USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 171 ASN : amide:sc= -4.28! C(o=-8.4!,f=-6.4!) USER MOD Set 1.2: A 181 MET CE :methyl -151:sc= -4.12! (180deg=-3.35!) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 ASN : amide:sc= -11.7! C(o=-12!,f=-12!) USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0.00035) USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ -157:sc= -4.74 (180deg=-7.67!) USER MOD Single : A 168 GLN : amide:sc= -0.0743 K(o=-0.074,f=-2!) USER MOD Single : A 175 SER OG : rot -49:sc= 0.0778 USER MOD Single : A 178 LYS NZ :NH3+ -134:sc= -0.0831 (180deg=-0.703) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -169:sc= -0.932! (180deg=-1.88!) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 134 1.405 -0.642 -0.644 1.00 0.00 N ATOM 2 CA ALA A 134 2.152 -0.424 -1.870 1.00 0.00 C ATOM 3 C ALA A 134 2.134 1.066 -2.217 1.00 0.00 C ATOM 4 O ALA A 134 1.168 1.561 -2.795 1.00 0.00 O ATOM 5 CB ALA A 134 1.565 -1.290 -2.987 1.00 0.00 C ATOM 0 HA ALA A 134 3.193 -0.719 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A 134 2.126 -1.126 -3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 134 1.630 -2.341 -2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 134 0.521 -1.021 -3.146 1.00 0.00 H new ATOM 11 N GLU A 135 3.214 1.739 -1.849 1.00 0.00 N ATOM 12 CA GLU A 135 3.334 3.164 -2.114 1.00 0.00 C ATOM 13 C GLU A 135 4.590 3.724 -1.444 1.00 0.00 C ATOM 14 O GLU A 135 5.308 4.528 -2.037 1.00 0.00 O ATOM 15 CB GLU A 135 2.084 3.915 -1.650 1.00 0.00 C ATOM 16 CG GLU A 135 1.639 3.437 -0.267 1.00 0.00 C ATOM 17 CD GLU A 135 0.474 4.280 0.256 1.00 0.00 C ATOM 18 OE1 GLU A 135 0.763 5.338 0.856 1.00 0.00 O ATOM 19 OE2 GLU A 135 -0.680 3.848 0.042 1.00 0.00 O ATOM 0 H GLU A 135 4.014 1.325 -1.370 1.00 0.00 H new ATOM 0 HA GLU A 135 3.425 3.307 -3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 135 2.288 4.985 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.278 3.764 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 135 1.340 2.390 -0.319 1.00 0.00 H new ATOM 0 HG3 GLU A 135 2.476 3.496 0.429 1.00 0.00 H new ATOM 26 N TYR A 136 4.818 3.277 -0.217 1.00 0.00 N ATOM 27 CA TYR A 136 5.974 3.724 0.539 1.00 0.00 C ATOM 28 C TYR A 136 6.520 2.600 1.422 1.00 0.00 C ATOM 29 O TYR A 136 5.753 1.874 2.053 1.00 0.00 O ATOM 30 CB TYR A 136 5.480 4.864 1.432 1.00 0.00 C ATOM 31 CG TYR A 136 4.667 5.927 0.690 1.00 0.00 C ATOM 32 CD1 TYR A 136 5.190 6.539 -0.430 1.00 0.00 C ATOM 33 CD2 TYR A 136 3.410 6.274 1.142 1.00 0.00 C ATOM 34 CE1 TYR A 136 4.425 7.539 -1.128 1.00 0.00 C ATOM 35 CE2 TYR A 136 2.645 7.274 0.444 1.00 0.00 C ATOM 36 CZ TYR A 136 3.190 7.858 -0.656 1.00 0.00 C ATOM 37 OH TYR A 136 2.467 8.803 -1.315 1.00 0.00 O ATOM 0 H TYR A 136 4.221 2.610 0.272 1.00 0.00 H new ATOM 0 HA TYR A 136 6.774 4.036 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 136 4.869 4.447 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.339 5.341 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 136 6.174 6.268 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 136 3.000 5.795 2.019 1.00 0.00 H new ATOM 0 HE1 TYR A 136 4.823 8.025 -2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.660 7.554 0.787 1.00 0.00 H new ATOM 0 HH TYR A 136 1.605 8.927 -0.866 1.00 0.00 H new ATOM 47 N VAL A 137 7.840 2.492 1.440 1.00 0.00 N ATOM 48 CA VAL A 137 8.496 1.468 2.237 1.00 0.00 C ATOM 49 C VAL A 137 9.847 1.996 2.724 1.00 0.00 C ATOM 50 O VAL A 137 10.432 2.881 2.103 1.00 0.00 O ATOM 51 CB VAL A 137 8.616 0.174 1.428 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.254 -0.506 1.277 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.252 0.437 0.062 1.00 0.00 C ATOM 0 H VAL A 137 8.473 3.096 0.916 1.00 0.00 H new ATOM 0 HA VAL A 137 7.902 1.231 3.120 1.00 0.00 H new ATOM 0 HB VAL A 137 9.270 -0.504 1.976 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.367 -1.423 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.856 -0.746 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.567 0.166 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.325 -0.499 -0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.636 1.142 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.249 0.856 0.199 1.00 0.00 H new ATOM 63 N ARG A 138 10.302 1.429 3.832 1.00 0.00 N ATOM 64 CA ARG A 138 11.572 1.832 4.410 1.00 0.00 C ATOM 65 C ARG A 138 12.401 0.599 4.781 1.00 0.00 C ATOM 66 O ARG A 138 11.853 -0.418 5.200 1.00 0.00 O ATOM 67 CB ARG A 138 11.362 2.691 5.659 1.00 0.00 C ATOM 68 CG ARG A 138 10.912 1.834 6.844 1.00 0.00 C ATOM 69 CD ARG A 138 10.028 2.640 7.798 1.00 0.00 C ATOM 70 NE ARG A 138 9.387 3.758 7.072 1.00 0.00 N ATOM 71 CZ ARG A 138 9.446 5.039 7.462 1.00 0.00 C ATOM 72 NH1 ARG A 138 10.117 5.371 8.573 1.00 0.00 N ATOM 73 NH2 ARG A 138 8.835 5.988 6.740 1.00 0.00 N ATOM 0 H ARG A 138 9.814 0.694 4.344 1.00 0.00 H new ATOM 0 HA ARG A 138 12.104 2.421 3.663 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.289 3.207 5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.615 3.458 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 138 10.364 0.965 6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 138 11.785 1.460 7.379 1.00 0.00 H new ATOM 0 HD2 ARG A 138 9.266 1.994 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 138 10.627 3.027 8.622 1.00 0.00 H new ATOM 0 HE ARG A 138 8.868 3.541 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 138 10.583 4.649 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 138 10.162 6.346 8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.325 5.736 5.894 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.880 6.963 7.037 1.00 0.00 H new ATOM 87 N ALA A 139 13.709 0.733 4.612 1.00 0.00 N ATOM 88 CA ALA A 139 14.618 -0.357 4.924 1.00 0.00 C ATOM 89 C ALA A 139 15.227 -0.127 6.308 1.00 0.00 C ATOM 90 O ALA A 139 15.751 0.950 6.590 1.00 0.00 O ATOM 91 CB ALA A 139 15.682 -0.463 3.829 1.00 0.00 C ATOM 0 H ALA A 139 14.160 1.579 4.263 1.00 0.00 H new ATOM 0 HA ALA A 139 14.084 -1.307 4.953 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.364 -1.280 4.062 1.00 0.00 H new ATOM 0 HB2 ALA A 139 15.200 -0.655 2.871 1.00 0.00 H new ATOM 0 HB3 ALA A 139 16.241 0.471 3.773 1.00 0.00 H new ATOM 97 N LEU A 140 15.137 -1.157 7.138 1.00 0.00 N ATOM 98 CA LEU A 140 15.673 -1.080 8.486 1.00 0.00 C ATOM 99 C LEU A 140 16.742 -2.159 8.667 1.00 0.00 C ATOM 100 O LEU A 140 17.044 -2.557 9.792 1.00 0.00 O ATOM 101 CB LEU A 140 14.543 -1.155 9.516 1.00 0.00 C ATOM 102 CG LEU A 140 13.121 -1.123 8.955 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.755 -2.461 8.309 1.00 0.00 C ATOM 104 CD2 LEU A 140 12.115 -0.713 10.033 1.00 0.00 C ATOM 0 H LEU A 140 14.701 -2.049 6.902 1.00 0.00 H new ATOM 0 HA LEU A 140 16.159 -0.118 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.664 -2.072 10.093 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.657 -0.324 10.212 1.00 0.00 H new ATOM 0 HG LEU A 140 13.081 -0.366 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.739 -2.410 7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.447 -2.673 7.494 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.818 -3.254 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 140 11.112 -0.698 9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 140 12.150 -1.428 10.855 1.00 0.00 H new ATOM 0 HD23 LEU A 140 12.366 0.280 10.406 1.00 0.00 H new ATOM 116 N PHE A 141 17.286 -2.603 7.544 1.00 0.00 N ATOM 117 CA PHE A 141 18.316 -3.628 7.564 1.00 0.00 C ATOM 118 C PHE A 141 19.430 -3.305 6.565 1.00 0.00 C ATOM 119 O PHE A 141 20.480 -3.944 6.575 1.00 0.00 O ATOM 120 CB PHE A 141 17.646 -4.942 7.156 1.00 0.00 C ATOM 121 CG PHE A 141 18.077 -6.146 7.997 1.00 0.00 C ATOM 122 CD1 PHE A 141 19.372 -6.559 7.981 1.00 0.00 C ATOM 123 CD2 PHE A 141 17.163 -6.803 8.760 1.00 0.00 C ATOM 124 CE1 PHE A 141 19.771 -7.675 8.762 1.00 0.00 C ATOM 125 CE2 PHE A 141 17.562 -7.920 9.541 1.00 0.00 C ATOM 126 CZ PHE A 141 18.857 -8.333 9.525 1.00 0.00 C ATOM 0 H PHE A 141 17.033 -2.272 6.613 1.00 0.00 H new ATOM 0 HA PHE A 141 18.762 -3.689 8.557 1.00 0.00 H new ATOM 0 HB2 PHE A 141 16.565 -4.826 7.233 1.00 0.00 H new ATOM 0 HB3 PHE A 141 17.872 -5.143 6.109 1.00 0.00 H new ATOM 0 HD1 PHE A 141 20.097 -6.038 7.374 1.00 0.00 H new ATOM 0 HD2 PHE A 141 16.134 -6.475 8.772 1.00 0.00 H new ATOM 0 HE1 PHE A 141 20.800 -8.002 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 141 16.836 -8.441 10.148 1.00 0.00 H new ATOM 0 HZ PHE A 141 19.160 -9.183 10.118 1.00 0.00 H new ATOM 136 N ASP A 142 19.161 -2.315 5.727 1.00 0.00 N ATOM 137 CA ASP A 142 20.128 -1.901 4.725 1.00 0.00 C ATOM 138 C ASP A 142 20.521 -3.108 3.871 1.00 0.00 C ATOM 139 O ASP A 142 20.432 -4.248 4.324 1.00 0.00 O ATOM 140 CB ASP A 142 21.397 -1.350 5.378 1.00 0.00 C ATOM 141 CG ASP A 142 22.668 -1.486 4.538 1.00 0.00 C ATOM 142 OD1 ASP A 142 23.172 -2.627 4.453 1.00 0.00 O ATOM 143 OD2 ASP A 142 23.107 -0.446 3.999 1.00 0.00 O ATOM 0 H ASP A 142 18.288 -1.788 5.721 1.00 0.00 H new ATOM 0 HA ASP A 142 19.669 -1.122 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.242 -0.296 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 142 21.551 -1.862 6.328 1.00 0.00 H new ATOM 148 N PHE A 143 20.947 -2.816 2.651 1.00 0.00 N ATOM 149 CA PHE A 143 21.353 -3.864 1.730 1.00 0.00 C ATOM 150 C PHE A 143 22.531 -3.407 0.865 1.00 0.00 C ATOM 151 O PHE A 143 23.686 -3.672 1.194 1.00 0.00 O ATOM 152 CB PHE A 143 20.154 -4.154 0.826 1.00 0.00 C ATOM 153 CG PHE A 143 20.471 -5.079 -0.351 1.00 0.00 C ATOM 154 CD1 PHE A 143 21.544 -5.913 -0.290 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.681 -5.068 -1.458 1.00 0.00 C ATOM 156 CE1 PHE A 143 21.839 -6.773 -1.381 1.00 0.00 C ATOM 157 CE2 PHE A 143 19.975 -5.928 -2.549 1.00 0.00 C ATOM 158 CZ PHE A 143 21.049 -6.762 -2.487 1.00 0.00 C ATOM 0 H PHE A 143 21.020 -1.869 2.279 1.00 0.00 H new ATOM 0 HA PHE A 143 21.666 -4.748 2.286 1.00 0.00 H new ATOM 0 HB2 PHE A 143 19.361 -4.603 1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.767 -3.211 0.440 1.00 0.00 H new ATOM 0 HD1 PHE A 143 22.172 -5.921 0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 143 18.830 -4.405 -1.507 1.00 0.00 H new ATOM 0 HE1 PHE A 143 22.691 -7.435 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.347 -5.920 -3.427 1.00 0.00 H new ATOM 0 HZ PHE A 143 21.274 -7.415 -3.317 1.00 0.00 H new ATOM 168 N ASN A 144 22.196 -2.728 -0.222 1.00 0.00 N ATOM 169 CA ASN A 144 23.211 -2.233 -1.136 1.00 0.00 C ATOM 170 C ASN A 144 22.641 -2.201 -2.556 1.00 0.00 C ATOM 171 O ASN A 144 23.222 -1.585 -3.448 1.00 0.00 O ATOM 172 CB ASN A 144 24.441 -3.144 -1.140 1.00 0.00 C ATOM 173 CG ASN A 144 24.036 -4.610 -1.307 1.00 0.00 C ATOM 174 OD1 ASN A 144 23.353 -4.990 -2.243 1.00 0.00 O ATOM 175 ND2 ASN A 144 24.495 -5.410 -0.348 1.00 0.00 N ATOM 0 H ASN A 144 21.237 -2.509 -0.490 1.00 0.00 H new ATOM 0 HA ASN A 144 23.503 -1.235 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 144 25.111 -2.853 -1.949 1.00 0.00 H new ATOM 0 HB3 ASN A 144 24.994 -3.019 -0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 144 24.280 -6.407 -0.369 1.00 0.00 H new ATOM 0 HD22 ASN A 144 25.062 -5.026 0.408 1.00 0.00 H new ATOM 182 N GLY A 145 21.512 -2.874 -2.721 1.00 0.00 N ATOM 183 CA GLY A 145 20.857 -2.930 -4.017 1.00 0.00 C ATOM 184 C GLY A 145 21.720 -3.680 -5.034 1.00 0.00 C ATOM 185 O GLY A 145 22.400 -4.644 -4.686 1.00 0.00 O ATOM 0 H GLY A 145 21.034 -3.385 -1.979 1.00 0.00 H new ATOM 0 HA2 GLY A 145 19.891 -3.425 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 145 20.663 -1.919 -4.375 1.00 0.00 H new ATOM 189 N ASN A 146 21.663 -3.210 -6.271 1.00 0.00 N ATOM 190 CA ASN A 146 22.429 -3.824 -7.342 1.00 0.00 C ATOM 191 C ASN A 146 22.002 -3.220 -8.681 1.00 0.00 C ATOM 192 O ASN A 146 22.811 -3.108 -9.601 1.00 0.00 O ATOM 193 CB ASN A 146 22.180 -5.332 -7.402 1.00 0.00 C ATOM 194 CG ASN A 146 23.499 -6.103 -7.487 1.00 0.00 C ATOM 195 OD1 ASN A 146 24.018 -6.606 -6.505 1.00 0.00 O ATOM 196 ND2 ASN A 146 24.010 -6.167 -8.714 1.00 0.00 N ATOM 0 H ASN A 146 21.098 -2.410 -6.556 1.00 0.00 H new ATOM 0 HA ASN A 146 23.486 -3.640 -7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 146 21.626 -5.648 -6.518 1.00 0.00 H new ATOM 0 HB3 ASN A 146 21.561 -5.568 -8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 146 24.888 -6.660 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 146 23.523 -5.723 -9.493 1.00 0.00 H new ATOM 203 N ASP A 147 20.732 -2.846 -8.748 1.00 0.00 N ATOM 204 CA ASP A 147 20.188 -2.256 -9.958 1.00 0.00 C ATOM 205 C ASP A 147 19.838 -3.369 -10.949 1.00 0.00 C ATOM 206 O ASP A 147 20.321 -4.493 -10.822 1.00 0.00 O ATOM 207 CB ASP A 147 21.208 -1.332 -10.628 1.00 0.00 C ATOM 208 CG ASP A 147 21.866 -1.898 -11.886 1.00 0.00 C ATOM 209 OD1 ASP A 147 21.148 -2.006 -12.904 1.00 0.00 O ATOM 210 OD2 ASP A 147 23.074 -2.210 -11.804 1.00 0.00 O ATOM 0 H ASP A 147 20.064 -2.941 -7.983 1.00 0.00 H new ATOM 0 HA ASP A 147 19.304 -1.680 -9.684 1.00 0.00 H new ATOM 0 HB2 ASP A 147 20.713 -0.396 -10.885 1.00 0.00 H new ATOM 0 HB3 ASP A 147 21.988 -1.092 -9.905 1.00 0.00 H new ATOM 215 N GLU A 148 19.000 -3.016 -11.914 1.00 0.00 N ATOM 216 CA GLU A 148 18.580 -3.970 -12.926 1.00 0.00 C ATOM 217 C GLU A 148 17.651 -5.020 -12.312 1.00 0.00 C ATOM 218 O GLU A 148 17.124 -5.877 -13.019 1.00 0.00 O ATOM 219 CB GLU A 148 19.789 -4.630 -13.592 1.00 0.00 C ATOM 220 CG GLU A 148 19.361 -5.456 -14.808 1.00 0.00 C ATOM 221 CD GLU A 148 19.934 -4.868 -16.099 1.00 0.00 C ATOM 222 OE1 GLU A 148 19.965 -3.622 -16.190 1.00 0.00 O ATOM 223 OE2 GLU A 148 20.329 -5.678 -16.965 1.00 0.00 O ATOM 0 H GLU A 148 18.601 -2.083 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 148 18.029 -3.433 -13.698 1.00 0.00 H new ATOM 0 HB2 GLU A 148 20.502 -3.865 -13.900 1.00 0.00 H new ATOM 0 HB3 GLU A 148 20.300 -5.271 -12.874 1.00 0.00 H new ATOM 0 HG2 GLU A 148 19.700 -6.485 -14.691 1.00 0.00 H new ATOM 0 HG3 GLU A 148 18.273 -5.484 -14.868 1.00 0.00 H new ATOM 230 N GLU A 149 17.480 -4.919 -11.002 1.00 0.00 N ATOM 231 CA GLU A 149 16.624 -5.849 -10.285 1.00 0.00 C ATOM 232 C GLU A 149 17.015 -5.898 -8.806 1.00 0.00 C ATOM 233 O GLU A 149 16.942 -6.952 -8.176 1.00 0.00 O ATOM 234 CB GLU A 149 16.681 -7.243 -10.914 1.00 0.00 C ATOM 235 CG GLU A 149 15.447 -7.505 -11.779 1.00 0.00 C ATOM 236 CD GLU A 149 15.693 -8.661 -12.751 1.00 0.00 C ATOM 237 OE1 GLU A 149 15.752 -9.810 -12.262 1.00 0.00 O ATOM 238 OE2 GLU A 149 15.816 -8.369 -13.960 1.00 0.00 O ATOM 0 H GLU A 149 17.920 -4.207 -10.418 1.00 0.00 H new ATOM 0 HA GLU A 149 15.595 -5.496 -10.357 1.00 0.00 H new ATOM 0 HB2 GLU A 149 17.581 -7.335 -11.521 1.00 0.00 H new ATOM 0 HB3 GLU A 149 16.747 -7.997 -10.130 1.00 0.00 H new ATOM 0 HG2 GLU A 149 14.594 -7.737 -11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 149 15.192 -6.604 -12.337 1.00 0.00 H new ATOM 245 N ASP A 150 17.422 -4.746 -8.296 1.00 0.00 N ATOM 246 CA ASP A 150 17.824 -4.644 -6.904 1.00 0.00 C ATOM 247 C ASP A 150 17.795 -3.175 -6.475 1.00 0.00 C ATOM 248 O ASP A 150 18.539 -2.354 -7.009 1.00 0.00 O ATOM 249 CB ASP A 150 19.248 -5.167 -6.702 1.00 0.00 C ATOM 250 CG ASP A 150 19.375 -6.691 -6.650 1.00 0.00 C ATOM 251 OD1 ASP A 150 19.268 -7.306 -7.732 1.00 0.00 O ATOM 252 OD2 ASP A 150 19.576 -7.205 -5.529 1.00 0.00 O ATOM 0 H ASP A 150 17.482 -3.874 -8.822 1.00 0.00 H new ATOM 0 HA ASP A 150 17.133 -5.241 -6.309 1.00 0.00 H new ATOM 0 HB2 ASP A 150 19.875 -4.792 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 150 19.643 -4.752 -5.775 1.00 0.00 H new ATOM 257 N LEU A 151 16.929 -2.890 -5.514 1.00 0.00 N ATOM 258 CA LEU A 151 16.793 -1.534 -5.007 1.00 0.00 C ATOM 259 C LEU A 151 17.693 -1.360 -3.782 1.00 0.00 C ATOM 260 O LEU A 151 17.472 -1.990 -2.749 1.00 0.00 O ATOM 261 CB LEU A 151 15.322 -1.207 -4.741 1.00 0.00 C ATOM 262 CG LEU A 151 15.052 0.087 -3.970 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.060 1.173 -4.351 1.00 0.00 C ATOM 264 CD2 LEU A 151 13.607 0.551 -4.167 1.00 0.00 C ATOM 0 H LEU A 151 16.314 -3.574 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 151 17.126 -0.813 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 151 14.804 -1.151 -5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 151 14.880 -2.036 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 151 15.183 -0.115 -2.907 1.00 0.00 H new ATOM 0 HD11 LEU A 151 15.846 2.082 -3.789 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.068 0.831 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 151 15.985 1.381 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 151 13.441 1.472 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 151 13.424 0.731 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 151 12.925 -0.219 -3.806 1.00 0.00 H new ATOM 276 N PRO A 152 18.716 -0.479 -3.943 1.00 0.00 N ATOM 277 CA PRO A 152 19.652 -0.214 -2.862 1.00 0.00 C ATOM 278 C PRO A 152 19.013 0.670 -1.789 1.00 0.00 C ATOM 279 O PRO A 152 18.372 1.670 -2.105 1.00 0.00 O ATOM 280 CB PRO A 152 20.851 0.437 -3.532 1.00 0.00 C ATOM 281 CG PRO A 152 20.357 0.935 -4.881 1.00 0.00 C ATOM 282 CD PRO A 152 19.010 0.286 -5.152 1.00 0.00 C ATOM 0 HA PRO A 152 19.951 -1.118 -2.332 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.236 1.260 -2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 152 21.665 -0.277 -3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 152 20.264 2.021 -4.876 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.069 0.680 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 152 18.241 1.035 -5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.051 -0.360 -6.029 1.00 0.00 H new ATOM 290 N PHE A 153 19.211 0.268 -0.542 1.00 0.00 N ATOM 291 CA PHE A 153 18.662 1.011 0.580 1.00 0.00 C ATOM 292 C PHE A 153 19.522 0.828 1.831 1.00 0.00 C ATOM 293 O PHE A 153 20.439 0.007 1.844 1.00 0.00 O ATOM 294 CB PHE A 153 17.264 0.447 0.848 1.00 0.00 C ATOM 295 CG PHE A 153 17.235 -1.068 1.062 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.672 -1.597 2.236 1.00 0.00 C ATOM 297 CD2 PHE A 153 16.771 -1.884 0.079 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.644 -3.003 2.435 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.743 -3.290 0.278 1.00 0.00 C ATOM 300 CZ PHE A 153 17.181 -3.820 1.451 1.00 0.00 C ATOM 0 H PHE A 153 19.744 -0.563 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 153 18.633 2.075 0.345 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.849 0.936 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.615 0.698 0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 153 18.040 -0.948 3.017 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.424 -1.463 -0.853 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.990 -3.423 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 153 16.374 -3.938 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 153 17.161 -4.889 1.601 1.00 0.00 H new ATOM 310 N LYS A 154 19.196 1.605 2.853 1.00 0.00 N ATOM 311 CA LYS A 154 19.927 1.539 4.108 1.00 0.00 C ATOM 312 C LYS A 154 19.045 0.889 5.174 1.00 0.00 C ATOM 313 O LYS A 154 17.973 0.369 4.866 1.00 0.00 O ATOM 314 CB LYS A 154 20.444 2.925 4.499 1.00 0.00 C ATOM 315 CG LYS A 154 21.975 2.958 4.504 1.00 0.00 C ATOM 316 CD LYS A 154 22.492 4.350 4.869 1.00 0.00 C ATOM 317 CE LYS A 154 23.161 5.020 3.667 1.00 0.00 C ATOM 318 NZ LYS A 154 24.490 4.420 3.413 1.00 0.00 N ATOM 0 H LYS A 154 18.435 2.284 2.838 1.00 0.00 H new ATOM 0 HA LYS A 154 20.812 0.912 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 154 20.063 3.670 3.800 1.00 0.00 H new ATOM 0 HB3 LYS A 154 20.068 3.192 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.356 2.226 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 154 22.352 2.672 3.522 1.00 0.00 H new ATOM 0 HD2 LYS A 154 21.666 4.968 5.221 1.00 0.00 H new ATOM 0 HD3 LYS A 154 23.205 4.273 5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 154 22.531 4.910 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 154 23.267 6.089 3.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 24.930 4.886 2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 25.094 4.547 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 24.381 3.405 3.216 1.00 0.00 H new ATOM 332 N LYS A 155 19.527 0.939 6.407 1.00 0.00 N ATOM 333 CA LYS A 155 18.795 0.361 7.521 1.00 0.00 C ATOM 334 C LYS A 155 17.793 1.385 8.054 1.00 0.00 C ATOM 335 O LYS A 155 17.530 1.436 9.255 1.00 0.00 O ATOM 336 CB LYS A 155 19.763 -0.164 8.583 1.00 0.00 C ATOM 337 CG LYS A 155 20.147 0.942 9.569 1.00 0.00 C ATOM 338 CD LYS A 155 20.558 2.218 8.829 1.00 0.00 C ATOM 339 CE LYS A 155 21.875 2.016 8.077 1.00 0.00 C ATOM 340 NZ LYS A 155 23.021 2.402 8.928 1.00 0.00 N ATOM 0 H LYS A 155 20.416 1.371 6.659 1.00 0.00 H new ATOM 0 HA LYS A 155 18.220 -0.505 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 155 19.303 -0.993 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.660 -0.555 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 155 19.305 1.155 10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 155 20.968 0.603 10.200 1.00 0.00 H new ATOM 0 HD2 LYS A 155 19.775 2.504 8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 155 20.663 3.037 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 155 21.973 0.973 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 155 21.875 2.612 7.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 23.907 2.259 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 22.934 3.404 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 23.029 1.815 9.787 1.00 0.00 H new ATOM 354 N GLY A 156 17.260 2.178 7.136 1.00 0.00 N ATOM 355 CA GLY A 156 16.293 3.200 7.498 1.00 0.00 C ATOM 356 C GLY A 156 16.046 4.161 6.334 1.00 0.00 C ATOM 357 O GLY A 156 15.918 5.367 6.536 1.00 0.00 O ATOM 0 H GLY A 156 17.480 2.133 6.141 1.00 0.00 H new ATOM 0 HA2 GLY A 156 15.354 2.730 7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 156 16.654 3.757 8.363 1.00 0.00 H new ATOM 361 N ASP A 157 15.987 3.589 5.140 1.00 0.00 N ATOM 362 CA ASP A 157 15.758 4.380 3.943 1.00 0.00 C ATOM 363 C ASP A 157 14.256 4.440 3.655 1.00 0.00 C ATOM 364 O ASP A 157 13.480 3.682 4.233 1.00 0.00 O ATOM 365 CB ASP A 157 16.447 3.753 2.728 1.00 0.00 C ATOM 366 CG ASP A 157 17.778 4.398 2.336 1.00 0.00 C ATOM 367 OD1 ASP A 157 18.283 5.200 3.151 1.00 0.00 O ATOM 368 OD2 ASP A 157 18.262 4.075 1.229 1.00 0.00 O ATOM 0 H ASP A 157 16.094 2.588 4.976 1.00 0.00 H new ATOM 0 HA ASP A 157 16.165 5.376 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 157 16.619 2.696 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 157 15.769 3.808 1.876 1.00 0.00 H new ATOM 373 N ILE A 158 13.894 5.349 2.762 1.00 0.00 N ATOM 374 CA ILE A 158 12.500 5.517 2.390 1.00 0.00 C ATOM 375 C ILE A 158 12.372 5.462 0.866 1.00 0.00 C ATOM 376 O ILE A 158 13.156 6.081 0.151 1.00 0.00 O ATOM 377 CB ILE A 158 11.932 6.797 3.008 1.00 0.00 C ATOM 378 CG1 ILE A 158 11.316 6.516 4.382 1.00 0.00 C ATOM 379 CG2 ILE A 158 10.935 7.467 2.061 1.00 0.00 C ATOM 380 CD1 ILE A 158 12.400 6.171 5.407 1.00 0.00 C ATOM 0 H ILE A 158 14.542 5.977 2.285 1.00 0.00 H new ATOM 0 HA ILE A 158 11.898 4.701 2.790 1.00 0.00 H new ATOM 0 HB ILE A 158 12.754 7.497 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 158 10.756 7.388 4.719 1.00 0.00 H new ATOM 0 HG13 ILE A 158 10.607 5.692 4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 158 10.546 8.374 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 158 11.436 7.722 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.112 6.783 1.856 1.00 0.00 H new ATOM 0 HD11 ILE A 158 11.937 5.976 6.374 1.00 0.00 H new ATOM 0 HD12 ILE A 158 12.942 5.284 5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 158 13.093 7.007 5.499 1.00 0.00 H new ATOM 392 N LEU A 159 11.376 4.713 0.415 1.00 0.00 N ATOM 393 CA LEU A 159 11.135 4.569 -1.010 1.00 0.00 C ATOM 394 C LEU A 159 9.630 4.442 -1.258 1.00 0.00 C ATOM 395 O LEU A 159 8.835 4.506 -0.322 1.00 0.00 O ATOM 396 CB LEU A 159 11.951 3.404 -1.576 1.00 0.00 C ATOM 397 CG LEU A 159 13.347 3.214 -0.981 1.00 0.00 C ATOM 398 CD1 LEU A 159 13.282 2.428 0.331 1.00 0.00 C ATOM 399 CD2 LEU A 159 14.290 2.560 -1.993 1.00 0.00 C ATOM 0 H LEU A 159 10.727 4.200 1.012 1.00 0.00 H new ATOM 0 HA LEU A 159 11.474 5.456 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.386 2.484 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.052 3.546 -2.652 1.00 0.00 H new ATOM 0 HG LEU A 159 13.755 4.197 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 159 14.288 2.307 0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.667 2.970 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 159 12.845 1.447 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 159 15.276 2.436 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 159 13.897 1.585 -2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.370 3.193 -2.877 1.00 0.00 H new ATOM 411 N ARG A 160 9.284 4.266 -2.525 1.00 0.00 N ATOM 412 CA ARG A 160 7.889 4.131 -2.909 1.00 0.00 C ATOM 413 C ARG A 160 7.707 2.922 -3.829 1.00 0.00 C ATOM 414 O ARG A 160 8.593 2.600 -4.619 1.00 0.00 O ATOM 415 CB ARG A 160 7.389 5.387 -3.624 1.00 0.00 C ATOM 416 CG ARG A 160 6.178 5.073 -4.504 1.00 0.00 C ATOM 417 CD ARG A 160 6.602 4.844 -5.956 1.00 0.00 C ATOM 418 NE ARG A 160 5.894 5.792 -6.845 1.00 0.00 N ATOM 419 CZ ARG A 160 4.671 5.577 -7.351 1.00 0.00 C ATOM 420 NH1 ARG A 160 4.014 4.446 -7.059 1.00 0.00 N ATOM 421 NH2 ARG A 160 4.106 6.493 -8.149 1.00 0.00 N ATOM 0 H ARG A 160 9.946 4.214 -3.299 1.00 0.00 H new ATOM 0 HA ARG A 160 7.307 3.991 -1.998 1.00 0.00 H new ATOM 0 HB2 ARG A 160 7.121 6.146 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 160 8.189 5.804 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 160 5.669 4.187 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 160 5.465 5.896 -4.455 1.00 0.00 H new ATOM 0 HD2 ARG A 160 7.680 4.976 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 160 6.378 3.819 -6.252 1.00 0.00 H new ATOM 0 HE ARG A 160 6.366 6.663 -7.088 1.00 0.00 H new ATOM 0 HH11 ARG A 160 4.444 3.749 -6.452 1.00 0.00 H new ATOM 0 HH12 ARG A 160 3.084 4.283 -7.444 1.00 0.00 H new ATOM 0 HH21 ARG A 160 4.606 7.354 -8.371 1.00 0.00 H new ATOM 0 HH22 ARG A 160 3.176 6.330 -8.534 1.00 0.00 H new ATOM 435 N ILE A 161 6.551 2.287 -3.697 1.00 0.00 N ATOM 436 CA ILE A 161 6.242 1.121 -4.507 1.00 0.00 C ATOM 437 C ILE A 161 5.689 1.577 -5.859 1.00 0.00 C ATOM 438 O ILE A 161 4.712 2.321 -5.915 1.00 0.00 O ATOM 439 CB ILE A 161 5.309 0.175 -3.750 1.00 0.00 C ATOM 440 CG1 ILE A 161 6.081 -1.018 -3.182 1.00 0.00 C ATOM 441 CG2 ILE A 161 4.141 -0.267 -4.633 1.00 0.00 C ATOM 442 CD1 ILE A 161 7.203 -0.551 -2.251 1.00 0.00 C ATOM 0 H ILE A 161 5.818 2.558 -3.042 1.00 0.00 H new ATOM 0 HA ILE A 161 7.146 0.547 -4.708 1.00 0.00 H new ATOM 0 HB ILE A 161 4.886 0.718 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 161 5.399 -1.671 -2.637 1.00 0.00 H new ATOM 0 HG13 ILE A 161 6.501 -1.606 -3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 161 3.493 -0.939 -4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.571 0.607 -4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.525 -0.785 -5.512 1.00 0.00 H new ATOM 0 HD11 ILE A 161 7.736 -1.418 -1.861 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.896 0.082 -2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 161 6.777 0.016 -1.423 1.00 0.00 H new ATOM 454 N ARG A 162 6.339 1.112 -6.916 1.00 0.00 N ATOM 455 CA ARG A 162 5.925 1.464 -8.264 1.00 0.00 C ATOM 456 C ARG A 162 5.109 0.327 -8.881 1.00 0.00 C ATOM 457 O ARG A 162 4.007 0.550 -9.380 1.00 0.00 O ATOM 458 CB ARG A 162 7.135 1.754 -9.154 1.00 0.00 C ATOM 459 CG ARG A 162 6.709 1.963 -10.608 1.00 0.00 C ATOM 460 CD ARG A 162 7.925 1.988 -11.537 1.00 0.00 C ATOM 461 NE ARG A 162 7.723 2.992 -12.607 1.00 0.00 N ATOM 462 CZ ARG A 162 7.073 2.748 -13.753 1.00 0.00 C ATOM 463 NH1 ARG A 162 6.558 1.533 -13.986 1.00 0.00 N ATOM 464 NH2 ARG A 162 6.939 3.720 -14.667 1.00 0.00 N ATOM 0 H ARG A 162 7.149 0.495 -6.866 1.00 0.00 H new ATOM 0 HA ARG A 162 5.312 2.363 -8.199 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.653 2.642 -8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 162 7.842 0.926 -9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 162 6.032 1.164 -10.911 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.158 2.899 -10.698 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.823 2.227 -10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 162 8.078 1.002 -11.976 1.00 0.00 H new ATOM 0 HE ARG A 162 8.102 3.928 -12.462 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.661 0.794 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 162 6.063 1.348 -14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 162 7.332 4.644 -14.490 1.00 0.00 H new ATOM 0 HH22 ARG A 162 6.444 3.535 -15.540 1.00 0.00 H new ATOM 478 N ASP A 163 5.680 -0.867 -8.825 1.00 0.00 N ATOM 479 CA ASP A 163 5.018 -2.040 -9.373 1.00 0.00 C ATOM 480 C ASP A 163 5.450 -3.278 -8.586 1.00 0.00 C ATOM 481 O ASP A 163 6.445 -3.243 -7.864 1.00 0.00 O ATOM 482 CB ASP A 163 5.401 -2.254 -10.839 1.00 0.00 C ATOM 483 CG ASP A 163 6.501 -1.328 -11.362 1.00 0.00 C ATOM 484 OD1 ASP A 163 7.486 -1.139 -10.615 1.00 0.00 O ATOM 485 OD2 ASP A 163 6.333 -0.832 -12.497 1.00 0.00 O ATOM 0 H ASP A 163 6.593 -1.048 -8.409 1.00 0.00 H new ATOM 0 HA ASP A 163 3.942 -1.885 -9.301 1.00 0.00 H new ATOM 0 HB2 ASP A 163 5.725 -3.287 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 163 4.511 -2.120 -11.454 1.00 0.00 H new ATOM 490 N LYS A 164 4.680 -4.343 -8.751 1.00 0.00 N ATOM 491 CA LYS A 164 4.970 -5.591 -8.064 1.00 0.00 C ATOM 492 C LYS A 164 5.269 -6.679 -9.097 1.00 0.00 C ATOM 493 O LYS A 164 4.364 -7.382 -9.543 1.00 0.00 O ATOM 494 CB LYS A 164 3.836 -5.950 -7.103 1.00 0.00 C ATOM 495 CG LYS A 164 3.204 -4.691 -6.504 1.00 0.00 C ATOM 496 CD LYS A 164 3.781 -4.394 -5.118 1.00 0.00 C ATOM 497 CE LYS A 164 4.767 -3.226 -5.174 1.00 0.00 C ATOM 498 NZ LYS A 164 6.126 -3.708 -5.511 1.00 0.00 N ATOM 0 H LYS A 164 3.855 -4.368 -9.351 1.00 0.00 H new ATOM 0 HA LYS A 164 5.860 -5.486 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 164 3.076 -6.526 -7.631 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.219 -6.584 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 164 3.380 -3.842 -7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 164 2.124 -4.821 -6.432 1.00 0.00 H new ATOM 0 HD2 LYS A 164 2.972 -4.159 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 164 4.284 -5.281 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 164 4.438 -2.500 -5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 164 4.785 -2.712 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 6.831 -3.021 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 6.292 -4.627 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 6.211 -3.815 -6.542 1.00 0.00 H new ATOM 512 N PRO A 165 6.576 -6.786 -9.458 1.00 0.00 N ATOM 513 CA PRO A 165 7.005 -7.777 -10.429 1.00 0.00 C ATOM 514 C PRO A 165 7.024 -9.178 -9.815 1.00 0.00 C ATOM 515 O PRO A 165 6.714 -10.159 -10.487 1.00 0.00 O ATOM 516 CB PRO A 165 8.378 -7.311 -10.887 1.00 0.00 C ATOM 517 CG PRO A 165 8.865 -6.341 -9.822 1.00 0.00 C ATOM 518 CD PRO A 165 7.675 -5.970 -8.951 1.00 0.00 C ATOM 0 HA PRO A 165 6.323 -7.857 -11.275 1.00 0.00 H new ATOM 0 HB2 PRO A 165 9.062 -8.153 -10.990 1.00 0.00 H new ATOM 0 HB3 PRO A 165 8.321 -6.825 -11.861 1.00 0.00 H new ATOM 0 HG2 PRO A 165 9.651 -6.798 -9.220 1.00 0.00 H new ATOM 0 HG3 PRO A 165 9.293 -5.451 -10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.873 -6.181 -7.900 1.00 0.00 H new ATOM 0 HD3 PRO A 165 7.446 -4.907 -9.025 1.00 0.00 H new ATOM 526 N GLU A 166 7.391 -9.225 -8.542 1.00 0.00 N ATOM 527 CA GLU A 166 7.455 -10.489 -7.828 1.00 0.00 C ATOM 528 C GLU A 166 6.472 -10.486 -6.656 1.00 0.00 C ATOM 529 O GLU A 166 5.536 -9.687 -6.628 1.00 0.00 O ATOM 530 CB GLU A 166 8.879 -10.776 -7.348 1.00 0.00 C ATOM 531 CG GLU A 166 9.893 -10.545 -8.470 1.00 0.00 C ATOM 532 CD GLU A 166 10.105 -11.822 -9.288 1.00 0.00 C ATOM 533 OE1 GLU A 166 10.010 -12.908 -8.679 1.00 0.00 O ATOM 534 OE2 GLU A 166 10.357 -11.681 -10.505 1.00 0.00 O ATOM 0 H GLU A 166 7.647 -8.408 -7.987 1.00 0.00 H new ATOM 0 HA GLU A 166 7.170 -11.287 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 166 9.117 -10.134 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 166 8.948 -11.806 -6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 166 9.543 -9.745 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 166 10.842 -10.219 -8.046 1.00 0.00 H new ATOM 541 N GLU A 167 6.716 -11.388 -5.717 1.00 0.00 N ATOM 542 CA GLU A 167 5.864 -11.499 -4.545 1.00 0.00 C ATOM 543 C GLU A 167 6.637 -11.098 -3.287 1.00 0.00 C ATOM 544 O GLU A 167 6.156 -10.293 -2.491 1.00 0.00 O ATOM 545 CB GLU A 167 5.297 -12.915 -4.412 1.00 0.00 C ATOM 546 CG GLU A 167 3.813 -12.877 -4.040 1.00 0.00 C ATOM 547 CD GLU A 167 3.065 -14.065 -4.650 1.00 0.00 C ATOM 548 OE1 GLU A 167 2.960 -14.091 -5.894 1.00 0.00 O ATOM 549 OE2 GLU A 167 2.615 -14.921 -3.856 1.00 0.00 O ATOM 0 H GLU A 167 7.492 -12.049 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 167 5.023 -10.816 -4.665 1.00 0.00 H new ATOM 0 HB2 GLU A 167 5.427 -13.453 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 167 5.853 -13.463 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 167 3.706 -12.893 -2.955 1.00 0.00 H new ATOM 0 HG3 GLU A 167 3.370 -11.945 -4.391 1.00 0.00 H new ATOM 556 N GLN A 168 7.820 -11.677 -3.148 1.00 0.00 N ATOM 557 CA GLN A 168 8.663 -11.391 -2.000 1.00 0.00 C ATOM 558 C GLN A 168 9.447 -10.096 -2.227 1.00 0.00 C ATOM 559 O GLN A 168 9.887 -9.457 -1.273 1.00 0.00 O ATOM 560 CB GLN A 168 9.606 -12.558 -1.707 1.00 0.00 C ATOM 561 CG GLN A 168 10.265 -13.067 -2.991 1.00 0.00 C ATOM 562 CD GLN A 168 11.587 -13.776 -2.686 1.00 0.00 C ATOM 563 OE1 GLN A 168 12.049 -13.824 -1.559 1.00 0.00 O ATOM 564 NE2 GLN A 168 12.165 -14.323 -3.751 1.00 0.00 N ATOM 0 H GLN A 168 8.215 -12.343 -3.812 1.00 0.00 H new ATOM 0 HA GLN A 168 8.022 -11.258 -1.128 1.00 0.00 H new ATOM 0 HB2 GLN A 168 10.374 -12.241 -1.001 1.00 0.00 H new ATOM 0 HB3 GLN A 168 9.052 -13.368 -1.233 1.00 0.00 H new ATOM 0 HG2 GLN A 168 9.590 -13.753 -3.503 1.00 0.00 H new ATOM 0 HG3 GLN A 168 10.444 -12.232 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 168 11.723 -14.245 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 168 13.050 -14.820 -3.652 1.00 0.00 H new ATOM 573 N TRP A 169 9.597 -9.748 -3.497 1.00 0.00 N ATOM 574 CA TRP A 169 10.319 -8.542 -3.862 1.00 0.00 C ATOM 575 C TRP A 169 9.311 -7.539 -4.426 1.00 0.00 C ATOM 576 O TRP A 169 8.415 -7.913 -5.182 1.00 0.00 O ATOM 577 CB TRP A 169 11.457 -8.858 -4.835 1.00 0.00 C ATOM 578 CG TRP A 169 12.715 -9.410 -4.163 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.031 -10.692 -3.930 1.00 0.00 C ATOM 580 CD2 TRP A 169 13.821 -8.642 -3.643 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.255 -10.804 -3.301 1.00 0.00 N ATOM 582 CE2 TRP A 169 14.750 -9.518 -3.121 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.029 -7.252 -3.616 1.00 0.00 C ATOM 584 CZ2 TRP A 169 15.950 -9.103 -2.533 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.233 -6.853 -3.025 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.179 -7.722 -2.495 1.00 0.00 C ATOM 0 H TRP A 169 9.230 -10.281 -4.286 1.00 0.00 H new ATOM 0 HA TRP A 169 10.797 -8.100 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.103 -9.581 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.717 -7.951 -5.381 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.407 -11.531 -4.200 1.00 0.00 H new ATOM 0 HE1 TRP A 169 14.712 -11.671 -3.020 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.316 -6.548 -4.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 16.661 -9.809 -2.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 15.442 -5.794 -2.977 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.086 -7.334 -2.056 1.00 0.00 H new ATOM 597 N TRP A 170 9.492 -6.285 -4.039 1.00 0.00 N ATOM 598 CA TRP A 170 8.608 -5.225 -4.497 1.00 0.00 C ATOM 599 C TRP A 170 9.454 -4.200 -5.254 1.00 0.00 C ATOM 600 O TRP A 170 10.524 -3.809 -4.791 1.00 0.00 O ATOM 601 CB TRP A 170 7.833 -4.615 -3.328 1.00 0.00 C ATOM 602 CG TRP A 170 6.615 -5.433 -2.894 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.131 -6.551 -3.452 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.741 -5.149 -1.781 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.013 -7.007 -2.783 1.00 0.00 N ATOM 606 CE2 TRP A 170 4.769 -6.128 -1.734 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.772 -4.101 -0.844 1.00 0.00 C ATOM 608 CZ2 TRP A 170 3.755 -6.155 -0.770 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.751 -4.143 0.113 1.00 0.00 C ATOM 610 CH2 TRP A 170 3.765 -5.120 0.174 1.00 0.00 C ATOM 0 H TRP A 170 10.237 -5.979 -3.414 1.00 0.00 H new ATOM 0 HA TRP A 170 7.850 -5.619 -5.174 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.506 -4.505 -2.477 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.505 -3.614 -3.606 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.561 -7.035 -4.316 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.466 -7.836 -3.016 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.523 -3.326 -0.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 3.005 -6.932 -0.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.728 -3.360 0.857 1.00 0.00 H new ATOM 0 HH2 TRP A 170 3.010 -5.082 0.945 1.00 0.00 H new ATOM 621 N ASN A 171 8.942 -3.794 -6.406 1.00 0.00 N ATOM 622 CA ASN A 171 9.637 -2.821 -7.233 1.00 0.00 C ATOM 623 C ASN A 171 9.250 -1.409 -6.785 1.00 0.00 C ATOM 624 O ASN A 171 8.173 -0.920 -7.122 1.00 0.00 O ATOM 625 CB ASN A 171 9.249 -2.972 -8.705 1.00 0.00 C ATOM 626 CG ASN A 171 10.243 -2.243 -9.611 1.00 0.00 C ATOM 627 OD1 ASN A 171 10.671 -1.133 -9.340 1.00 0.00 O ATOM 628 ND2 ASN A 171 10.583 -2.925 -10.700 1.00 0.00 N ATOM 0 H ASN A 171 8.054 -4.121 -6.787 1.00 0.00 H new ATOM 0 HA ASN A 171 10.708 -2.989 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 171 9.217 -4.029 -8.970 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.247 -2.573 -8.863 1.00 0.00 H new ATOM 0 HD21 ASN A 171 11.240 -2.523 -11.369 1.00 0.00 H new ATOM 0 HD22 ASN A 171 10.187 -3.850 -10.866 1.00 0.00 H new ATOM 635 N ALA A 172 10.151 -0.795 -6.032 1.00 0.00 N ATOM 636 CA ALA A 172 9.918 0.550 -5.535 1.00 0.00 C ATOM 637 C ALA A 172 10.996 1.487 -6.087 1.00 0.00 C ATOM 638 O ALA A 172 12.006 1.030 -6.620 1.00 0.00 O ATOM 639 CB ALA A 172 9.890 0.531 -4.006 1.00 0.00 C ATOM 0 H ALA A 172 11.043 -1.204 -5.754 1.00 0.00 H new ATOM 0 HA ALA A 172 8.952 0.923 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.715 1.540 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.090 -0.126 -3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 172 10.845 0.165 -3.629 1.00 0.00 H new ATOM 645 N GLU A 173 10.744 2.779 -5.939 1.00 0.00 N ATOM 646 CA GLU A 173 11.680 3.783 -6.415 1.00 0.00 C ATOM 647 C GLU A 173 12.323 4.512 -5.234 1.00 0.00 C ATOM 648 O GLU A 173 11.633 4.915 -4.299 1.00 0.00 O ATOM 649 CB GLU A 173 10.990 4.770 -7.359 1.00 0.00 C ATOM 650 CG GLU A 173 11.352 4.478 -8.817 1.00 0.00 C ATOM 651 CD GLU A 173 10.528 5.346 -9.771 1.00 0.00 C ATOM 652 OE1 GLU A 173 9.286 5.305 -9.647 1.00 0.00 O ATOM 653 OE2 GLU A 173 11.160 6.031 -10.604 1.00 0.00 O ATOM 0 H GLU A 173 9.905 3.154 -5.496 1.00 0.00 H new ATOM 0 HA GLU A 173 12.467 3.281 -6.978 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.910 4.708 -7.229 1.00 0.00 H new ATOM 0 HB3 GLU A 173 11.284 5.788 -7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.414 4.664 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 173 11.177 3.424 -9.035 1.00 0.00 H new ATOM 660 N ASP A 174 13.637 4.660 -5.316 1.00 0.00 N ATOM 661 CA ASP A 174 14.381 5.334 -4.265 1.00 0.00 C ATOM 662 C ASP A 174 14.191 6.846 -4.401 1.00 0.00 C ATOM 663 O ASP A 174 13.744 7.328 -5.441 1.00 0.00 O ATOM 664 CB ASP A 174 15.877 5.034 -4.370 1.00 0.00 C ATOM 665 CG ASP A 174 16.650 5.129 -3.053 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.772 6.266 -2.548 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.101 4.064 -2.581 1.00 0.00 O ATOM 0 H ASP A 174 14.206 4.325 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 174 14.008 4.976 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.003 4.030 -4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 174 16.322 5.726 -5.085 1.00 0.00 H new ATOM 672 N SER A 175 14.542 7.553 -3.337 1.00 0.00 N ATOM 673 CA SER A 175 14.416 9.000 -3.325 1.00 0.00 C ATOM 674 C SER A 175 15.136 9.598 -4.536 1.00 0.00 C ATOM 675 O SER A 175 14.875 10.738 -4.917 1.00 0.00 O ATOM 676 CB SER A 175 14.977 9.591 -2.029 1.00 0.00 C ATOM 677 OG SER A 175 16.386 9.401 -1.922 1.00 0.00 O ATOM 0 H SER A 175 14.914 7.150 -2.477 1.00 0.00 H new ATOM 0 HA SER A 175 13.357 9.252 -3.379 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.751 10.656 -1.989 1.00 0.00 H new ATOM 0 HB3 SER A 175 14.483 9.127 -1.175 1.00 0.00 H new ATOM 0 HG SER A 175 16.605 8.465 -2.113 1.00 0.00 H new ATOM 683 N GLU A 176 16.027 8.802 -5.107 1.00 0.00 N ATOM 684 CA GLU A 176 16.786 9.238 -6.267 1.00 0.00 C ATOM 685 C GLU A 176 15.958 9.055 -7.542 1.00 0.00 C ATOM 686 O GLU A 176 16.232 9.690 -8.560 1.00 0.00 O ATOM 687 CB GLU A 176 18.116 8.489 -6.365 1.00 0.00 C ATOM 688 CG GLU A 176 18.951 8.688 -5.098 1.00 0.00 C ATOM 689 CD GLU A 176 19.059 7.385 -4.304 1.00 0.00 C ATOM 690 OE1 GLU A 176 19.385 6.359 -4.938 1.00 0.00 O ATOM 691 OE2 GLU A 176 18.814 7.444 -3.079 1.00 0.00 O ATOM 0 H GLU A 176 16.241 7.857 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 176 17.012 10.298 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.929 7.426 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 176 18.674 8.843 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 176 19.948 9.039 -5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.498 9.460 -4.477 1.00 0.00 H new ATOM 698 N GLY A 177 14.965 8.184 -7.444 1.00 0.00 N ATOM 699 CA GLY A 177 14.097 7.910 -8.576 1.00 0.00 C ATOM 700 C GLY A 177 14.564 6.668 -9.338 1.00 0.00 C ATOM 701 O GLY A 177 14.394 6.579 -10.552 1.00 0.00 O ATOM 0 H GLY A 177 14.742 7.659 -6.598 1.00 0.00 H new ATOM 0 HA2 GLY A 177 13.075 7.764 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 177 14.086 8.769 -9.246 1.00 0.00 H new ATOM 705 N LYS A 178 15.144 5.739 -8.591 1.00 0.00 N ATOM 706 CA LYS A 178 15.637 4.506 -9.181 1.00 0.00 C ATOM 707 C LYS A 178 14.658 3.371 -8.873 1.00 0.00 C ATOM 708 O LYS A 178 14.426 3.045 -7.710 1.00 0.00 O ATOM 709 CB LYS A 178 17.069 4.226 -8.717 1.00 0.00 C ATOM 710 CG LYS A 178 17.219 4.482 -7.215 1.00 0.00 C ATOM 711 CD LYS A 178 18.263 3.548 -6.602 1.00 0.00 C ATOM 712 CE LYS A 178 19.679 3.985 -6.978 1.00 0.00 C ATOM 713 NZ LYS A 178 20.085 3.378 -8.266 1.00 0.00 N ATOM 0 H LYS A 178 15.283 5.816 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 178 15.689 4.597 -10.266 1.00 0.00 H new ATOM 0 HB2 LYS A 178 17.332 3.192 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 178 17.764 4.859 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 178 17.510 5.519 -7.046 1.00 0.00 H new ATOM 0 HG3 LYS A 178 16.259 4.335 -6.720 1.00 0.00 H new ATOM 0 HD2 LYS A 178 18.157 3.541 -5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.090 2.528 -6.946 1.00 0.00 H new ATOM 0 HE2 LYS A 178 19.723 5.072 -7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 178 20.377 3.690 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 21.047 2.992 -8.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 19.426 2.612 -8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 20.068 4.103 -9.012 1.00 0.00 H new ATOM 727 N ARG A 179 14.110 2.801 -9.936 1.00 0.00 N ATOM 728 CA ARG A 179 13.160 1.711 -9.795 1.00 0.00 C ATOM 729 C ARG A 179 13.897 0.371 -9.732 1.00 0.00 C ATOM 730 O ARG A 179 14.538 -0.035 -10.700 1.00 0.00 O ATOM 731 CB ARG A 179 12.171 1.686 -10.961 1.00 0.00 C ATOM 732 CG ARG A 179 12.095 3.054 -11.644 1.00 0.00 C ATOM 733 CD ARG A 179 10.711 3.286 -12.253 1.00 0.00 C ATOM 734 NE ARG A 179 10.815 4.200 -13.411 1.00 0.00 N ATOM 735 CZ ARG A 179 11.098 3.803 -14.659 1.00 0.00 C ATOM 736 NH1 ARG A 179 11.308 2.505 -14.918 1.00 0.00 N ATOM 737 NH2 ARG A 179 11.172 4.703 -15.649 1.00 0.00 N ATOM 0 H ARG A 179 14.306 3.074 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 179 12.607 1.871 -8.869 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.476 0.930 -11.685 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.183 1.401 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 179 12.314 3.839 -10.920 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.855 3.118 -12.423 1.00 0.00 H new ATOM 0 HD2 ARG A 179 10.279 2.336 -12.567 1.00 0.00 H new ATOM 0 HD3 ARG A 179 10.041 3.709 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 179 10.662 5.195 -13.249 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.252 1.819 -14.165 1.00 0.00 H new ATOM 0 HH12 ARG A 179 11.523 2.203 -15.868 1.00 0.00 H new ATOM 0 HH21 ARG A 179 11.013 5.691 -15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 179 11.388 4.400 -16.599 1.00 0.00 H new ATOM 751 N GLY A 180 13.782 -0.279 -8.583 1.00 0.00 N ATOM 752 CA GLY A 180 14.428 -1.564 -8.381 1.00 0.00 C ATOM 753 C GLY A 180 13.616 -2.444 -7.429 1.00 0.00 C ATOM 754 O GLY A 180 12.577 -2.022 -6.923 1.00 0.00 O ATOM 0 H GLY A 180 13.250 0.061 -7.782 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.545 -2.071 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.429 -1.412 -7.977 1.00 0.00 H new ATOM 758 N MET A 181 14.119 -3.650 -7.215 1.00 0.00 N ATOM 759 CA MET A 181 13.452 -4.593 -6.333 1.00 0.00 C ATOM 760 C MET A 181 13.873 -4.374 -4.877 1.00 0.00 C ATOM 761 O MET A 181 15.053 -4.182 -4.591 1.00 0.00 O ATOM 762 CB MET A 181 13.801 -6.022 -6.756 1.00 0.00 C ATOM 763 CG MET A 181 12.670 -6.641 -7.581 1.00 0.00 C ATOM 764 SD MET A 181 13.007 -6.445 -9.322 1.00 0.00 S ATOM 765 CE MET A 181 12.055 -4.973 -9.659 1.00 0.00 C ATOM 0 H MET A 181 14.981 -3.996 -7.637 1.00 0.00 H new ATOM 0 HA MET A 181 12.376 -4.434 -6.409 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.722 -6.018 -7.340 1.00 0.00 H new ATOM 0 HB3 MET A 181 13.987 -6.632 -5.872 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.569 -7.699 -7.339 1.00 0.00 H new ATOM 0 HG3 MET A 181 11.722 -6.164 -7.330 1.00 0.00 H new ATOM 0 HE1 MET A 181 11.721 -4.985 -10.697 1.00 0.00 H new ATOM 0 HE2 MET A 181 11.188 -4.942 -8.999 1.00 0.00 H new ATOM 0 HE3 MET A 181 12.674 -4.092 -9.487 1.00 0.00 H new ATOM 775 N ILE A 182 12.883 -4.411 -3.998 1.00 0.00 N ATOM 776 CA ILE A 182 13.135 -4.218 -2.580 1.00 0.00 C ATOM 777 C ILE A 182 12.431 -5.321 -1.787 1.00 0.00 C ATOM 778 O ILE A 182 11.324 -5.731 -2.135 1.00 0.00 O ATOM 779 CB ILE A 182 12.738 -2.803 -2.152 1.00 0.00 C ATOM 780 CG1 ILE A 182 13.480 -2.387 -0.880 1.00 0.00 C ATOM 781 CG2 ILE A 182 11.221 -2.683 -1.997 1.00 0.00 C ATOM 782 CD1 ILE A 182 13.379 -0.878 -0.655 1.00 0.00 C ATOM 0 H ILE A 182 11.905 -4.572 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 182 14.201 -4.302 -2.368 1.00 0.00 H new ATOM 0 HB ILE A 182 13.036 -2.111 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 182 13.063 -2.915 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 182 14.528 -2.678 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 182 10.966 -1.668 -1.692 1.00 0.00 H new ATOM 0 HG22 ILE A 182 10.739 -2.908 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 182 10.876 -3.387 -1.240 1.00 0.00 H new ATOM 0 HD11 ILE A 182 13.915 -0.609 0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 182 13.819 -0.353 -1.503 1.00 0.00 H new ATOM 0 HD13 ILE A 182 12.331 -0.594 -0.557 1.00 0.00 H new ATOM 794 N PRO A 183 13.117 -5.782 -0.708 1.00 0.00 N ATOM 795 CA PRO A 183 12.569 -6.829 0.138 1.00 0.00 C ATOM 796 C PRO A 183 11.457 -6.282 1.035 1.00 0.00 C ATOM 797 O PRO A 183 11.580 -5.190 1.587 1.00 0.00 O ATOM 798 CB PRO A 183 13.756 -7.363 0.921 1.00 0.00 C ATOM 799 CG PRO A 183 14.832 -6.294 0.831 1.00 0.00 C ATOM 800 CD PRO A 183 14.429 -5.320 -0.265 1.00 0.00 C ATOM 0 HA PRO A 183 12.095 -7.627 -0.433 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.484 -7.556 1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.107 -8.306 0.502 1.00 0.00 H new ATOM 0 HG2 PRO A 183 14.936 -5.775 1.784 1.00 0.00 H new ATOM 0 HG3 PRO A 183 15.799 -6.743 0.606 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.383 -4.298 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.148 -5.326 -1.084 1.00 0.00 H new ATOM 808 N VAL A 184 10.397 -7.068 1.154 1.00 0.00 N ATOM 809 CA VAL A 184 9.264 -6.677 1.976 1.00 0.00 C ATOM 810 C VAL A 184 9.662 -6.744 3.451 1.00 0.00 C ATOM 811 O VAL A 184 9.227 -5.920 4.253 1.00 0.00 O ATOM 812 CB VAL A 184 8.051 -7.548 1.643 1.00 0.00 C ATOM 813 CG1 VAL A 184 6.964 -7.404 2.710 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.503 -7.218 0.254 1.00 0.00 C ATOM 0 H VAL A 184 10.299 -7.974 0.695 1.00 0.00 H new ATOM 0 HA VAL A 184 8.976 -5.647 1.764 1.00 0.00 H new ATOM 0 HB VAL A 184 8.377 -8.588 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.113 -8.033 2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.361 -7.712 3.677 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.643 -6.364 2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.641 -7.851 0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.200 -6.171 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.276 -7.396 -0.494 1.00 0.00 H new ATOM 824 N PRO A 185 10.507 -7.760 3.773 1.00 0.00 N ATOM 825 CA PRO A 185 10.969 -7.947 5.138 1.00 0.00 C ATOM 826 C PRO A 185 12.027 -6.904 5.505 1.00 0.00 C ATOM 827 O PRO A 185 11.763 -5.997 6.294 1.00 0.00 O ATOM 828 CB PRO A 185 11.496 -9.371 5.184 1.00 0.00 C ATOM 829 CG PRO A 185 11.739 -9.772 3.739 1.00 0.00 C ATOM 830 CD PRO A 185 11.043 -8.756 2.849 1.00 0.00 C ATOM 0 HA PRO A 185 10.177 -7.807 5.874 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.416 -9.428 5.765 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.777 -10.038 5.659 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.807 -9.798 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.351 -10.773 3.551 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.740 -8.306 2.142 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.250 -9.220 2.263 1.00 0.00 H new ATOM 838 N TYR A 186 13.202 -7.068 4.916 1.00 0.00 N ATOM 839 CA TYR A 186 14.302 -6.153 5.172 1.00 0.00 C ATOM 840 C TYR A 186 13.800 -4.713 5.292 1.00 0.00 C ATOM 841 O TYR A 186 14.414 -3.891 5.970 1.00 0.00 O ATOM 842 CB TYR A 186 15.228 -6.257 3.958 1.00 0.00 C ATOM 843 CG TYR A 186 16.570 -6.929 4.257 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.603 -8.170 4.860 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.749 -6.293 3.924 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.865 -8.802 5.141 1.00 0.00 C ATOM 847 CE2 TYR A 186 19.012 -6.926 4.205 1.00 0.00 C ATOM 848 CZ TYR A 186 19.007 -8.148 4.799 1.00 0.00 C ATOM 849 OH TYR A 186 20.201 -8.746 5.065 1.00 0.00 O ATOM 0 H TYR A 186 13.417 -7.821 4.262 1.00 0.00 H new ATOM 0 HA TYR A 186 14.804 -6.408 6.105 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.720 -6.816 3.173 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.413 -5.256 3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.681 -8.667 5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.724 -5.321 3.453 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.904 -9.773 5.612 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.942 -6.440 3.949 1.00 0.00 H new ATOM 0 HH TYR A 186 20.932 -8.165 4.766 1.00 0.00 H new ATOM 859 N VAL A 187 12.687 -4.450 4.622 1.00 0.00 N ATOM 860 CA VAL A 187 12.094 -3.123 4.645 1.00 0.00 C ATOM 861 C VAL A 187 10.691 -3.206 5.247 1.00 0.00 C ATOM 862 O VAL A 187 10.217 -4.292 5.581 1.00 0.00 O ATOM 863 CB VAL A 187 12.108 -2.520 3.239 1.00 0.00 C ATOM 864 CG1 VAL A 187 13.381 -2.909 2.487 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.860 -2.932 2.455 1.00 0.00 C ATOM 0 H VAL A 187 12.180 -5.134 4.060 1.00 0.00 H new ATOM 0 HA VAL A 187 12.678 -2.454 5.277 1.00 0.00 H new ATOM 0 HB VAL A 187 12.099 -1.435 3.340 1.00 0.00 H new ATOM 0 HG11 VAL A 187 13.365 -2.467 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 187 14.251 -2.544 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.436 -3.994 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.894 -2.491 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.826 -4.018 2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.970 -2.581 2.977 1.00 0.00 H new ATOM 875 N GLU A 188 10.063 -2.046 5.368 1.00 0.00 N ATOM 876 CA GLU A 188 8.722 -1.974 5.924 1.00 0.00 C ATOM 877 C GLU A 188 7.847 -1.046 5.079 1.00 0.00 C ATOM 878 O GLU A 188 8.187 -0.734 3.939 1.00 0.00 O ATOM 879 CB GLU A 188 8.758 -1.514 7.384 1.00 0.00 C ATOM 880 CG GLU A 188 9.843 -2.257 8.165 1.00 0.00 C ATOM 881 CD GLU A 188 9.245 -3.009 9.356 1.00 0.00 C ATOM 882 OE1 GLU A 188 8.740 -2.319 10.267 1.00 0.00 O ATOM 883 OE2 GLU A 188 9.307 -4.257 9.327 1.00 0.00 O ATOM 0 H GLU A 188 10.458 -1.148 5.090 1.00 0.00 H new ATOM 0 HA GLU A 188 8.286 -2.973 5.902 1.00 0.00 H new ATOM 0 HB2 GLU A 188 8.944 -0.441 7.427 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.787 -1.688 7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.354 -2.959 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.592 -1.548 8.517 1.00 0.00 H new ATOM 890 N LYS A 189 6.736 -0.633 5.670 1.00 0.00 N ATOM 891 CA LYS A 189 5.808 0.251 4.986 1.00 0.00 C ATOM 892 C LYS A 189 6.094 1.697 5.396 1.00 0.00 C ATOM 893 O LYS A 189 6.805 1.941 6.369 1.00 0.00 O ATOM 894 CB LYS A 189 4.364 -0.186 5.239 1.00 0.00 C ATOM 895 CG LYS A 189 3.486 0.086 4.016 1.00 0.00 C ATOM 896 CD LYS A 189 3.842 -0.857 2.865 1.00 0.00 C ATOM 897 CE LYS A 189 2.849 -0.710 1.709 1.00 0.00 C ATOM 898 NZ LYS A 189 3.223 0.434 0.848 1.00 0.00 N ATOM 0 H LYS A 189 6.457 -0.894 6.616 1.00 0.00 H new ATOM 0 HA LYS A 189 5.949 0.190 3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.339 -1.249 5.480 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.965 0.346 6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.436 -0.039 4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.612 1.120 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.851 -0.642 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 189 3.842 -1.887 3.221 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.830 -1.626 1.119 1.00 0.00 H new ATOM 0 HE3 LYS A 189 1.843 -0.563 2.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 2.448 0.637 0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 3.400 1.271 1.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 4.084 0.200 0.314 1.00 0.00 H new ATOM 912 N TYR A 190 5.524 2.619 4.632 1.00 0.00 N ATOM 913 CA TYR A 190 5.709 4.034 4.904 1.00 0.00 C ATOM 914 C TYR A 190 7.076 4.513 4.411 1.00 0.00 C ATOM 915 O TYR A 190 8.045 3.756 4.424 1.00 0.00 O ATOM 916 CB TYR A 190 5.647 4.184 6.425 1.00 0.00 C ATOM 917 CG TYR A 190 4.973 5.473 6.897 1.00 0.00 C ATOM 918 CD1 TYR A 190 5.522 6.697 6.575 1.00 0.00 C ATOM 919 CD2 TYR A 190 3.814 5.412 7.645 1.00 0.00 C ATOM 920 CE1 TYR A 190 4.888 7.910 7.020 1.00 0.00 C ATOM 921 CE2 TYR A 190 3.179 6.625 8.089 1.00 0.00 C ATOM 922 CZ TYR A 190 3.748 7.815 7.755 1.00 0.00 C ATOM 923 OH TYR A 190 3.148 8.961 8.175 1.00 0.00 O ATOM 0 H TYR A 190 4.934 2.413 3.826 1.00 0.00 H new ATOM 0 HA TYR A 190 4.947 4.625 4.395 1.00 0.00 H new ATOM 0 HB2 TYR A 190 5.110 3.332 6.842 1.00 0.00 H new ATOM 0 HB3 TYR A 190 6.660 4.149 6.825 1.00 0.00 H new ATOM 0 HD1 TYR A 190 6.428 6.745 5.989 1.00 0.00 H new ATOM 0 HD2 TYR A 190 3.384 4.454 7.897 1.00 0.00 H new ATOM 0 HE1 TYR A 190 5.308 8.874 6.776 1.00 0.00 H new ATOM 0 HE2 TYR A 190 2.272 6.591 8.674 1.00 0.00 H new ATOM 0 HH TYR A 190 2.343 8.740 8.688 1.00 0.00 H new ATOM 933 N GLY A 191 7.110 5.769 3.988 1.00 0.00 N ATOM 934 CA GLY A 191 8.341 6.358 3.491 1.00 0.00 C ATOM 935 C GLY A 191 8.050 7.475 2.488 1.00 0.00 C ATOM 936 O GLY A 191 7.329 7.266 1.514 1.00 0.00 O ATOM 0 H GLY A 191 6.304 6.394 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 191 8.920 6.755 4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 191 8.951 5.589 3.017 1.00 0.00 H new TER 940 GLY A 191