USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 253 hydrogens (4 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 24 CYS SG : rot -77:sc= -33.1! USER MOD Set 1.2: A 36 CYS SG : rot -159:sc= -21.7! USER MOD Single : A 6 ASN : amide:sc= -0.0449 X(o=-0.045,f=-0.29) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -6 K(o=-6,f=-10!) USER MOD Single : A 35 TYR OH : rot -53:sc= -3.56! USER MOD ----------------------------------------------------------------- HETATM 1 C 4LT A 1 -0.944 3.408 -7.979 1.00 40.51 C HETATM 2 O 4LT A 1 -0.438 3.617 -9.081 1.00 30.30 O HETATM 3 CA 4LT A 1 -0.968 4.561 -7.005 1.00 51.15 C HETATM 4 CB 4LT A 1 0.096 4.347 -5.937 1.00 34.04 C HETATM 5 F 4LT A 1 -0.709 5.748 -7.685 1.00 53.25 F ATOM 10 N GLY A 2 -1.456 2.232 -7.629 1.00 0.31 N ATOM 11 CA GLY A 2 -1.442 1.113 -8.552 1.00 24.42 C ATOM 12 C GLY A 2 -2.494 0.074 -8.220 1.00 34.12 C ATOM 13 O GLY A 2 -3.692 0.333 -8.339 1.00 73.01 O ATOM 0 H GLY A 2 -1.880 2.035 -6.723 1.00 0.31 H new ATOM 0 HA2 GLY A 2 -1.605 1.480 -9.565 1.00 24.42 H new ATOM 0 HA3 GLY A 2 -0.457 0.646 -8.537 1.00 24.42 H new ATOM 17 N CYS A 3 -2.048 -1.106 -7.803 1.00 72.41 N ATOM 18 CA CYS A 3 -2.960 -2.189 -7.455 1.00 22.53 C ATOM 19 C CYS A 3 -3.321 -2.141 -5.973 1.00 22.12 C ATOM 20 O CYS A 3 -2.495 -2.449 -5.112 1.00 55.23 O ATOM 21 CB CYS A 3 -2.331 -3.542 -7.794 1.00 22.32 C ATOM 22 SG CYS A 3 -3.434 -4.965 -7.518 1.00 73.31 S ATOM 0 H CYS A 3 -1.060 -1.337 -7.698 1.00 72.41 H new ATOM 0 HA CYS A 3 -3.873 -2.064 -8.038 1.00 22.53 H new ATOM 0 HB2 CYS A 3 -2.020 -3.534 -8.839 1.00 22.32 H new ATOM 0 HB3 CYS A 3 -1.430 -3.672 -7.194 1.00 22.32 H new ATOM 27 N ILE A 4 -4.558 -1.753 -5.683 1.00 72.45 N ATOM 28 CA ILE A 4 -5.029 -1.666 -4.307 1.00 23.23 C ATOM 29 C ILE A 4 -6.426 -1.059 -4.241 1.00 2.25 C ATOM 30 O ILE A 4 -6.582 0.147 -4.041 1.00 30.41 O ATOM 31 CB ILE A 4 -4.074 -0.826 -3.438 1.00 12.03 C ATOM 32 CG1 ILE A 4 -4.706 -0.544 -2.073 1.00 74.42 C ATOM 33 CG2 ILE A 4 -3.723 0.475 -4.143 1.00 43.24 C ATOM 34 CD1 ILE A 4 -3.715 -0.568 -0.931 1.00 44.13 C ATOM 0 H ILE A 4 -5.253 -1.494 -6.383 1.00 72.45 H new ATOM 0 HA ILE A 4 -5.060 -2.684 -3.919 1.00 23.23 H new ATOM 0 HB ILE A 4 -3.156 -1.392 -3.283 1.00 12.03 H new ATOM 0 HG12 ILE A 4 -5.192 0.431 -2.101 1.00 74.42 H new ATOM 0 HG13 ILE A 4 -5.485 -1.282 -1.883 1.00 74.42 H new ATOM 0 HG21 ILE A 4 -3.048 1.058 -3.516 1.00 43.24 H new ATOM 0 HG22 ILE A 4 -3.237 0.254 -5.093 1.00 43.24 H new ATOM 0 HG23 ILE A 4 -4.633 1.047 -4.325 1.00 43.24 H new ATOM 0 HD11 ILE A 4 -4.233 -0.360 0.005 1.00 44.13 H new ATOM 0 HD12 ILE A 4 -3.247 -1.551 -0.876 1.00 44.13 H new ATOM 0 HD13 ILE A 4 -2.949 0.190 -1.098 1.00 44.13 H new ATOM 46 N LEU A 5 -7.439 -1.901 -4.407 1.00 74.15 N ATOM 47 CA LEU A 5 -8.826 -1.448 -4.365 1.00 25.21 C ATOM 48 C LEU A 5 -9.703 -2.450 -3.622 1.00 32.41 C ATOM 49 O LEU A 5 -10.926 -2.320 -3.596 1.00 52.41 O ATOM 50 CB LEU A 5 -9.358 -1.240 -5.783 1.00 54.45 C ATOM 51 CG LEU A 5 -9.898 0.156 -6.099 1.00 61.24 C ATOM 52 CD1 LEU A 5 -10.102 0.323 -7.597 1.00 64.12 C ATOM 53 CD2 LEU A 5 -11.199 0.407 -5.351 1.00 70.50 C ATOM 0 H LEU A 5 -7.327 -2.901 -4.572 1.00 74.15 H new ATOM 0 HA LEU A 5 -8.857 -0.499 -3.830 1.00 25.21 H new ATOM 0 HB2 LEU A 5 -8.557 -1.466 -6.487 1.00 54.45 H new ATOM 0 HB3 LEU A 5 -10.153 -1.964 -5.961 1.00 54.45 H new ATOM 0 HG LEU A 5 -9.164 0.891 -5.768 1.00 61.24 H new ATOM 0 HD11 LEU A 5 -10.487 1.322 -7.803 1.00 64.12 H new ATOM 0 HD12 LEU A 5 -9.150 0.187 -8.111 1.00 64.12 H new ATOM 0 HD13 LEU A 5 -10.815 -0.421 -7.952 1.00 64.12 H new ATOM 0 HD21 LEU A 5 -11.568 1.405 -5.588 1.00 70.50 H new ATOM 0 HD22 LEU A 5 -11.940 -0.335 -5.650 1.00 70.50 H new ATOM 0 HD23 LEU A 5 -11.022 0.331 -4.278 1.00 70.50 H new ATOM 65 N ASN A 6 -9.069 -3.450 -3.017 1.00 15.20 N ATOM 66 CA ASN A 6 -9.793 -4.474 -2.272 1.00 2.34 C ATOM 67 C ASN A 6 -8.853 -5.591 -1.829 1.00 45.23 C ATOM 68 O ASN A 6 -9.257 -6.747 -1.712 1.00 1.44 O ATOM 69 CB ASN A 6 -10.924 -5.052 -3.125 1.00 2.44 C ATOM 70 CG ASN A 6 -12.287 -4.853 -2.489 1.00 45.25 C ATOM 71 OD1 ASN A 6 -12.450 -5.018 -1.281 1.00 33.14 O ATOM 72 ND2 ASN A 6 -13.273 -4.496 -3.304 1.00 65.34 N ATOM 0 H ASN A 6 -8.056 -3.573 -3.028 1.00 15.20 H new ATOM 0 HA ASN A 6 -10.219 -4.008 -1.384 1.00 2.34 H new ATOM 0 HB2 ASN A 6 -10.912 -4.580 -4.108 1.00 2.44 H new ATOM 0 HB3 ASN A 6 -10.751 -6.117 -3.281 1.00 2.44 H new ATOM 0 HD21 ASN A 6 -14.212 -4.347 -2.934 1.00 65.34 H new ATOM 0 HD22 ASN A 6 -13.091 -4.371 -4.300 1.00 65.34 H new ATOM 79 N GLY A 7 -7.594 -5.236 -1.585 1.00 35.22 N ATOM 80 CA GLY A 7 -6.616 -6.219 -1.158 1.00 33.42 C ATOM 81 C GLY A 7 -5.290 -5.591 -0.777 1.00 55.23 C ATOM 82 O GLY A 7 -5.074 -4.399 -0.999 1.00 73.34 O ATOM 0 H GLY A 7 -7.235 -4.286 -1.676 1.00 35.22 H new ATOM 0 HA2 GLY A 7 -7.010 -6.773 -0.306 1.00 33.42 H new ATOM 0 HA3 GLY A 7 -6.456 -6.940 -1.960 1.00 33.42 H new ATOM 86 N ARG A 8 -4.401 -6.393 -0.201 1.00 0.40 N ATOM 87 CA ARG A 8 -3.090 -5.907 0.214 1.00 15.20 C ATOM 88 C ARG A 8 -2.020 -6.294 -0.803 1.00 14.43 C ATOM 89 O ARG A 8 -0.841 -5.985 -0.628 1.00 10.13 O ATOM 90 CB ARG A 8 -2.728 -6.467 1.590 1.00 23.25 C ATOM 91 CG ARG A 8 -3.544 -5.871 2.725 1.00 34.13 C ATOM 92 CD ARG A 8 -3.722 -6.863 3.865 1.00 43.44 C ATOM 93 NE ARG A 8 -4.598 -6.343 4.911 1.00 70.00 N ATOM 94 CZ ARG A 8 -4.641 -6.834 6.144 1.00 31.15 C ATOM 95 NH1 ARG A 8 -3.861 -7.851 6.484 1.00 33.13 N ATOM 96 NH2 ARG A 8 -5.465 -6.307 7.041 1.00 31.32 N ATOM 0 H ARG A 8 -4.564 -7.382 -0.011 1.00 0.40 H new ATOM 0 HA ARG A 8 -3.135 -4.819 0.272 1.00 15.20 H new ATOM 0 HB2 ARG A 8 -2.869 -7.548 1.581 1.00 23.25 H new ATOM 0 HB3 ARG A 8 -1.670 -6.285 1.780 1.00 23.25 H new ATOM 0 HG2 ARG A 8 -3.051 -4.973 3.097 1.00 34.13 H new ATOM 0 HG3 ARG A 8 -4.521 -5.566 2.351 1.00 34.13 H new ATOM 0 HD2 ARG A 8 -4.136 -7.793 3.475 1.00 43.44 H new ATOM 0 HD3 ARG A 8 -2.748 -7.102 4.293 1.00 43.44 H new ATOM 0 HE ARG A 8 -5.210 -5.560 4.682 1.00 70.00 H new ATOM 0 HH11 ARG A 8 -3.226 -8.258 5.798 1.00 33.13 H new ATOM 0 HH12 ARG A 8 -3.896 -8.226 7.432 1.00 33.13 H new ATOM 0 HH21 ARG A 8 -6.066 -5.524 6.784 1.00 31.32 H new ATOM 0 HH22 ARG A 8 -5.497 -6.685 7.988 1.00 31.32 H new ATOM 110 N THR A 9 -2.439 -6.972 -1.866 1.00 75.14 N ATOM 111 CA THR A 9 -1.518 -7.403 -2.910 1.00 41.41 C ATOM 112 C THR A 9 -0.533 -8.439 -2.381 1.00 10.22 C ATOM 113 O THR A 9 0.175 -8.194 -1.404 1.00 43.31 O ATOM 114 CB THR A 9 -0.731 -6.213 -3.491 1.00 1.53 C ATOM 115 OG1 THR A 9 -1.458 -4.997 -3.284 1.00 54.41 O ATOM 116 CG2 THR A 9 -0.472 -6.408 -4.977 1.00 31.31 C ATOM 0 H THR A 9 -3.411 -7.235 -2.027 1.00 75.14 H new ATOM 0 HA THR A 9 -2.122 -7.850 -3.699 1.00 41.41 H new ATOM 0 HB THR A 9 0.228 -6.155 -2.976 1.00 1.53 H new ATOM 0 HG1 THR A 9 -0.950 -4.245 -3.655 1.00 54.41 H new ATOM 0 HG21 THR A 9 0.085 -5.555 -5.364 1.00 31.31 H new ATOM 0 HG22 THR A 9 0.107 -7.319 -5.129 1.00 31.31 H new ATOM 0 HG23 THR A 9 -1.422 -6.490 -5.504 1.00 31.31 H new ATOM 124 N ASP A 10 -0.493 -9.596 -3.031 1.00 62.24 N ATOM 125 CA ASP A 10 0.408 -10.670 -2.627 1.00 15.22 C ATOM 126 C ASP A 10 0.360 -10.878 -1.116 1.00 63.44 C ATOM 127 O ASP A 10 1.249 -10.434 -0.389 1.00 45.53 O ATOM 128 CB ASP A 10 1.839 -10.357 -3.066 1.00 53.05 C ATOM 129 CG ASP A 10 2.777 -11.530 -2.861 1.00 51.01 C ATOM 130 OD1 ASP A 10 2.806 -12.076 -1.739 1.00 20.43 O ATOM 131 OD2 ASP A 10 3.483 -11.901 -3.822 1.00 73.14 O ATOM 0 H ASP A 10 -1.074 -9.815 -3.840 1.00 62.24 H new ATOM 0 HA ASP A 10 0.081 -11.589 -3.114 1.00 15.22 H new ATOM 0 HB2 ASP A 10 1.839 -10.075 -4.119 1.00 53.05 H new ATOM 0 HB3 ASP A 10 2.208 -9.498 -2.506 1.00 53.05 H new ATOM 136 N LEU A 11 -0.683 -11.557 -0.650 1.00 43.55 N ATOM 137 CA LEU A 11 -0.847 -11.824 0.774 1.00 10.43 C ATOM 138 C LEU A 11 -1.137 -13.300 1.021 1.00 34.55 C ATOM 139 O LEU A 11 -0.260 -14.054 1.441 1.00 34.24 O ATOM 140 CB LEU A 11 -1.978 -10.967 1.347 1.00 63.03 C ATOM 141 CG LEU A 11 -1.551 -9.801 2.239 1.00 43.00 C ATOM 142 CD1 LEU A 11 -0.883 -10.314 3.505 1.00 63.50 C ATOM 143 CD2 LEU A 11 -0.618 -8.865 1.484 1.00 74.13 C ATOM 0 H LEU A 11 -1.427 -11.932 -1.238 1.00 43.55 H new ATOM 0 HA LEU A 11 0.085 -11.567 1.277 1.00 10.43 H new ATOM 0 HB2 LEU A 11 -2.561 -10.569 0.517 1.00 63.03 H new ATOM 0 HB3 LEU A 11 -2.642 -11.614 1.921 1.00 63.03 H new ATOM 0 HG LEU A 11 -2.442 -9.242 2.524 1.00 43.00 H new ATOM 0 HD11 LEU A 11 -0.586 -9.470 4.127 1.00 63.50 H new ATOM 0 HD12 LEU A 11 -1.582 -10.943 4.056 1.00 63.50 H new ATOM 0 HD13 LEU A 11 -0.001 -10.898 3.240 1.00 63.50 H new ATOM 0 HD21 LEU A 11 -0.324 -8.041 2.135 1.00 74.13 H new ATOM 0 HD22 LEU A 11 0.270 -9.413 1.169 1.00 74.13 H new ATOM 0 HD23 LEU A 11 -1.131 -8.470 0.607 1.00 74.13 H new ATOM 155 N GLY A 12 -2.375 -13.708 0.756 1.00 41.23 N ATOM 156 CA GLY A 12 -2.758 -15.093 0.953 1.00 33.43 C ATOM 157 C GLY A 12 -2.329 -15.983 -0.196 1.00 73.44 C ATOM 158 O GLY A 12 -1.174 -15.947 -0.623 1.00 35.43 O ATOM 0 H GLY A 12 -3.119 -13.103 0.408 1.00 41.23 H new ATOM 0 HA2 GLY A 12 -2.315 -15.461 1.878 1.00 33.43 H new ATOM 0 HA3 GLY A 12 -3.840 -15.154 1.071 1.00 33.43 H new ATOM 162 N THR A 13 -3.261 -16.787 -0.700 1.00 62.12 N ATOM 163 CA THR A 13 -2.973 -17.693 -1.805 1.00 43.53 C ATOM 164 C THR A 13 -2.623 -16.920 -3.072 1.00 73.12 C ATOM 165 O THR A 13 -1.987 -17.454 -3.982 1.00 31.23 O ATOM 166 CB THR A 13 -4.167 -18.621 -2.097 1.00 23.14 C ATOM 167 OG1 THR A 13 -5.316 -18.186 -1.362 1.00 32.43 O ATOM 168 CG2 THR A 13 -3.836 -20.059 -1.727 1.00 74.41 C ATOM 0 H THR A 13 -4.222 -16.829 -0.360 1.00 62.12 H new ATOM 0 HA THR A 13 -2.118 -18.298 -1.503 1.00 43.53 H new ATOM 0 HB THR A 13 -4.382 -18.577 -3.165 1.00 23.14 H new ATOM 0 HG1 THR A 13 -6.071 -18.780 -1.554 1.00 32.43 H new ATOM 0 HG21 THR A 13 -4.694 -20.697 -1.942 1.00 74.41 H new ATOM 0 HG22 THR A 13 -2.978 -20.396 -2.309 1.00 74.41 H new ATOM 0 HG23 THR A 13 -3.598 -20.116 -0.665 1.00 74.41 H new ATOM 176 N LEU A 14 -3.042 -15.661 -3.126 1.00 11.42 N ATOM 177 CA LEU A 14 -2.772 -14.813 -4.282 1.00 74.33 C ATOM 178 C LEU A 14 -1.299 -14.424 -4.340 1.00 42.13 C ATOM 179 O LEU A 14 -0.818 -13.920 -5.356 1.00 71.14 O ATOM 180 CB LEU A 14 -3.642 -13.556 -4.232 1.00 53.01 C ATOM 181 CG LEU A 14 -3.490 -12.587 -5.405 1.00 42.01 C ATOM 182 CD1 LEU A 14 -2.340 -11.624 -5.156 1.00 4.12 C ATOM 183 CD2 LEU A 14 -3.276 -13.351 -6.704 1.00 32.03 C ATOM 0 H LEU A 14 -3.570 -15.204 -2.383 1.00 11.42 H new ATOM 0 HA LEU A 14 -3.015 -15.379 -5.181 1.00 74.33 H new ATOM 0 HB2 LEU A 14 -4.686 -13.863 -4.174 1.00 53.01 H new ATOM 0 HB3 LEU A 14 -3.416 -13.018 -3.311 1.00 53.01 H new ATOM 0 HG LEU A 14 -4.409 -12.008 -5.494 1.00 42.01 H new ATOM 0 HD11 LEU A 14 -2.247 -10.942 -6.001 1.00 4.12 H new ATOM 0 HD12 LEU A 14 -2.534 -11.053 -4.248 1.00 4.12 H new ATOM 0 HD13 LEU A 14 -1.413 -12.186 -5.040 1.00 4.12 H new ATOM 0 HD21 LEU A 14 -3.170 -12.645 -7.528 1.00 32.03 H new ATOM 0 HD22 LEU A 14 -2.373 -13.956 -6.626 1.00 32.03 H new ATOM 0 HD23 LEU A 14 -4.132 -14.000 -6.890 1.00 32.03 H new ATOM 195 N LEU A 15 -0.586 -14.662 -3.245 1.00 62.31 N ATOM 196 CA LEU A 15 0.835 -14.339 -3.171 1.00 52.15 C ATOM 197 C LEU A 15 1.552 -14.739 -4.457 1.00 53.31 C ATOM 198 O LEU A 15 2.490 -14.070 -4.891 1.00 54.41 O ATOM 199 CB LEU A 15 1.477 -15.044 -1.975 1.00 42.34 C ATOM 200 CG LEU A 15 1.918 -16.490 -2.206 1.00 11.31 C ATOM 201 CD1 LEU A 15 2.884 -16.933 -1.119 1.00 3.15 C ATOM 202 CD2 LEU A 15 0.710 -17.414 -2.257 1.00 51.33 C ATOM 0 H LEU A 15 -0.968 -15.078 -2.396 1.00 62.31 H new ATOM 0 HA LEU A 15 0.931 -13.261 -3.044 1.00 52.15 H new ATOM 0 HB2 LEU A 15 2.346 -14.466 -1.662 1.00 42.34 H new ATOM 0 HB3 LEU A 15 0.769 -15.029 -1.147 1.00 42.34 H new ATOM 0 HG LEU A 15 2.433 -16.544 -3.165 1.00 11.31 H new ATOM 0 HD11 LEU A 15 3.187 -17.964 -1.300 1.00 3.15 H new ATOM 0 HD12 LEU A 15 3.764 -16.289 -1.129 1.00 3.15 H new ATOM 0 HD13 LEU A 15 2.395 -16.864 -0.147 1.00 3.15 H new ATOM 0 HD21 LEU A 15 1.043 -18.439 -2.422 1.00 51.33 H new ATOM 0 HD22 LEU A 15 0.167 -17.356 -1.313 1.00 51.33 H new ATOM 0 HD23 LEU A 15 0.053 -17.110 -3.072 1.00 51.33 H new ATOM 214 N PHE A 16 1.103 -15.833 -5.063 1.00 54.21 N ATOM 215 CA PHE A 16 1.700 -16.321 -6.300 1.00 63.52 C ATOM 216 C PHE A 16 0.744 -17.258 -7.033 1.00 64.40 C ATOM 217 O PHE A 16 -0.351 -17.547 -6.550 1.00 41.55 O ATOM 218 CB PHE A 16 3.016 -17.045 -6.005 1.00 34.30 C ATOM 219 CG PHE A 16 4.146 -16.118 -5.661 1.00 30.11 C ATOM 220 CD1 PHE A 16 4.564 -15.150 -6.560 1.00 74.11 C ATOM 221 CD2 PHE A 16 4.791 -16.214 -4.438 1.00 55.12 C ATOM 222 CE1 PHE A 16 5.604 -14.296 -6.246 1.00 60.22 C ATOM 223 CE2 PHE A 16 5.831 -15.362 -4.119 1.00 24.45 C ATOM 224 CZ PHE A 16 6.238 -14.402 -5.024 1.00 12.35 C ATOM 0 H PHE A 16 0.328 -16.398 -4.717 1.00 54.21 H new ATOM 0 HA PHE A 16 1.901 -15.462 -6.941 1.00 63.52 H new ATOM 0 HB2 PHE A 16 2.862 -17.739 -5.179 1.00 34.30 H new ATOM 0 HB3 PHE A 16 3.297 -17.640 -6.874 1.00 34.30 H new ATOM 0 HD1 PHE A 16 4.071 -15.062 -7.517 1.00 74.11 H new ATOM 0 HD2 PHE A 16 4.477 -16.963 -3.726 1.00 55.12 H new ATOM 0 HE1 PHE A 16 5.921 -13.546 -6.956 1.00 60.22 H new ATOM 0 HE2 PHE A 16 6.325 -15.447 -3.162 1.00 24.45 H new ATOM 0 HZ PHE A 16 7.051 -13.735 -4.777 1.00 12.35 H new ATOM 234 N ARG A 17 1.167 -17.730 -8.201 1.00 43.14 N ATOM 235 CA ARG A 17 0.349 -18.633 -9.002 1.00 42.53 C ATOM 236 C ARG A 17 -1.076 -18.103 -9.132 1.00 71.43 C ATOM 237 O ARG A 17 -2.016 -18.867 -9.356 1.00 24.40 O ATOM 238 CB ARG A 17 0.331 -20.029 -8.377 1.00 42.33 C ATOM 239 CG ARG A 17 -0.351 -21.075 -9.244 1.00 2.05 C ATOM 240 CD ARG A 17 -1.495 -21.750 -8.504 1.00 75.13 C ATOM 241 NE ARG A 17 -2.267 -22.630 -9.377 1.00 72.54 N ATOM 242 CZ ARG A 17 -1.844 -23.824 -9.778 1.00 25.14 C ATOM 243 NH1 ARG A 17 -0.661 -24.278 -9.385 1.00 12.44 N ATOM 244 NH2 ARG A 17 -2.603 -24.567 -10.572 1.00 74.12 N ATOM 0 H ARG A 17 2.071 -17.502 -8.614 1.00 43.14 H new ATOM 0 HA ARG A 17 0.788 -18.695 -9.998 1.00 42.53 H new ATOM 0 HB2 ARG A 17 1.356 -20.344 -8.181 1.00 42.33 H new ATOM 0 HB3 ARG A 17 -0.177 -19.980 -7.414 1.00 42.33 H new ATOM 0 HG2 ARG A 17 -0.730 -20.606 -10.152 1.00 2.05 H new ATOM 0 HG3 ARG A 17 0.377 -21.825 -9.552 1.00 2.05 H new ATOM 0 HD2 ARG A 17 -1.097 -22.326 -7.669 1.00 75.13 H new ATOM 0 HD3 ARG A 17 -2.153 -20.990 -8.082 1.00 75.13 H new ATOM 0 HE ARG A 17 -3.181 -22.310 -9.697 1.00 72.54 H new ATOM 0 HH11 ARG A 17 -0.074 -23.710 -8.774 1.00 12.44 H new ATOM 0 HH12 ARG A 17 -0.338 -25.195 -9.694 1.00 12.44 H new ATOM 0 HH21 ARG A 17 -3.513 -24.222 -10.876 1.00 74.12 H new ATOM 0 HH22 ARG A 17 -2.276 -25.483 -10.879 1.00 74.12 H new ATOM 258 N CYS A 18 -1.230 -16.791 -8.990 1.00 62.13 N ATOM 259 CA CYS A 18 -2.540 -16.159 -9.091 1.00 4.24 C ATOM 260 C CYS A 18 -3.587 -17.152 -9.586 1.00 63.21 C ATOM 261 O CYS A 18 -3.630 -17.484 -10.771 1.00 35.33 O ATOM 262 CB CYS A 18 -2.477 -14.955 -10.032 1.00 40.25 C ATOM 263 SG CYS A 18 -1.707 -15.311 -11.645 1.00 33.13 S ATOM 0 H CYS A 18 -0.463 -16.144 -8.805 1.00 62.13 H new ATOM 0 HA CYS A 18 -2.829 -15.820 -8.096 1.00 4.24 H new ATOM 0 HB2 CYS A 18 -3.488 -14.584 -10.198 1.00 40.25 H new ATOM 0 HB3 CYS A 18 -1.920 -14.155 -9.544 1.00 40.25 H new ATOM 268 N ARG A 19 -4.428 -17.622 -8.671 1.00 30.11 N ATOM 269 CA ARG A 19 -5.474 -18.578 -9.014 1.00 52.21 C ATOM 270 C ARG A 19 -6.418 -17.998 -10.063 1.00 42.54 C ATOM 271 O ARG A 19 -7.160 -18.730 -10.717 1.00 54.15 O ATOM 272 CB ARG A 19 -6.264 -18.972 -7.765 1.00 30.13 C ATOM 273 CG ARG A 19 -6.158 -17.962 -6.633 1.00 73.55 C ATOM 274 CD ARG A 19 -5.067 -18.345 -5.646 1.00 11.22 C ATOM 275 NE ARG A 19 -5.137 -19.755 -5.271 1.00 52.33 N ATOM 276 CZ ARG A 19 -4.082 -20.468 -4.892 1.00 55.40 C ATOM 277 NH1 ARG A 19 -2.883 -19.905 -4.837 1.00 31.32 N ATOM 278 NH2 ARG A 19 -4.227 -21.746 -4.567 1.00 5.15 N ATOM 0 H ARG A 19 -4.406 -17.356 -7.686 1.00 30.11 H new ATOM 0 HA ARG A 19 -4.997 -19.466 -9.430 1.00 52.21 H new ATOM 0 HB2 ARG A 19 -7.313 -19.096 -8.033 1.00 30.13 H new ATOM 0 HB3 ARG A 19 -5.909 -19.940 -7.411 1.00 30.13 H new ATOM 0 HG2 ARG A 19 -5.948 -16.974 -7.044 1.00 73.55 H new ATOM 0 HG3 ARG A 19 -7.114 -17.895 -6.113 1.00 73.55 H new ATOM 0 HD2 ARG A 19 -4.092 -18.135 -6.085 1.00 11.22 H new ATOM 0 HD3 ARG A 19 -5.154 -17.728 -4.752 1.00 11.22 H new ATOM 0 HE ARG A 19 -6.046 -20.218 -5.302 1.00 52.33 H new ATOM 0 HH11 ARG A 19 -2.769 -18.922 -5.086 1.00 31.32 H new ATOM 0 HH12 ARG A 19 -2.074 -20.454 -4.546 1.00 31.32 H new ATOM 0 HH21 ARG A 19 -5.149 -22.181 -4.608 1.00 5.15 H new ATOM 0 HH22 ARG A 19 -3.417 -22.293 -4.276 1.00 5.15 H new ATOM 292 N ARG A 20 -6.383 -16.678 -10.218 1.00 12.03 N ATOM 293 CA ARG A 20 -7.236 -15.999 -11.186 1.00 33.41 C ATOM 294 C ARG A 20 -7.170 -14.486 -11.002 1.00 61.03 C ATOM 295 O ARG A 20 -6.977 -13.993 -9.891 1.00 33.44 O ATOM 296 CB ARG A 20 -8.683 -16.478 -11.047 1.00 3.24 C ATOM 297 CG ARG A 20 -9.655 -15.753 -11.963 1.00 2.21 C ATOM 298 CD ARG A 20 -10.622 -16.720 -12.626 1.00 73.52 C ATOM 299 NE ARG A 20 -11.905 -16.091 -12.930 1.00 5.42 N ATOM 300 CZ ARG A 20 -12.857 -16.673 -13.649 1.00 54.00 C ATOM 301 NH1 ARG A 20 -12.673 -17.893 -14.136 1.00 15.54 N ATOM 302 NH2 ARG A 20 -13.997 -16.035 -13.882 1.00 75.45 N ATOM 0 H ARG A 20 -5.773 -16.058 -9.685 1.00 12.03 H new ATOM 0 HA ARG A 20 -6.874 -16.242 -12.185 1.00 33.41 H new ATOM 0 HB2 ARG A 20 -8.725 -17.546 -11.259 1.00 3.24 H new ATOM 0 HB3 ARG A 20 -9.003 -16.345 -10.014 1.00 3.24 H new ATOM 0 HG2 ARG A 20 -10.214 -15.013 -11.390 1.00 2.21 H new ATOM 0 HG3 ARG A 20 -9.100 -15.210 -12.728 1.00 2.21 H new ATOM 0 HD2 ARG A 20 -10.179 -17.102 -13.546 1.00 73.52 H new ATOM 0 HD3 ARG A 20 -10.784 -17.576 -11.971 1.00 73.52 H new ATOM 0 HE ARG A 20 -12.079 -15.153 -12.570 1.00 5.42 H new ATOM 0 HH11 ARG A 20 -11.798 -18.386 -13.958 1.00 15.54 H new ATOM 0 HH12 ARG A 20 -13.406 -18.338 -14.688 1.00 15.54 H new ATOM 0 HH21 ARG A 20 -14.142 -15.097 -13.509 1.00 75.45 H new ATOM 0 HH22 ARG A 20 -14.728 -16.483 -14.435 1.00 75.45 H new ATOM 316 N ASP A 21 -7.330 -13.755 -12.100 1.00 10.33 N ATOM 317 CA ASP A 21 -7.289 -12.298 -12.060 1.00 41.52 C ATOM 318 C ASP A 21 -8.201 -11.758 -10.963 1.00 4.33 C ATOM 319 O ASP A 21 -7.993 -10.655 -10.456 1.00 73.12 O ATOM 320 CB ASP A 21 -7.701 -11.718 -13.414 1.00 51.50 C ATOM 321 CG ASP A 21 -6.997 -12.396 -14.573 1.00 12.31 C ATOM 322 OD1 ASP A 21 -7.320 -13.567 -14.859 1.00 74.40 O ATOM 323 OD2 ASP A 21 -6.123 -11.755 -15.193 1.00 64.23 O ATOM 0 H ASP A 21 -7.489 -14.147 -13.028 1.00 10.33 H new ATOM 0 HA ASP A 21 -6.266 -11.994 -11.839 1.00 41.52 H new ATOM 0 HB2 ASP A 21 -8.779 -11.821 -13.537 1.00 51.50 H new ATOM 0 HB3 ASP A 21 -7.479 -10.651 -13.432 1.00 51.50 H new ATOM 328 N SER A 22 -9.211 -12.542 -10.601 1.00 11.21 N ATOM 329 CA SER A 22 -10.158 -12.141 -9.567 1.00 1.50 C ATOM 330 C SER A 22 -9.437 -11.842 -8.256 1.00 65.21 C ATOM 331 O SER A 22 -9.924 -11.072 -7.428 1.00 22.50 O ATOM 332 CB SER A 22 -11.203 -13.237 -9.349 1.00 43.33 C ATOM 333 OG SER A 22 -12.039 -12.932 -8.246 1.00 63.53 O ATOM 0 H SER A 22 -9.395 -13.459 -11.008 1.00 11.21 H new ATOM 0 HA SER A 22 -10.659 -11.233 -9.901 1.00 1.50 H new ATOM 0 HB2 SER A 22 -11.809 -13.350 -10.248 1.00 43.33 H new ATOM 0 HB3 SER A 22 -10.704 -14.191 -9.178 1.00 43.33 H new ATOM 0 HG SER A 22 -12.699 -13.647 -8.128 1.00 63.53 H new ATOM 339 N ASP A 23 -8.273 -12.457 -8.075 1.00 61.05 N ATOM 340 CA ASP A 23 -7.482 -12.258 -6.866 1.00 54.43 C ATOM 341 C ASP A 23 -6.786 -10.900 -6.890 1.00 71.40 C ATOM 342 O ASP A 23 -6.068 -10.543 -5.956 1.00 45.01 O ATOM 343 CB ASP A 23 -6.447 -13.373 -6.719 1.00 21.44 C ATOM 344 CG ASP A 23 -7.067 -14.754 -6.805 1.00 72.11 C ATOM 345 OD1 ASP A 23 -7.603 -15.229 -5.782 1.00 33.31 O ATOM 346 OD2 ASP A 23 -7.017 -15.359 -7.896 1.00 74.02 O ATOM 0 H ASP A 23 -7.856 -13.098 -8.750 1.00 61.05 H new ATOM 0 HA ASP A 23 -8.157 -12.285 -6.011 1.00 54.43 H new ATOM 0 HB2 ASP A 23 -5.691 -13.268 -7.498 1.00 21.44 H new ATOM 0 HB3 ASP A 23 -5.936 -13.266 -5.762 1.00 21.44 H new ATOM 351 N CYS A 24 -7.003 -10.149 -7.964 1.00 0.40 N ATOM 352 CA CYS A 24 -6.396 -8.831 -8.111 1.00 62.42 C ATOM 353 C CYS A 24 -7.456 -7.735 -8.065 1.00 34.23 C ATOM 354 O CYS A 24 -8.082 -7.399 -9.070 1.00 74.42 O ATOM 355 CB CYS A 24 -5.619 -8.749 -9.427 1.00 21.13 C ATOM 356 SG CYS A 24 -3.818 -8.947 -9.240 1.00 63.42 S ATOM 0 H CYS A 24 -7.595 -10.430 -8.746 1.00 0.40 H new ATOM 0 HA CYS A 24 -5.708 -8.681 -7.279 1.00 62.42 H new ATOM 0 HB2 CYS A 24 -5.990 -9.518 -10.104 1.00 21.13 H new ATOM 0 HB3 CYS A 24 -5.821 -7.786 -9.897 1.00 21.13 H new ATOM 0 HG CYS A 24 -3.304 -7.841 -8.789 1.00 63.42 H new ATOM 361 N PRO A 25 -7.664 -7.163 -6.869 1.00 62.23 N ATOM 362 CA PRO A 25 -8.647 -6.096 -6.662 1.00 73.14 C ATOM 363 C PRO A 25 -8.231 -4.788 -7.326 1.00 13.31 C ATOM 364 O PRO A 25 -9.076 -3.994 -7.740 1.00 64.51 O ATOM 365 CB PRO A 25 -8.682 -5.936 -5.140 1.00 75.35 C ATOM 366 CG PRO A 25 -7.350 -6.417 -4.678 1.00 74.32 C ATOM 367 CD PRO A 25 -6.954 -7.514 -5.628 1.00 3.32 C ATOM 0 HA PRO A 25 -9.614 -6.342 -7.101 1.00 73.14 H new ATOM 0 HB2 PRO A 25 -8.849 -4.897 -4.855 1.00 75.35 H new ATOM 0 HB3 PRO A 25 -9.489 -6.521 -4.699 1.00 75.35 H new ATOM 0 HG2 PRO A 25 -6.618 -5.609 -4.688 1.00 74.32 H new ATOM 0 HG3 PRO A 25 -7.402 -6.787 -3.654 1.00 74.32 H new ATOM 0 HD2 PRO A 25 -5.875 -7.546 -5.778 1.00 3.32 H new ATOM 0 HD3 PRO A 25 -7.253 -8.494 -5.257 1.00 3.32 H new ATOM 375 N GLY A 26 -6.923 -4.569 -7.424 1.00 55.40 N ATOM 376 CA GLY A 26 -6.419 -3.355 -8.039 1.00 3.23 C ATOM 377 C GLY A 26 -6.136 -3.528 -9.518 1.00 22.22 C ATOM 378 O GLY A 26 -6.584 -4.495 -10.133 1.00 31.20 O ATOM 0 H GLY A 26 -6.204 -5.210 -7.089 1.00 55.40 H new ATOM 0 HA2 GLY A 26 -7.145 -2.554 -7.903 1.00 3.23 H new ATOM 0 HA3 GLY A 26 -5.505 -3.047 -7.531 1.00 3.23 H new ATOM 382 N ALA A 27 -5.391 -2.588 -10.090 1.00 73.15 N ATOM 383 CA ALA A 27 -5.049 -2.642 -11.506 1.00 52.33 C ATOM 384 C ALA A 27 -4.358 -3.956 -11.855 1.00 10.52 C ATOM 385 O ALA A 27 -4.542 -4.495 -12.946 1.00 61.23 O ATOM 386 CB ALA A 27 -4.164 -1.462 -11.880 1.00 70.04 C ATOM 0 H ALA A 27 -5.013 -1.780 -9.595 1.00 73.15 H new ATOM 0 HA ALA A 27 -5.974 -2.585 -12.080 1.00 52.33 H new ATOM 0 HB1 ALA A 27 -3.916 -1.515 -12.940 1.00 70.04 H new ATOM 0 HB2 ALA A 27 -4.694 -0.531 -11.677 1.00 70.04 H new ATOM 0 HB3 ALA A 27 -3.247 -1.494 -11.291 1.00 70.04 H new ATOM 392 N CYS A 28 -3.562 -4.466 -10.921 1.00 43.53 N ATOM 393 CA CYS A 28 -2.841 -5.716 -11.130 1.00 15.25 C ATOM 394 C CYS A 28 -3.765 -6.787 -11.702 1.00 54.12 C ATOM 395 O CYS A 28 -4.989 -6.671 -11.625 1.00 61.23 O ATOM 396 CB CYS A 28 -2.232 -6.203 -9.813 1.00 51.04 C ATOM 397 SG CYS A 28 -3.444 -6.429 -8.472 1.00 25.31 S ATOM 0 H CYS A 28 -3.400 -4.033 -10.012 1.00 43.53 H new ATOM 0 HA CYS A 28 -2.041 -5.530 -11.847 1.00 15.25 H new ATOM 0 HB2 CYS A 28 -1.721 -7.149 -9.990 1.00 51.04 H new ATOM 0 HB3 CYS A 28 -1.476 -5.488 -9.488 1.00 51.04 H new ATOM 402 N ILE A 29 -3.171 -7.828 -12.275 1.00 51.15 N ATOM 403 CA ILE A 29 -3.940 -8.920 -12.859 1.00 52.35 C ATOM 404 C ILE A 29 -3.126 -10.209 -12.893 1.00 54.11 C ATOM 405 O ILE A 29 -1.896 -10.179 -12.911 1.00 5.20 O ATOM 406 CB ILE A 29 -4.403 -8.581 -14.289 1.00 11.33 C ATOM 407 CG1 ILE A 29 -3.215 -8.126 -15.139 1.00 1.03 C ATOM 408 CG2 ILE A 29 -5.480 -7.506 -14.256 1.00 22.31 C ATOM 409 CD1 ILE A 29 -3.576 -7.843 -16.580 1.00 51.00 C ATOM 0 H ILE A 29 -2.160 -7.938 -12.347 1.00 51.15 H new ATOM 0 HA ILE A 29 -4.816 -9.063 -12.226 1.00 52.35 H new ATOM 0 HB ILE A 29 -4.826 -9.478 -14.740 1.00 11.33 H new ATOM 0 HG12 ILE A 29 -2.786 -7.227 -14.697 1.00 1.03 H new ATOM 0 HG13 ILE A 29 -2.443 -8.895 -15.111 1.00 1.03 H new ATOM 0 HG21 ILE A 29 -5.797 -7.277 -15.273 1.00 22.31 H new ATOM 0 HG22 ILE A 29 -6.334 -7.864 -13.682 1.00 22.31 H new ATOM 0 HG23 ILE A 29 -5.081 -6.605 -13.789 1.00 22.31 H new ATOM 0 HD11 ILE A 29 -2.686 -7.525 -17.123 1.00 51.00 H new ATOM 0 HD12 ILE A 29 -3.977 -8.747 -17.039 1.00 51.00 H new ATOM 0 HD13 ILE A 29 -4.326 -7.053 -16.619 1.00 51.00 H new ATOM 421 N CYS A 30 -3.822 -11.341 -12.903 1.00 70.02 N ATOM 422 CA CYS A 30 -3.165 -12.642 -12.936 1.00 75.23 C ATOM 423 C CYS A 30 -2.621 -12.942 -14.330 1.00 52.42 C ATOM 424 O CYS A 30 -3.378 -13.031 -15.297 1.00 62.22 O ATOM 425 CB CYS A 30 -4.142 -13.741 -12.512 1.00 12.45 C ATOM 426 SG CYS A 30 -3.603 -15.425 -12.949 1.00 51.20 S ATOM 0 H CYS A 30 -4.841 -11.383 -12.889 1.00 70.02 H new ATOM 0 HA CYS A 30 -2.330 -12.617 -12.236 1.00 75.23 H new ATOM 0 HB2 CYS A 30 -4.288 -13.686 -11.433 1.00 12.45 H new ATOM 0 HB3 CYS A 30 -5.110 -13.550 -12.974 1.00 12.45 H new ATOM 431 N ARG A 31 -1.304 -13.095 -14.425 1.00 35.33 N ATOM 432 CA ARG A 31 -0.658 -13.384 -15.699 1.00 55.45 C ATOM 433 C ARG A 31 0.250 -14.604 -15.585 1.00 4.12 C ATOM 434 O ARG A 31 0.453 -15.139 -14.496 1.00 23.41 O ATOM 435 CB ARG A 31 0.151 -12.174 -16.170 1.00 40.13 C ATOM 436 CG ARG A 31 0.035 -10.969 -15.252 1.00 3.44 C ATOM 437 CD ARG A 31 1.327 -10.725 -14.486 1.00 74.53 C ATOM 438 NE ARG A 31 1.925 -9.436 -14.819 1.00 4.31 N ATOM 439 CZ ARG A 31 2.730 -9.245 -15.859 1.00 31.23 C ATOM 440 NH1 ARG A 31 3.030 -10.256 -16.663 1.00 12.21 N ATOM 441 NH2 ARG A 31 3.236 -8.042 -16.096 1.00 52.30 N ATOM 0 H ARG A 31 -0.664 -13.024 -13.634 1.00 35.33 H new ATOM 0 HA ARG A 31 -1.436 -13.600 -16.431 1.00 55.45 H new ATOM 0 HB2 ARG A 31 1.200 -12.458 -16.251 1.00 40.13 H new ATOM 0 HB3 ARG A 31 -0.181 -11.892 -17.169 1.00 40.13 H new ATOM 0 HG2 ARG A 31 -0.213 -10.085 -15.840 1.00 3.44 H new ATOM 0 HG3 ARG A 31 -0.783 -11.124 -14.548 1.00 3.44 H new ATOM 0 HD2 ARG A 31 1.127 -10.766 -13.415 1.00 74.53 H new ATOM 0 HD3 ARG A 31 2.036 -11.522 -14.708 1.00 74.53 H new ATOM 0 HE ARG A 31 1.713 -8.638 -14.220 1.00 4.31 H new ATOM 0 HH11 ARG A 31 2.643 -11.182 -16.484 1.00 12.21 H new ATOM 0 HH12 ARG A 31 3.648 -10.107 -17.461 1.00 12.21 H new ATOM 0 HH21 ARG A 31 3.007 -7.262 -15.480 1.00 52.30 H new ATOM 0 HH22 ARG A 31 3.854 -7.897 -16.895 1.00 52.30 H new ATOM 455 N GLY A 32 0.795 -15.039 -16.717 1.00 52.33 N ATOM 456 CA GLY A 32 1.675 -16.193 -16.722 1.00 53.22 C ATOM 457 C GLY A 32 2.874 -16.011 -15.814 1.00 5.12 C ATOM 458 O GLY A 32 3.553 -16.978 -15.470 1.00 10.31 O ATOM 0 H GLY A 32 0.643 -14.613 -17.631 1.00 52.33 H new ATOM 0 HA2 GLY A 32 1.116 -17.074 -16.408 1.00 53.22 H new ATOM 0 HA3 GLY A 32 2.019 -16.380 -17.739 1.00 53.22 H new ATOM 462 N ASN A 33 3.138 -14.767 -15.425 1.00 73.45 N ATOM 463 CA ASN A 33 4.266 -14.462 -14.553 1.00 52.31 C ATOM 464 C ASN A 33 4.208 -15.296 -13.277 1.00 43.10 C ATOM 465 O ASN A 33 5.186 -15.383 -12.535 1.00 71.24 O ATOM 466 CB ASN A 33 4.277 -12.972 -14.202 1.00 70.52 C ATOM 467 CG ASN A 33 3.715 -12.700 -12.820 1.00 42.13 C ATOM 468 OD1 ASN A 33 2.549 -12.333 -12.673 1.00 61.43 O ATOM 469 ND2 ASN A 33 4.545 -12.878 -11.799 1.00 12.12 N ATOM 0 H ASN A 33 2.586 -13.955 -15.700 1.00 73.45 H new ATOM 0 HA ASN A 33 5.184 -14.710 -15.086 1.00 52.31 H new ATOM 0 HB2 ASN A 33 5.299 -12.596 -14.256 1.00 70.52 H new ATOM 0 HB3 ASN A 33 3.696 -12.423 -14.942 1.00 70.52 H new ATOM 0 HD21 ASN A 33 4.224 -12.710 -10.846 1.00 12.12 H new ATOM 0 HD22 ASN A 33 5.503 -13.183 -11.968 1.00 12.12 H new ATOM 476 N GLY A 34 3.055 -15.908 -13.028 1.00 74.41 N ATOM 477 CA GLY A 34 2.891 -16.728 -11.842 1.00 33.02 C ATOM 478 C GLY A 34 2.397 -15.931 -10.650 1.00 70.44 C ATOM 479 O GLY A 34 2.742 -16.232 -9.508 1.00 23.35 O ATOM 0 H GLY A 34 2.231 -15.851 -13.627 1.00 74.41 H new ATOM 0 HA2 GLY A 34 2.187 -17.532 -12.055 1.00 33.02 H new ATOM 0 HA3 GLY A 34 3.843 -17.196 -11.593 1.00 33.02 H new ATOM 483 N TYR A 35 1.588 -14.912 -10.917 1.00 4.22 N ATOM 484 CA TYR A 35 1.050 -14.067 -9.858 1.00 13.42 C ATOM 485 C TYR A 35 0.254 -12.903 -10.441 1.00 72.11 C ATOM 486 O TYR A 35 0.355 -12.600 -11.630 1.00 63.03 O ATOM 487 CB TYR A 35 2.181 -13.534 -8.976 1.00 72.24 C ATOM 488 CG TYR A 35 1.778 -12.353 -8.123 1.00 23.14 C ATOM 489 CD1 TYR A 35 1.159 -12.538 -6.893 1.00 75.30 C ATOM 490 CD2 TYR A 35 2.019 -11.051 -8.545 1.00 70.43 C ATOM 491 CE1 TYR A 35 0.788 -11.462 -6.110 1.00 65.02 C ATOM 492 CE2 TYR A 35 1.654 -9.969 -7.768 1.00 73.04 C ATOM 493 CZ TYR A 35 1.038 -10.179 -6.552 1.00 63.50 C ATOM 494 OH TYR A 35 0.673 -9.105 -5.774 1.00 54.45 O ATOM 0 H TYR A 35 1.291 -14.651 -11.857 1.00 4.22 H new ATOM 0 HA TYR A 35 0.380 -14.674 -9.250 1.00 13.42 H new ATOM 0 HB2 TYR A 35 2.534 -14.336 -8.328 1.00 72.24 H new ATOM 0 HB3 TYR A 35 3.019 -13.245 -9.610 1.00 72.24 H new ATOM 0 HD1 TYR A 35 0.964 -13.541 -6.543 1.00 75.30 H new ATOM 0 HD2 TYR A 35 2.500 -10.882 -9.497 1.00 70.43 H new ATOM 0 HE1 TYR A 35 0.305 -11.624 -5.158 1.00 65.02 H new ATOM 0 HE2 TYR A 35 1.850 -8.964 -8.111 1.00 73.04 H new ATOM 0 HH TYR A 35 -0.274 -9.181 -5.535 1.00 54.45 H new ATOM 504 N CYS A 36 -0.539 -12.254 -9.595 1.00 4.22 N ATOM 505 CA CYS A 36 -1.353 -11.123 -10.023 1.00 60.14 C ATOM 506 C CYS A 36 -0.483 -9.902 -10.306 1.00 5.01 C ATOM 507 O CYS A 36 -0.431 -8.965 -9.510 1.00 33.30 O ATOM 508 CB CYS A 36 -2.395 -10.784 -8.956 1.00 21.35 C ATOM 509 SG CYS A 36 -3.352 -9.274 -9.303 1.00 41.32 S ATOM 0 H CYS A 36 -0.635 -12.492 -8.608 1.00 4.22 H new ATOM 0 HA CYS A 36 -1.864 -11.404 -10.944 1.00 60.14 H new ATOM 0 HB2 CYS A 36 -3.084 -11.623 -8.857 1.00 21.35 H new ATOM 0 HB3 CYS A 36 -1.892 -10.670 -7.996 1.00 21.35 H new ATOM 0 HG CYS A 36 -3.867 -8.823 -8.198 1.00 41.32 H new ATOM 514 N GLY A 37 0.201 -9.920 -11.446 1.00 71.24 N ATOM 515 CA GLY A 37 1.060 -8.810 -11.814 1.00 52.33 C ATOM 516 C GLY A 37 0.317 -7.729 -12.574 1.00 73.14 C ATOM 517 O GLY A 37 -0.536 -8.024 -13.412 1.00 22.43 O ATOM 0 H GLY A 37 0.175 -10.684 -12.121 1.00 71.24 H new ATOM 0 HA2 GLY A 37 1.499 -8.380 -10.914 1.00 52.33 H new ATOM 0 HA3 GLY A 37 1.883 -9.179 -12.425 1.00 52.33 H new TER 521 GLY A 37