 166 -14.439 0.979 1.854 1.00 1.15 H new ATOM 0 HE ARG A 166 -16.815 1.386 0.120 1.00 1.71 H new ATOM 0 HH11 ARG A 166 -16.232 3.145 2.454 1.00 2.54 H new ATOM 0 HH12 ARG A 166 -17.407 2.605 3.657 1.00 2.54 H new ATOM 0 HH21 ARG A 166 -18.042 -0.428 2.034 1.00 2.31 H new ATOM 0 HH22 ARG A 166 -18.424 0.598 3.420 1.00 2.31 H new ATOM 1256 N THR A 167 -13.131 3.748 -2.066 1.00 0.31 N ATOM 1257 CA THR A 167 -13.916 4.756 -2.841 1.00 0.40 C ATOM 1258 C THR A 167 -13.506 4.723 -4.305 1.00 0.44 C ATOM 1259 O THR A 167 -14.326 4.839 -5.195 1.00 0.55 O ATOM 1260 CB THR A 167 -13.560 6.108 -2.223 1.00 0.43 C ATOM 1261 OG1 THR A 167 -13.921 6.107 -0.852 1.00 0.42 O ATOM 1262 CG2 THR A 167 -14.318 7.227 -2.940 1.00 0.58 C ATOM 0 H THR A 167 -12.563 4.131 -1.310 1.00 0.31 H new ATOM 0 HA THR A 167 -14.987 4.560 -2.800 1.00 0.40 H new ATOM 0 HB THR A 167 -12.488 6.276 -2.326 1.00 0.43 H new ATOM 0 HG1 THR A 167 -13.113 6.166 -0.301 1.00 0.42 H new ATOM 0 HG21 THR A 167 -14.058 8.187 -2.493 1.00 0.58 H new ATOM 0 HG22 THR A 167 -14.046 7.233 -3.995 1.00 0.58 H new ATOM 0 HG23 THR A 167 -15.391 7.060 -2.843 1.00 0.58 H new ATOM 1270 N CYS A 168 -12.235 4.581 -4.550 1.00 0.42 N ATOM 1271 CA CYS A 168 -11.744 4.563 -5.952 1.00 0.52 C ATOM 1272 C CYS A 168 -12.091 3.243 -6.638 1.00 0.53 C ATOM 1273 O CYS A 168 -12.774 3.236 -7.645 1.00 0.90 O ATOM 1274 CB CYS A 168 -10.224 4.709 -5.839 1.00 0.56 C ATOM 1275 SG CYS A 168 -9.786 6.463 -5.779 1.00 1.28 S ATOM 0 H CYS A 168 -11.514 4.476 -3.837 1.00 0.42 H new ATOM 0 HA CYS A 168 -12.199 5.355 -6.547 1.00 0.52 H new ATOM 0 HB2 CYS A 168 -9.866 4.203 -4.942 1.00 0.56 H new ATOM 0 HB3 CYS A 168 -9.738 4.231 -6.690 1.00 0.56 H new ATOM 0 HG CYS A 168 -8.495 6.585 -5.681 1.00 1.28 H new ATOM 1281 N ARG A 169 -11.635 2.128 -6.107 1.00 0.30 N ATOM 1282 CA ARG A 169 -11.949 0.795 -6.764 1.00 0.32 C ATOM 1283 C ARG A 169 -11.343 -0.412 -6.029 1.00 0.33 C ATOM 1284 O ARG A 169 -11.646 -1.545 -6.359 1.00 0.60 O ATOM 1285 CB ARG A 169 -11.330 0.857 -8.171 1.00 0.45 C ATOM 1286 CG ARG A 169 -12.089 -0.090 -9.102 1.00 0.73 C ATOM 1287 CD ARG A 169 -11.475 -0.029 -10.502 1.00 1.01 C ATOM 1288 NE ARG A 169 -12.368 -0.869 -11.349 1.00 1.86 N ATOM 1289 CZ ARG A 169 -12.432 -0.661 -12.637 1.00 2.51 C ATOM 1290 NH1 ARG A 169 -12.734 0.525 -13.092 1.00 3.05 N ATOM 1291 NH2 ARG A 169 -12.193 -1.638 -13.468 1.00 3.17 N ATOM 0 H ARG A 169 -11.067 2.074 -5.261 1.00 0.30 H new ATOM 0 HA ARG A 169 -13.030 0.652 -6.760 1.00 0.32 H new ATOM 0 HB2 ARG A 169 -11.375 1.876 -8.555 1.00 0.45 H new ATOM 0 HB3 ARG A 169 -10.277 0.578 -8.130 1.00 0.45 H new ATOM 0 HG2 ARG A 169 -12.044 -1.109 -8.717 1.00 0.73 H new ATOM 0 HG3 ARG A 169 -13.142 0.189 -9.142 1.00 0.73 H new ATOM 0 HD2 ARG A 169 -11.431 0.996 -10.870 1.00 1.01 H new ATOM 0 HD3 ARG A 169 -10.455 -0.412 -10.503 1.00 1.01 H new ATOM 0 HE ARG A 169 -12.929 -1.606 -10.923 1.00 1.86 H new ATOM 0 HH11 ARG A 169 -12.920 1.289 -12.442 1.00 3.05 H new ATOM 0 HH12 ARG A 169 -12.784 0.688 -14.098 1.00 3.05 H new ATOM 0 HH21 ARG A 169 -11.956 -2.564 -13.112 1.00 3.17 H new ATOM 0 HH22 ARG A 169 -12.243 -1.476 -14.474 1.00 3.17 H new ATOM 1305 N LEU A 170 -10.453 -0.200 -5.099 1.00 0.30 N ATOM 1306 CA LEU A 170 -9.785 -1.354 -4.418 1.00 0.26 C ATOM 1307 C LEU A 170 -10.640 -1.948 -3.291 1.00 0.27 C ATOM 1308 O LEU A 170 -10.171 -2.164 -2.192 1.00 0.27 O ATOM 1309 CB LEU A 170 -8.494 -0.751 -3.865 1.00 0.25 C ATOM 1310 CG LEU A 170 -7.634 -0.224 -5.023 1.00 0.27 C ATOM 1311 CD1 LEU A 170 -7.793 1.300 -5.147 1.00 0.32 C ATOM 1312 CD2 LEU A 170 -6.168 -0.559 -4.752 1.00 0.31 C ATOM 0 H LEU A 170 -10.157 0.722 -4.778 1.00 0.30 H new ATOM 0 HA LEU A 170 -9.615 -2.185 -5.103 1.00 0.26 H new ATOM 0 HB2 LEU A 170 -8.726 0.059 -3.173 1.00 0.25 H new ATOM 0 HB3 LEU A 170 -7.942 -1.503 -3.302 1.00 0.25 H new ATOM 0 HG LEU A 170 -7.957 -0.693 -5.952 1.00 0.27 H new ATOM 0 HD11 LEU A 170 -7.179 1.664 -5.971 1.00 0.32 H new ATOM 0 HD12 LEU A 170 -8.838 1.542 -5.339 1.00 0.32 H new ATOM 0 HD13 LEU A 170 -7.474 1.776 -4.219 1.00 0.32 H new ATOM 0 HD21 LEU A 170 -5.552 -0.187 -5.571 1.00 0.31 H new ATOM 0 HD22 LEU A 170 -5.854 -0.090 -3.820 1.00 0.31 H new ATOM 0 HD23 LEU A 170 -6.051 -1.640 -4.672 1.00 0.31 H new ATOM 1324 N ASN A 171 -11.882 -2.243 -3.564 1.00 0.33 N ATOM 1325 CA ASN A 171 -12.771 -2.840 -2.517 1.00 0.37 C ATOM 1326 C ASN A 171 -12.129 -4.098 -1.919 1.00 0.32 C ATOM 1327 O ASN A 171 -12.381 -4.451 -0.782 1.00 0.33 O ATOM 1328 CB ASN A 171 -14.051 -3.215 -3.261 1.00 0.46 C ATOM 1329 CG ASN A 171 -15.245 -3.056 -2.327 1.00 0.54 C ATOM 1330 OD1 ASN A 171 -15.790 -4.024 -1.836 1.00 0.64 O ATOM 1331 ND2 ASN A 171 -15.675 -1.855 -2.068 1.00 0.53 N ATOM 0 H ASN A 171 -12.325 -2.097 -4.471 1.00 0.33 H new ATOM 0 HA ASN A 171 -12.951 -2.150 -1.693 1.00 0.37 H new ATOM 0 HB2 ASN A 171 -14.174 -2.580 -4.138 1.00 0.46 H new ATOM 0 HB3 ASN A 171 -13.989 -4.243 -3.618 1.00 0.46 H new ATOM 0 HD21 ASN A 171 -16.475 -1.722 -1.449 1.00 0.53 H new ATOM 0 HD22 ASN A 171 -15.212 -1.047 -2.484 1.00 0.53 H new ATOM 1338 N LEU A 172 -11.323 -4.784 -2.690 1.00 0.29 N ATOM 1339 CA LEU A 172 -10.680 -6.041 -2.182 1.00 0.28 C ATOM 1340 C LEU A 172 -9.890 -5.789 -0.900 1.00 0.22 C ATOM 1341 O LEU A 172 -10.234 -6.285 0.151 1.00 0.23 O ATOM 1342 CB LEU A 172 -9.704 -6.465 -3.281 1.00 0.30 C ATOM 1343 CG LEU A 172 -10.473 -7.056 -4.461 1.00 0.41 C ATOM 1344 CD1 LEU A 172 -9.532 -7.192 -5.659 1.00 0.91 C ATOM 1345 CD2 LEU A 172 -11.009 -8.439 -4.078 1.00 0.85 C ATOM 0 H LEU A 172 -11.081 -4.531 -3.648 1.00 0.29 H new ATOM 0 HA LEU A 172 -11.435 -6.794 -1.956 1.00 0.28 H new ATOM 0 HB2 LEU A 172 -9.119 -5.606 -3.611 1.00 0.30 H new ATOM 0 HB3 LEU A 172 -9.000 -7.200 -2.890 1.00 0.30 H new ATOM 0 HG LEU A 172 -11.305 -6.401 -4.720 1.00 0.41 H new ATOM 0 HD11 LEU A 172 -10.077 -7.614 -6.504 1.00 0.91 H new ATOM 0 HD12 LEU A 172 -9.145 -6.210 -5.931 1.00 0.91 H new ATOM 0 HD13 LEU A 172 -8.703 -7.849 -5.398 1.00 0.91 H new ATOM 0 HD21 LEU A 172 -11.558 -8.862 -4.919 1.00 0.85 H new ATOM 0 HD22 LEU A 172 -10.176 -9.094 -3.822 1.00 0.85 H new ATOM 0 HD23 LEU A 172 -11.675 -8.346 -3.220 1.00 0.85 H new ATOM 1357 N VAL A 173 -8.841 -5.017 -0.981 1.00 0.20 N ATOM 1358 CA VAL A 173 -8.018 -4.746 0.236 1.00 0.20 C ATOM 1359 C VAL A 173 -8.861 -4.069 1.314 1.00 0.19 C ATOM 1360 O VAL A 173 -8.663 -4.295 2.495 1.00 0.20 O ATOM 1361 CB VAL A 173 -6.847 -3.863 -0.218 1.00 0.27 C ATOM 1362 CG1 VAL A 173 -5.896 -4.710 -1.068 1.00 0.34 C ATOM 1363 CG2 VAL A 173 -7.337 -2.667 -1.046 1.00 0.31 C ATOM 0 H VAL A 173 -8.517 -4.562 -1.835 1.00 0.20 H new ATOM 0 HA VAL A 173 -7.643 -5.668 0.681 1.00 0.20 H new ATOM 0 HB VAL A 173 -6.338 -3.477 0.665 1.00 0.27 H new ATOM 0 HG11 VAL A 173 -5.058 -4.096 -1.398 1.00 0.34 H new ATOM 0 HG12 VAL A 173 -5.522 -5.544 -0.474 1.00 0.34 H new ATOM 0 HG13 VAL A 173 -6.429 -5.094 -1.938 1.00 0.34 H new ATOM 0 HG21 VAL A 173 -6.483 -2.062 -1.352 1.00 0.31 H new ATOM 0 HG22 VAL A 173 -7.862 -3.028 -1.931 1.00 0.31 H new ATOM 0 HG23 VAL A 173 -8.014 -2.061 -0.444 1.00 0.31 H new ATOM 1373 N ALA A 174 -9.814 -3.265 0.926 1.00 0.25 N ATOM 1374 CA ALA A 174 -10.686 -2.601 1.939 1.00 0.32 C ATOM 1375 C ALA A 174 -11.420 -3.663 2.764 1.00 0.29 C ATOM 1376 O ALA A 174 -11.569 -3.541 3.966 1.00 0.32 O ATOM 1377 CB ALA A 174 -11.670 -1.768 1.127 1.00 0.41 C ATOM 0 H ALA A 174 -10.027 -3.039 -0.046 1.00 0.25 H new ATOM 0 HA ALA A 174 -10.123 -1.985 2.640 1.00 0.32 H new ATOM 0 HB1 ALA A 174 -12.349 -1.246 1.802 1.00 0.41 H new ATOM 0 HB2 ALA A 174 -11.123 -1.040 0.528 1.00 0.41 H new ATOM 0 HB3 ALA A 174 -12.243 -2.421 0.469 1.00 0.41 H new ATOM 1383 N ASP A 175 -11.879 -4.703 2.118 1.00 0.28 N ATOM 1384 CA ASP A 175 -12.591 -5.792 2.852 1.00 0.31 C ATOM 1385 C ASP A 175 -11.650 -6.502 3.830 1.00 0.24 C ATOM 1386 O ASP A 175 -12.036 -6.842 4.931 1.00 0.29 O ATOM 1387 CB ASP A 175 -13.066 -6.765 1.772 1.00 0.36 C ATOM 1388 CG ASP A 175 -14.183 -6.113 0.955 1.00 0.46 C ATOM 1389 OD1 ASP A 175 -14.925 -5.329 1.524 1.00 1.26 O ATOM 1390 OD2 ASP A 175 -14.285 -6.415 -0.223 1.00 1.10 O ATOM 0 H ASP A 175 -11.791 -4.846 1.112 1.00 0.28 H new ATOM 0 HA ASP A 175 -13.418 -5.399 3.444 1.00 0.31 H new ATOM 0 HB2 ASP A 175 -12.235 -7.036 1.121 1.00 0.36 H new ATOM 0 HB3 ASP A 175 -13.426 -7.686 2.230 1.00 0.36 H new ATOM 1395 N LEU A 176 -10.422 -6.749 3.428 1.00 0.17 N ATOM 1396 CA LEU A 176 -9.469 -7.468 4.339 1.00 0.20 C ATOM 1397 C LEU A 176 -9.239 -6.664 5.612 1.00 0.23 C ATOM 1398 O LEU A 176 -9.447 -7.146 6.712 1.00 0.29 O ATOM 1399 CB LEU A 176 -8.147 -7.581 3.563 1.00 0.26 C ATOM 1400 CG LEU A 176 -8.152 -8.722 2.519 1.00 0.49 C ATOM 1401 CD1 LEU A 176 -9.504 -8.857 1.806 1.00 1.34 C ATOM 1402 CD2 LEU A 176 -7.072 -8.419 1.477 1.00 0.95 C ATOM 0 H LEU A 176 -10.042 -6.487 2.519 1.00 0.17 H new ATOM 0 HA LEU A 176 -9.862 -8.443 4.627 1.00 0.20 H new ATOM 0 HB2 LEU A 176 -7.947 -6.636 3.058 1.00 0.26 H new ATOM 0 HB3 LEU A 176 -7.332 -7.745 4.268 1.00 0.26 H new ATOM 0 HG LEU A 176 -7.961 -9.660 3.040 1.00 0.49 H new ATOM 0 HD11 LEU A 176 -9.455 -9.672 1.084 1.00 1.34 H new ATOM 0 HD12 LEU A 176 -10.282 -9.069 2.539 1.00 1.34 H new ATOM 0 HD13 LEU A 176 -9.737 -7.927 1.288 1.00 1.34 H new ATOM 0 HD21 LEU A 176 -7.056 -9.211 0.729 1.00 0.95 H new ATOM 0 HD22 LEU A 176 -7.290 -7.467 0.993 1.00 0.95 H new ATOM 0 HD23 LEU A 176 -6.100 -8.363 1.966 1.00 0.95 H new ATOM 1414 N VAL A 177 -8.807 -5.439 5.468 1.00 0.25 N ATOM 1415 CA VAL A 177 -8.557 -4.590 6.668 1.00 0.34 C ATOM 1416 C VAL A 177 -9.863 -4.416 7.450 1.00 0.37 C ATOM 1417 O VAL A 177 -9.876 -4.479 8.665 1.00 0.44 O ATOM 1418 CB VAL A 177 -8.046 -3.246 6.130 1.00 0.38 C ATOM 1419 CG1 VAL A 177 -6.743 -3.465 5.359 1.00 0.40 C ATOM 1420 CG2 VAL A 177 -9.081 -2.623 5.191 1.00 0.36 C ATOM 0 H VAL A 177 -8.617 -4.991 4.572 1.00 0.25 H new ATOM 0 HA VAL A 177 -7.831 -5.033 7.349 1.00 0.34 H new ATOM 0 HB VAL A 177 -7.873 -2.575 6.972 1.00 0.38 H new ATOM 0 HG11 VAL A 177 -6.381 -2.510 4.977 1.00 0.40 H new ATOM 0 HG12 VAL A 177 -5.995 -3.897 6.024 1.00 0.40 H new ATOM 0 HG13 VAL A 177 -6.923 -4.144 4.526 1.00 0.40 H new ATOM 0 HG21 VAL A 177 -8.706 -1.670 4.817 1.00 0.36 H new ATOM 0 HG22 VAL A 177 -9.263 -3.296 4.353 1.00 0.36 H new ATOM 0 HG23 VAL A 177 -10.012 -2.458 5.733 1.00 0.36 H new ATOM 1430 N GLU A 178 -10.966 -4.230 6.761 1.00 0.37 N ATOM 1431 CA GLU A 178 -12.275 -4.086 7.471 1.00 0.45 C ATOM 1432 C GLU A 178 -12.585 -5.355 8.279 1.00 0.45 C ATOM 1433 O GLU A 178 -12.856 -5.295 9.466 1.00 0.52 O ATOM 1434 CB GLU A 178 -13.303 -3.876 6.348 1.00 0.50 C ATOM 1435 CG GLU A 178 -14.728 -3.962 6.901 1.00 0.59 C ATOM 1436 CD GLU A 178 -15.701 -3.288 5.934 1.00 1.19 C ATOM 1437 OE1 GLU A 178 -15.385 -2.205 5.467 1.00 1.86 O ATOM 1438 OE2 GLU A 178 -16.746 -3.862 5.680 1.00 1.86 O ATOM 0 H GLU A 178 -11.015 -4.172 5.744 1.00 0.37 H new ATOM 0 HA GLU A 178 -12.279 -3.261 8.184 1.00 0.45 H new ATOM 0 HB2 GLU A 178 -13.146 -2.904 5.881 1.00 0.50 H new ATOM 0 HB3 GLU A 178 -13.162 -4.629 5.572 1.00 0.50 H new ATOM 0 HG2 GLU A 178 -15.009 -5.005 7.046 1.00 0.59 H new ATOM 0 HG3 GLU A 178 -14.779 -3.480 7.877 1.00 0.59 H new ATOM 1445 N GLU A 179 -12.533 -6.502 7.646 1.00 0.42 N ATOM 1446 CA GLU A 179 -12.830 -7.774 8.373 1.00 0.48 C ATOM 1447 C GLU A 179 -11.848 -7.955 9.526 1.00 0.52 C ATOM 1448 O GLU A 179 -12.213 -8.413 10.594 1.00 0.61 O ATOM 1449 CB GLU A 179 -12.698 -8.891 7.330 1.00 0.49 C ATOM 1450 CG GLU A 179 -14.053 -9.092 6.642 1.00 1.19 C ATOM 1451 CD GLU A 179 -13.959 -10.239 5.633 1.00 1.57 C ATOM 1452 OE1 GLU A 179 -13.369 -10.035 4.585 1.00 1.94 O ATOM 1453 OE2 GLU A 179 -14.479 -11.304 5.927 1.00 2.23 O ATOM 0 H GLU A 179 -12.298 -6.611 6.659 1.00 0.42 H new ATOM 0 HA GLU A 179 -13.827 -7.778 8.814 1.00 0.48 H new ATOM 0 HB2 GLU A 179 -11.937 -8.631 6.594 1.00 0.49 H new ATOM 0 HB3 GLU A 179 -12.377 -9.817 7.808 1.00 0.49 H new ATOM 0 HG2 GLU A 179 -14.819 -9.312 7.385 1.00 1.19 H new ATOM 0 HG3 GLU A 179 -14.354 -8.175 6.136 1.00 1.19 H new ATOM 1460 N ALA A 180 -10.614 -7.581 9.328 1.00 0.49 N ATOM 1461 CA ALA A 180 -9.610 -7.712 10.426 1.00 0.58 C ATOM 1462 C ALA A 180 -10.016 -6.842 11.627 1.00 0.65 C ATOM 1463 O ALA A 180 -9.929 -7.263 12.765 1.00 0.79 O ATOM 1464 CB ALA A 180 -8.293 -7.208 9.826 1.00 0.56 C ATOM 0 H ALA A 180 -10.256 -7.191 8.456 1.00 0.49 H new ATOM 0 HA ALA A 180 -9.530 -8.737 10.787 1.00 0.58 H new ATOM 0 HB1 ALA A 180 -7.504 -7.273 10.575 1.00 0.56 H new ATOM 0 HB2 ALA A 180 -8.027 -7.821 8.965 1.00 0.56 H new ATOM 0 HB3 ALA A 180 -8.410 -6.171 9.511 1.00 0.56 H new ATOM 1470 N GLN A 181 -10.454 -5.631 11.376 1.00 0.66 N ATOM 1471 CA GLN A 181 -10.860 -4.720 12.500 1.00 0.80 C ATOM 1472 C GLN A 181 -12.216 -5.104 13.106 1.00 0.83 C ATOM 1473 O GLN A 181 -12.486 -4.818 14.257 1.00 1.19 O ATOM 1474 CB GLN A 181 -10.930 -3.320 11.885 1.00 1.13 C ATOM 1475 CG GLN A 181 -9.580 -2.619 12.055 1.00 1.56 C ATOM 1476 CD GLN A 181 -9.451 -1.502 11.021 1.00 1.85 C ATOM 1477 OE1 GLN A 181 -9.561 -0.337 11.350 1.00 2.49 O ATOM 1478 NE2 GLN A 181 -9.221 -1.810 9.776 1.00 2.18 N ATOM 0 H GLN A 181 -10.549 -5.232 10.442 1.00 0.66 H new ATOM 0 HA GLN A 181 -10.144 -4.783 13.319 1.00 0.80 H new ATOM 0 HB2 GLN A 181 -11.186 -3.388 10.828 1.00 1.13 H new ATOM 0 HB3 GLN A 181 -11.717 -2.739 12.366 1.00 1.13 H new ATOM 0 HG2 GLN A 181 -9.496 -2.209 13.061 1.00 1.56 H new ATOM 0 HG3 GLN A 181 -8.768 -3.336 11.934 1.00 1.56 H new ATOM 0 HE21 GLN A 181 -9.129 -2.788 9.501 1.00 2.18 H new ATOM 0 HE22 GLN A 181 -9.133 -1.073 9.076 1.00 2.18 H new ATOM 1487 N GLU A 182 -13.080 -5.725 12.342 1.00 0.85 N ATOM 1488 CA GLU A 182 -14.435 -6.107 12.869 1.00 1.24 C ATOM 1489 C GLU A 182 -15.138 -4.888 13.489 1.00 1.66 C ATOM 1490 O GLU A 182 -15.855 -5.007 14.463 1.00 2.21 O ATOM 1491 CB GLU A 182 -14.180 -7.166 13.945 1.00 1.48 C ATOM 1492 CG GLU A 182 -13.577 -8.418 13.307 1.00 1.65 C ATOM 1493 CD GLU A 182 -13.373 -9.488 14.381 1.00 2.39 C ATOM 1494 OE1 GLU A 182 -12.878 -9.147 15.443 1.00 3.23 O ATOM 1495 OE2 GLU A 182 -13.718 -10.630 14.125 1.00 2.59 O ATOM 0 H GLU A 182 -12.908 -5.987 11.371 1.00 0.85 H new ATOM 0 HA GLU A 182 -15.079 -6.481 12.073 1.00 1.24 H new ATOM 0 HB2 GLU A 182 -13.504 -6.772 14.703 1.00 1.48 H new ATOM 0 HB3 GLU A 182 -15.113 -7.417 14.449 1.00 1.48 H new ATOM 0 HG2 GLU A 182 -14.236 -8.794 12.524 1.00 1.65 H new ATOM 0 HG3 GLU A 182 -12.625 -8.176 12.834 1.00 1.65 H new ATOM 1502 N SER A 183 -14.937 -3.718 12.927 1.00 1.79 N ATOM 1503 CA SER A 183 -15.588 -2.477 13.471 1.00 2.38 C ATOM 1504 C SER A 183 -15.375 -2.356 14.989 1.00 2.73 C ATOM 1505 O SER A 183 -14.409 -1.724 15.383 1.00 3.10 O ATOM 1506 CB SER A 183 -17.074 -2.632 13.148 1.00 2.82 C ATOM 1507 OG SER A 183 -17.231 -2.837 11.750 1.00 3.08 O ATOM 1508 OXT SER A 183 -16.186 -2.893 15.727 1.00 3.08 O ATOM 0 H SER A 183 -14.346 -3.567 12.109 1.00 1.79 H new ATOM 0 HA SER A 183 -15.162 -1.575 13.031 1.00 2.38 H new ATOM 0 HB2 SER A 183 -17.492 -3.474 13.700 1.00 2.82 H new ATOM 0 HB3 SER A 183 -17.621 -1.742 13.461 1.00 2.82 H new ATOM 0 HG SER A 183 -18.183 -2.939 11.539 1.00 3.08 H new TER 1514 SER A 183