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 168:sc= -22.6! USER MOD Set 1.2: A 36 CYS SG : rot -177:sc= -22.3! USER MOD Set 2.1: A 9 THR OG1 : rot -65:sc= 1.27 USER MOD Set 2.2: A 35 TYR OH : rot 111:sc= 0.199 USER MOD Single : A 6 ASN : amide:sc= -0.691 X(o=-0.69,f=-0.41) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -5.94 K(o=-5.9,f=-11!) USER MOD ----------------------------------------------------------------- HETATM 1 C 4LT A 1 -2.470 1.208 -2.113 1.00 20.31 C HETATM 2 O 4LT A 1 -1.618 1.918 -2.645 1.00 23.22 O HETATM 3 CA 4LT A 1 -3.681 1.901 -1.538 1.00 42.15 C HETATM 4 CB 4LT A 1 -3.572 1.942 -0.020 1.00 24.11 C HETATM 5 F 4LT A 1 -3.749 3.201 -2.033 1.00 72.22 F ATOM 10 N GLY A 2 -2.361 -0.115 -2.030 1.00 44.05 N ATOM 11 CA GLY A 2 -1.203 -0.799 -2.577 1.00 73.10 C ATOM 12 C GLY A 2 -1.343 -1.080 -4.060 1.00 44.21 C ATOM 13 O GLY A 2 -0.488 -0.690 -4.856 1.00 61.24 O ATOM 0 H GLY A 2 -3.053 -0.725 -1.594 1.00 44.05 H new ATOM 0 HA2 GLY A 2 -0.313 -0.193 -2.408 1.00 73.10 H new ATOM 0 HA3 GLY A 2 -1.055 -1.739 -2.045 1.00 73.10 H new ATOM 17 N CYS A 3 -2.422 -1.759 -4.433 1.00 61.23 N ATOM 18 CA CYS A 3 -2.670 -2.094 -5.830 1.00 70.32 C ATOM 19 C CYS A 3 -3.899 -1.358 -6.356 1.00 71.41 C ATOM 20 O CYS A 3 -4.693 -1.918 -7.113 1.00 50.42 O ATOM 21 CB CYS A 3 -2.860 -3.604 -5.988 1.00 63.23 C ATOM 22 SG CYS A 3 -1.820 -4.353 -7.284 1.00 14.51 S ATOM 0 H CYS A 3 -3.139 -2.088 -3.787 1.00 61.23 H new ATOM 0 HA CYS A 3 -1.804 -1.780 -6.412 1.00 70.32 H new ATOM 0 HB2 CYS A 3 -2.641 -4.088 -5.036 1.00 63.23 H new ATOM 0 HB3 CYS A 3 -3.907 -3.806 -6.215 1.00 63.23 H new ATOM 27 N ILE A 4 -4.048 -0.102 -5.950 1.00 34.33 N ATOM 28 CA ILE A 4 -5.179 0.710 -6.381 1.00 11.32 C ATOM 29 C ILE A 4 -6.497 -0.029 -6.177 1.00 20.40 C ATOM 30 O ILE A 4 -6.977 -0.723 -7.074 1.00 74.41 O ATOM 31 CB ILE A 4 -5.052 1.111 -7.862 1.00 71.14 C ATOM 32 CG1 ILE A 4 -3.753 1.885 -8.095 1.00 24.55 C ATOM 33 CG2 ILE A 4 -6.253 1.941 -8.291 1.00 62.25 C ATOM 34 CD1 ILE A 4 -2.787 1.180 -9.022 1.00 32.23 C ATOM 0 H ILE A 4 -3.400 0.375 -5.323 1.00 34.33 H new ATOM 0 HA ILE A 4 -5.172 1.611 -5.767 1.00 11.32 H new ATOM 0 HB ILE A 4 -5.026 0.205 -8.467 1.00 71.14 H new ATOM 0 HG12 ILE A 4 -3.992 2.864 -8.510 1.00 24.55 H new ATOM 0 HG13 ILE A 4 -3.264 2.056 -7.136 1.00 24.55 H new ATOM 0 HG21 ILE A 4 -6.149 2.217 -9.340 1.00 62.25 H new ATOM 0 HG22 ILE A 4 -7.164 1.358 -8.158 1.00 62.25 H new ATOM 0 HG23 ILE A 4 -6.308 2.844 -7.682 1.00 62.25 H new ATOM 0 HD11 ILE A 4 -1.889 1.786 -9.141 1.00 32.23 H new ATOM 0 HD12 ILE A 4 -2.518 0.212 -8.599 1.00 32.23 H new ATOM 0 HD13 ILE A 4 -3.257 1.033 -9.994 1.00 32.23 H new ATOM 46 N LEU A 5 -7.078 0.125 -4.993 1.00 33.35 N ATOM 47 CA LEU A 5 -8.343 -0.527 -4.670 1.00 71.14 C ATOM 48 C LEU A 5 -8.217 -2.043 -4.777 1.00 61.42 C ATOM 49 O LEU A 5 -8.472 -2.625 -5.831 1.00 51.50 O ATOM 50 CB LEU A 5 -9.448 -0.029 -5.603 1.00 53.12 C ATOM 51 CG LEU A 5 -10.873 -0.092 -5.050 1.00 65.33 C ATOM 52 CD1 LEU A 5 -11.695 1.081 -5.559 1.00 53.20 C ATOM 53 CD2 LEU A 5 -11.532 -1.411 -5.426 1.00 32.22 C ATOM 0 H LEU A 5 -6.694 0.696 -4.240 1.00 33.35 H new ATOM 0 HA LEU A 5 -8.602 -0.274 -3.642 1.00 71.14 H new ATOM 0 HB2 LEU A 5 -9.230 1.004 -5.873 1.00 53.12 H new ATOM 0 HB3 LEU A 5 -9.410 -0.613 -6.522 1.00 53.12 H new ATOM 0 HG LEU A 5 -10.824 -0.030 -3.963 1.00 65.33 H new ATOM 0 HD11 LEU A 5 -12.706 1.019 -5.155 1.00 53.20 H new ATOM 0 HD12 LEU A 5 -11.233 2.015 -5.239 1.00 53.20 H new ATOM 0 HD13 LEU A 5 -11.737 1.051 -6.648 1.00 53.20 H new ATOM 0 HD21 LEU A 5 -12.545 -1.439 -5.025 1.00 32.22 H new ATOM 0 HD22 LEU A 5 -11.569 -1.503 -6.511 1.00 32.22 H new ATOM 0 HD23 LEU A 5 -10.955 -2.237 -5.012 1.00 32.22 H new ATOM 65 N ASN A 6 -7.823 -2.678 -3.678 1.00 34.22 N ATOM 66 CA ASN A 6 -7.665 -4.128 -3.647 1.00 52.34 C ATOM 67 C ASN A 6 -7.311 -4.607 -2.243 1.00 14.02 C ATOM 68 O ASN A 6 -6.927 -3.815 -1.384 1.00 14.34 O ATOM 69 CB ASN A 6 -6.581 -4.564 -4.635 1.00 75.14 C ATOM 70 CG ASN A 6 -5.383 -5.184 -3.943 1.00 11.44 C ATOM 71 OD1 ASN A 6 -5.209 -6.402 -3.951 1.00 23.22 O ATOM 72 ND2 ASN A 6 -4.550 -4.344 -3.338 1.00 72.22 N ATOM 0 H ASN A 6 -7.607 -2.212 -2.797 1.00 34.22 H new ATOM 0 HA ASN A 6 -8.614 -4.578 -3.936 1.00 52.34 H new ATOM 0 HB2 ASN A 6 -7.002 -5.282 -5.339 1.00 75.14 H new ATOM 0 HB3 ASN A 6 -6.255 -3.702 -5.216 1.00 75.14 H new ATOM 0 HD21 ASN A 6 -3.726 -4.702 -2.854 1.00 72.22 H new ATOM 0 HD22 ASN A 6 -4.734 -3.341 -3.357 1.00 72.22 H new ATOM 79 N GLY A 7 -7.443 -5.911 -2.017 1.00 53.33 N ATOM 80 CA GLY A 7 -7.133 -6.474 -0.716 1.00 53.41 C ATOM 81 C GLY A 7 -5.656 -6.391 -0.385 1.00 53.45 C ATOM 82 O GLY A 7 -5.039 -5.335 -0.531 1.00 72.43 O ATOM 0 H GLY A 7 -7.759 -6.587 -2.712 1.00 53.33 H new ATOM 0 HA2 GLY A 7 -7.704 -5.948 0.049 1.00 53.41 H new ATOM 0 HA3 GLY A 7 -7.450 -7.517 -0.690 1.00 53.41 H new ATOM 86 N ARG A 8 -5.088 -7.505 0.063 1.00 73.45 N ATOM 87 CA ARG A 8 -3.675 -7.553 0.418 1.00 71.43 C ATOM 88 C ARG A 8 -2.855 -8.190 -0.701 1.00 2.44 C ATOM 89 O ARG A 8 -2.698 -9.410 -0.754 1.00 72.01 O ATOM 90 CB ARG A 8 -3.480 -8.337 1.717 1.00 73.10 C ATOM 91 CG ARG A 8 -3.053 -7.472 2.892 1.00 64.45 C ATOM 92 CD ARG A 8 -4.204 -6.622 3.405 1.00 4.32 C ATOM 93 NE ARG A 8 -4.381 -5.406 2.615 1.00 72.40 N ATOM 94 CZ ARG A 8 -3.575 -4.354 2.695 1.00 51.42 C ATOM 95 NH1 ARG A 8 -2.541 -4.367 3.525 1.00 73.42 N ATOM 96 NH2 ARG A 8 -3.802 -3.284 1.943 1.00 72.12 N ATOM 0 H ARG A 8 -5.585 -8.387 0.189 1.00 73.45 H new ATOM 0 HA ARG A 8 -3.327 -6.530 0.563 1.00 71.43 H new ATOM 0 HB2 ARG A 8 -4.412 -8.843 1.969 1.00 73.10 H new ATOM 0 HB3 ARG A 8 -2.730 -9.111 1.555 1.00 73.10 H new ATOM 0 HG2 ARG A 8 -2.681 -8.107 3.696 1.00 64.45 H new ATOM 0 HG3 ARG A 8 -2.229 -6.826 2.589 1.00 64.45 H new ATOM 0 HD2 ARG A 8 -5.124 -7.206 3.382 1.00 4.32 H new ATOM 0 HD3 ARG A 8 -4.021 -6.355 4.446 1.00 4.32 H new ATOM 0 HE ARG A 8 -5.167 -5.363 1.966 1.00 72.40 H new ATOM 0 HH11 ARG A 8 -2.363 -5.187 4.105 1.00 73.42 H new ATOM 0 HH12 ARG A 8 -1.924 -3.557 3.584 1.00 73.42 H new ATOM 0 HH21 ARG A 8 -4.596 -3.270 1.303 1.00 72.12 H new ATOM 0 HH22 ARG A 8 -3.182 -2.476 2.005 1.00 72.12 H new ATOM 110 N THR A 9 -2.333 -7.354 -1.594 1.00 22.44 N ATOM 111 CA THR A 9 -1.530 -7.834 -2.711 1.00 74.44 C ATOM 112 C THR A 9 -0.452 -8.802 -2.238 1.00 70.55 C ATOM 113 O THR A 9 0.164 -8.597 -1.193 1.00 22.44 O ATOM 114 CB THR A 9 -0.863 -6.669 -3.465 1.00 41.33 C ATOM 115 OG1 THR A 9 -0.189 -7.160 -4.629 1.00 52.14 O ATOM 116 CG2 THR A 9 0.128 -5.941 -2.569 1.00 32.21 C ATOM 0 H THR A 9 -2.452 -6.341 -1.565 1.00 22.44 H new ATOM 0 HA THR A 9 -2.209 -8.353 -3.387 1.00 74.44 H new ATOM 0 HB THR A 9 -1.641 -5.967 -3.765 1.00 41.33 H new ATOM 0 HG1 THR A 9 0.554 -7.739 -4.357 1.00 52.14 H new ATOM 0 HG21 THR A 9 0.586 -5.122 -3.124 1.00 32.21 H new ATOM 0 HG22 THR A 9 -0.393 -5.543 -1.698 1.00 32.21 H new ATOM 0 HG23 THR A 9 0.902 -6.636 -2.242 1.00 32.21 H new ATOM 124 N ASP A 10 -0.228 -9.857 -3.015 1.00 15.11 N ATOM 125 CA ASP A 10 0.778 -10.857 -2.676 1.00 13.51 C ATOM 126 C ASP A 10 0.788 -11.130 -1.175 1.00 73.32 C ATOM 127 O ASP A 10 1.636 -10.616 -0.445 1.00 61.21 O ATOM 128 CB ASP A 10 2.162 -10.393 -3.131 1.00 41.54 C ATOM 129 CG ASP A 10 2.387 -8.914 -2.885 1.00 2.30 C ATOM 130 OD1 ASP A 10 2.772 -8.553 -1.753 1.00 73.11 O ATOM 131 OD2 ASP A 10 2.178 -8.117 -3.824 1.00 10.23 O ATOM 0 H ASP A 10 -0.730 -10.041 -3.884 1.00 15.11 H new ATOM 0 HA ASP A 10 0.525 -11.782 -3.194 1.00 13.51 H new ATOM 0 HB2 ASP A 10 2.925 -10.966 -2.605 1.00 41.54 H new ATOM 0 HB3 ASP A 10 2.281 -10.604 -4.194 1.00 41.54 H new ATOM 136 N LEU A 11 -0.161 -11.942 -0.721 1.00 1.21 N ATOM 137 CA LEU A 11 -0.262 -12.284 0.694 1.00 55.43 C ATOM 138 C LEU A 11 -0.381 -13.793 0.882 1.00 0.52 C ATOM 139 O LEU A 11 0.605 -14.473 1.163 1.00 11.44 O ATOM 140 CB LEU A 11 -1.468 -11.583 1.322 1.00 34.34 C ATOM 141 CG LEU A 11 -1.835 -12.022 2.741 1.00 41.32 C ATOM 142 CD1 LEU A 11 -1.671 -10.866 3.716 1.00 64.32 C ATOM 143 CD2 LEU A 11 -3.258 -12.558 2.782 1.00 32.50 C ATOM 0 H LEU A 11 -0.871 -12.375 -1.312 1.00 1.21 H new ATOM 0 HA LEU A 11 0.647 -11.946 1.191 1.00 55.43 H new ATOM 0 HB2 LEU A 11 -1.274 -10.510 1.333 1.00 34.34 H new ATOM 0 HB3 LEU A 11 -2.333 -11.744 0.678 1.00 34.34 H new ATOM 0 HG LEU A 11 -1.158 -12.822 3.040 1.00 41.32 H new ATOM 0 HD11 LEU A 11 -1.936 -11.197 4.720 1.00 64.32 H new ATOM 0 HD12 LEU A 11 -0.635 -10.527 3.707 1.00 64.32 H new ATOM 0 HD13 LEU A 11 -2.324 -10.045 3.420 1.00 64.32 H new ATOM 0 HD21 LEU A 11 -3.502 -12.866 3.799 1.00 32.50 H new ATOM 0 HD22 LEU A 11 -3.950 -11.778 2.463 1.00 32.50 H new ATOM 0 HD23 LEU A 11 -3.344 -13.415 2.114 1.00 32.50 H new ATOM 155 N GLY A 12 -1.595 -14.310 0.723 1.00 33.31 N ATOM 156 CA GLY A 12 -1.820 -15.736 0.877 1.00 11.35 C ATOM 157 C GLY A 12 -1.601 -16.500 -0.413 1.00 33.20 C ATOM 158 O GLY A 12 -0.557 -16.370 -1.052 1.00 44.21 O ATOM 0 H GLY A 12 -2.427 -13.767 0.490 1.00 33.31 H new ATOM 0 HA2 GLY A 12 -1.151 -16.125 1.644 1.00 11.35 H new ATOM 0 HA3 GLY A 12 -2.839 -15.904 1.227 1.00 11.35 H new ATOM 162 N THR A 13 -2.589 -17.303 -0.798 1.00 44.03 N ATOM 163 CA THR A 13 -2.498 -18.094 -2.019 1.00 53.11 C ATOM 164 C THR A 13 -2.221 -17.208 -3.228 1.00 64.55 C ATOM 165 O THR A 13 -1.546 -17.623 -4.172 1.00 40.32 O ATOM 166 CB THR A 13 -3.792 -18.893 -2.268 1.00 3.51 C ATOM 167 OG1 THR A 13 -4.191 -19.564 -1.068 1.00 73.21 O ATOM 168 CG2 THR A 13 -3.594 -19.909 -3.382 1.00 51.14 C ATOM 0 H THR A 13 -3.461 -17.422 -0.282 1.00 44.03 H new ATOM 0 HA THR A 13 -1.670 -18.790 -1.884 1.00 53.11 H new ATOM 0 HB THR A 13 -4.573 -18.195 -2.570 1.00 3.51 H new ATOM 0 HG1 THR A 13 -5.015 -20.068 -1.234 1.00 73.21 H new ATOM 0 HG21 THR A 13 -4.521 -20.461 -3.540 1.00 51.14 H new ATOM 0 HG22 THR A 13 -3.318 -19.392 -4.301 1.00 51.14 H new ATOM 0 HG23 THR A 13 -2.801 -20.603 -3.104 1.00 51.14 H new ATOM 176 N LEU A 14 -2.744 -15.988 -3.195 1.00 4.13 N ATOM 177 CA LEU A 14 -2.551 -15.042 -4.289 1.00 31.41 C ATOM 178 C LEU A 14 -1.088 -14.626 -4.398 1.00 23.14 C ATOM 179 O LEU A 14 -0.666 -14.059 -5.406 1.00 42.33 O ATOM 180 CB LEU A 14 -3.430 -13.808 -4.083 1.00 14.21 C ATOM 181 CG LEU A 14 -3.298 -12.706 -5.135 1.00 24.11 C ATOM 182 CD1 LEU A 14 -2.127 -11.792 -4.806 1.00 72.41 C ATOM 183 CD2 LEU A 14 -3.132 -13.310 -6.522 1.00 22.12 C ATOM 0 H LEU A 14 -3.305 -15.630 -2.422 1.00 4.13 H new ATOM 0 HA LEU A 14 -2.839 -15.535 -5.218 1.00 31.41 H new ATOM 0 HB2 LEU A 14 -4.471 -14.129 -4.051 1.00 14.21 H new ATOM 0 HB3 LEU A 14 -3.199 -13.381 -3.107 1.00 14.21 H new ATOM 0 HG LEU A 14 -4.211 -12.111 -5.127 1.00 24.11 H new ATOM 0 HD11 LEU A 14 -2.048 -11.014 -5.565 1.00 72.41 H new ATOM 0 HD12 LEU A 14 -2.287 -11.332 -3.831 1.00 72.41 H new ATOM 0 HD13 LEU A 14 -1.206 -12.374 -4.786 1.00 72.41 H new ATOM 0 HD21 LEU A 14 -3.040 -12.511 -7.258 1.00 22.12 H new ATOM 0 HD22 LEU A 14 -2.235 -13.929 -6.544 1.00 22.12 H new ATOM 0 HD23 LEU A 14 -4.002 -13.922 -6.759 1.00 22.12 H new ATOM 195 N LEU A 15 -0.317 -14.913 -3.354 1.00 74.12 N ATOM 196 CA LEU A 15 1.101 -14.571 -3.333 1.00 14.22 C ATOM 197 C LEU A 15 1.772 -14.950 -4.649 1.00 2.12 C ATOM 198 O LEU A 15 2.743 -14.319 -5.067 1.00 1.42 O ATOM 199 CB LEU A 15 1.798 -15.277 -2.169 1.00 4.21 C ATOM 200 CG LEU A 15 3.296 -15.004 -2.019 1.00 75.31 C ATOM 201 CD1 LEU A 15 3.529 -13.697 -1.278 1.00 54.10 C ATOM 202 CD2 LEU A 15 3.978 -16.157 -1.298 1.00 31.43 C ATOM 0 H LEU A 15 -0.650 -15.382 -2.511 1.00 74.12 H new ATOM 0 HA LEU A 15 1.188 -13.493 -3.200 1.00 14.22 H new ATOM 0 HB2 LEU A 15 1.301 -14.986 -1.244 1.00 4.21 H new ATOM 0 HB3 LEU A 15 1.654 -16.351 -2.283 1.00 4.21 H new ATOM 0 HG LEU A 15 3.731 -14.916 -3.014 1.00 75.31 H new ATOM 0 HD11 LEU A 15 4.600 -13.520 -1.181 1.00 54.10 H new ATOM 0 HD12 LEU A 15 3.074 -12.877 -1.834 1.00 54.10 H new ATOM 0 HD13 LEU A 15 3.080 -13.756 -0.287 1.00 54.10 H new ATOM 0 HD21 LEU A 15 5.043 -15.946 -1.200 1.00 31.43 H new ATOM 0 HD22 LEU A 15 3.539 -16.277 -0.307 1.00 31.43 H new ATOM 0 HD23 LEU A 15 3.841 -17.075 -1.869 1.00 31.43 H new ATOM 214 N PHE A 16 1.248 -15.984 -5.299 1.00 15.54 N ATOM 215 CA PHE A 16 1.795 -16.446 -6.568 1.00 64.23 C ATOM 216 C PHE A 16 0.831 -17.406 -7.259 1.00 25.50 C ATOM 217 O PHE A 16 -0.251 -17.691 -6.747 1.00 31.44 O ATOM 218 CB PHE A 16 3.145 -17.132 -6.346 1.00 32.50 C ATOM 219 CG PHE A 16 4.311 -16.187 -6.383 1.00 24.22 C ATOM 220 CD1 PHE A 16 4.628 -15.502 -7.545 1.00 24.12 C ATOM 221 CD2 PHE A 16 5.091 -15.983 -5.256 1.00 33.15 C ATOM 222 CE1 PHE A 16 5.702 -14.632 -7.581 1.00 72.35 C ATOM 223 CE2 PHE A 16 6.165 -15.114 -5.286 1.00 62.21 C ATOM 224 CZ PHE A 16 6.470 -14.437 -6.451 1.00 24.15 C ATOM 0 H PHE A 16 0.445 -16.518 -4.967 1.00 15.54 H new ATOM 0 HA PHE A 16 1.938 -15.578 -7.211 1.00 64.23 H new ATOM 0 HB2 PHE A 16 3.131 -17.641 -5.382 1.00 32.50 H new ATOM 0 HB3 PHE A 16 3.284 -17.898 -7.109 1.00 32.50 H new ATOM 0 HD1 PHE A 16 4.030 -15.649 -8.432 1.00 24.12 H new ATOM 0 HD2 PHE A 16 4.857 -16.510 -4.343 1.00 33.15 H new ATOM 0 HE1 PHE A 16 5.940 -14.105 -8.493 1.00 72.35 H new ATOM 0 HE2 PHE A 16 6.765 -14.964 -4.400 1.00 62.21 H new ATOM 0 HZ PHE A 16 7.308 -13.756 -6.477 1.00 24.15 H new ATOM 234 N ARG A 17 1.233 -17.901 -8.425 1.00 71.33 N ATOM 235 CA ARG A 17 0.405 -18.828 -9.188 1.00 12.13 C ATOM 236 C ARG A 17 -1.033 -18.324 -9.278 1.00 63.31 C ATOM 237 O ARG A 17 -1.971 -19.112 -9.403 1.00 12.32 O ATOM 238 CB ARG A 17 0.431 -20.216 -8.545 1.00 52.10 C ATOM 239 CG ARG A 17 -0.248 -21.288 -9.382 1.00 43.44 C ATOM 240 CD ARG A 17 -1.313 -22.025 -8.586 1.00 61.23 C ATOM 241 NE ARG A 17 -0.764 -23.174 -7.871 1.00 72.44 N ATOM 242 CZ ARG A 17 -1.502 -24.015 -7.155 1.00 73.44 C ATOM 243 NH1 ARG A 17 -2.813 -23.837 -7.060 1.00 45.50 N ATOM 244 NH2 ARG A 17 -0.930 -25.038 -6.533 1.00 62.14 N ATOM 0 H ARG A 17 2.127 -17.676 -8.862 1.00 71.33 H new ATOM 0 HA ARG A 17 0.813 -18.895 -10.197 1.00 12.13 H new ATOM 0 HB2 ARG A 17 1.467 -20.506 -8.369 1.00 52.10 H new ATOM 0 HB3 ARG A 17 -0.056 -20.165 -7.571 1.00 52.10 H new ATOM 0 HG2 ARG A 17 -0.701 -20.831 -10.262 1.00 43.44 H new ATOM 0 HG3 ARG A 17 0.497 -21.998 -9.739 1.00 43.44 H new ATOM 0 HD2 ARG A 17 -1.772 -21.340 -7.873 1.00 61.23 H new ATOM 0 HD3 ARG A 17 -2.102 -22.360 -9.259 1.00 61.23 H new ATOM 0 HE ARG A 17 0.241 -23.340 -7.924 1.00 72.44 H new ATOM 0 HH11 ARG A 17 -3.257 -23.053 -7.537 1.00 45.50 H new ATOM 0 HH12 ARG A 17 -3.377 -24.484 -6.509 1.00 45.50 H new ATOM 0 HH21 ARG A 17 0.078 -25.179 -6.604 1.00 62.14 H new ATOM 0 HH22 ARG A 17 -1.498 -25.683 -5.984 1.00 62.14 H new ATOM 258 N CYS A 18 -1.198 -17.007 -9.214 1.00 21.33 N ATOM 259 CA CYS A 18 -2.520 -16.397 -9.287 1.00 71.51 C ATOM 260 C CYS A 18 -3.538 -17.375 -9.867 1.00 54.35 C ATOM 261 O CYS A 18 -3.405 -17.823 -11.006 1.00 41.44 O ATOM 262 CB CYS A 18 -2.472 -15.128 -10.139 1.00 54.41 C ATOM 263 SG CYS A 18 -1.778 -15.375 -11.805 1.00 23.52 S ATOM 0 H CYS A 18 -0.432 -16.341 -9.112 1.00 21.33 H new ATOM 0 HA CYS A 18 -2.829 -16.135 -8.275 1.00 71.51 H new ATOM 0 HB2 CYS A 18 -3.482 -14.729 -10.234 1.00 54.41 H new ATOM 0 HB3 CYS A 18 -1.879 -14.376 -9.618 1.00 54.41 H new ATOM 268 N ARG A 19 -4.555 -17.700 -9.076 1.00 73.32 N ATOM 269 CA ARG A 19 -5.596 -18.625 -9.510 1.00 43.45 C ATOM 270 C ARG A 19 -6.479 -17.986 -10.579 1.00 23.32 C ATOM 271 O ARG A 19 -7.192 -18.680 -11.304 1.00 41.33 O ATOM 272 CB ARG A 19 -6.451 -19.059 -8.319 1.00 55.01 C ATOM 273 CG ARG A 19 -5.647 -19.333 -7.059 1.00 0.41 C ATOM 274 CD ARG A 19 -5.459 -18.070 -6.233 1.00 13.14 C ATOM 275 NE ARG A 19 -6.088 -18.177 -4.919 1.00 21.13 N ATOM 276 CZ ARG A 19 -7.351 -17.843 -4.679 1.00 21.02 C ATOM 277 NH1 ARG A 19 -8.116 -17.383 -5.659 1.00 72.31 N ATOM 278 NH2 ARG A 19 -7.851 -17.969 -3.456 1.00 51.02 N ATOM 0 H ARG A 19 -4.681 -17.337 -8.131 1.00 73.32 H new ATOM 0 HA ARG A 19 -5.112 -19.502 -9.939 1.00 43.45 H new ATOM 0 HB2 ARG A 19 -7.186 -18.283 -8.109 1.00 55.01 H new ATOM 0 HB3 ARG A 19 -7.005 -19.958 -8.589 1.00 55.01 H new ATOM 0 HG2 ARG A 19 -6.154 -20.089 -6.460 1.00 0.41 H new ATOM 0 HG3 ARG A 19 -4.673 -19.741 -7.329 1.00 0.41 H new ATOM 0 HD2 ARG A 19 -4.394 -17.872 -6.110 1.00 13.14 H new ATOM 0 HD3 ARG A 19 -5.881 -17.220 -6.769 1.00 13.14 H new ATOM 0 HE ARG A 19 -5.526 -18.528 -4.143 1.00 21.13 H new ATOM 0 HH11 ARG A 19 -7.735 -17.285 -6.600 1.00 72.31 H new ATOM 0 HH12 ARG A 19 -9.086 -17.127 -5.472 1.00 72.31 H new ATOM 0 HH21 ARG A 19 -7.265 -18.323 -2.699 1.00 51.02 H new ATOM 0 HH22 ARG A 19 -8.821 -17.712 -3.273 1.00 51.02 H new ATOM 292 N ARG A 20 -6.426 -16.661 -10.669 1.00 23.41 N ATOM 293 CA ARG A 20 -7.222 -15.930 -11.647 1.00 4.31 C ATOM 294 C ARG A 20 -7.292 -14.448 -11.291 1.00 40.51 C ATOM 295 O ARG A 20 -7.139 -14.070 -10.129 1.00 42.24 O ATOM 296 CB ARG A 20 -8.633 -16.514 -11.727 1.00 13.43 C ATOM 297 CG ARG A 20 -9.560 -15.743 -12.654 1.00 25.25 C ATOM 298 CD ARG A 20 -10.559 -16.665 -13.335 1.00 24.10 C ATOM 299 NE ARG A 20 -11.702 -16.964 -12.476 1.00 44.14 N ATOM 300 CZ ARG A 20 -12.709 -16.122 -12.274 1.00 41.33 C ATOM 301 NH1 ARG A 20 -12.715 -14.935 -12.866 1.00 65.54 N ATOM 302 NH2 ARG A 20 -13.714 -16.466 -11.479 1.00 4.12 N ATOM 0 H ARG A 20 -5.840 -16.072 -10.077 1.00 23.41 H new ATOM 0 HA ARG A 20 -6.740 -16.030 -12.619 1.00 4.31 H new ATOM 0 HB2 ARG A 20 -8.570 -17.548 -12.067 1.00 13.43 H new ATOM 0 HB3 ARG A 20 -9.066 -16.533 -10.727 1.00 13.43 H new ATOM 0 HG2 ARG A 20 -10.094 -14.982 -12.085 1.00 25.25 H new ATOM 0 HG3 ARG A 20 -8.971 -15.222 -13.409 1.00 25.25 H new ATOM 0 HD2 ARG A 20 -10.910 -16.201 -14.257 1.00 24.10 H new ATOM 0 HD3 ARG A 20 -10.063 -17.594 -13.614 1.00 24.10 H new ATOM 0 HE ARG A 20 -11.728 -17.869 -12.006 1.00 44.14 H new ATOM 0 HH11 ARG A 20 -11.945 -14.667 -13.478 1.00 65.54 H new ATOM 0 HH12 ARG A 20 -13.490 -14.291 -12.709 1.00 65.54 H new ATOM 0 HH21 ARG A 20 -13.714 -17.378 -11.022 1.00 4.12 H new ATOM 0 HH22 ARG A 20 -14.487 -15.818 -11.325 1.00 4.12 H new ATOM 316 N ASP A 21 -7.524 -13.613 -12.298 1.00 61.24 N ATOM 317 CA ASP A 21 -7.615 -12.172 -12.092 1.00 72.43 C ATOM 318 C ASP A 21 -8.502 -11.850 -10.893 1.00 43.05 C ATOM 319 O ASP A 21 -8.394 -10.777 -10.300 1.00 52.11 O ATOM 320 CB ASP A 21 -8.164 -11.490 -13.346 1.00 41.03 C ATOM 321 CG ASP A 21 -8.691 -10.097 -13.064 1.00 11.13 C ATOM 322 OD1 ASP A 21 -7.868 -9.183 -12.847 1.00 24.20 O ATOM 323 OD2 ASP A 21 -9.927 -9.920 -13.060 1.00 71.22 O ATOM 0 H ASP A 21 -7.653 -13.909 -13.266 1.00 61.24 H new ATOM 0 HA ASP A 21 -6.612 -11.794 -11.892 1.00 72.43 H new ATOM 0 HB2 ASP A 21 -7.377 -11.432 -14.098 1.00 41.03 H new ATOM 0 HB3 ASP A 21 -8.964 -12.099 -13.767 1.00 41.03 H new ATOM 328 N SER A 22 -9.378 -12.786 -10.543 1.00 53.14 N ATOM 329 CA SER A 22 -10.287 -12.599 -9.418 1.00 72.55 C ATOM 330 C SER A 22 -9.514 -12.279 -8.143 1.00 31.12 C ATOM 331 O SER A 22 -9.991 -11.536 -7.285 1.00 42.41 O ATOM 332 CB SER A 22 -11.139 -13.853 -9.211 1.00 33.02 C ATOM 333 OG SER A 22 -12.276 -13.570 -8.414 1.00 35.41 O ATOM 0 H SER A 22 -9.478 -13.681 -11.022 1.00 53.14 H new ATOM 0 HA SER A 22 -10.941 -11.757 -9.646 1.00 72.55 H new ATOM 0 HB2 SER A 22 -11.457 -14.245 -10.177 1.00 33.02 H new ATOM 0 HB3 SER A 22 -10.540 -14.629 -8.734 1.00 33.02 H new ATOM 0 HG SER A 22 -12.805 -14.387 -8.297 1.00 35.41 H new ATOM 339 N ASP A 23 -8.318 -12.846 -8.025 1.00 54.23 N ATOM 340 CA ASP A 23 -7.477 -12.621 -6.855 1.00 52.15 C ATOM 341 C ASP A 23 -6.812 -11.250 -6.920 1.00 41.42 C ATOM 342 O ASP A 23 -6.042 -10.879 -6.033 1.00 54.43 O ATOM 343 CB ASP A 23 -6.412 -13.714 -6.749 1.00 15.43 C ATOM 344 CG ASP A 23 -5.652 -13.910 -8.045 1.00 40.44 C ATOM 345 OD1 ASP A 23 -5.356 -12.900 -8.719 1.00 11.03 O ATOM 346 OD2 ASP A 23 -5.352 -15.073 -8.387 1.00 2.43 O ATOM 0 H ASP A 23 -7.909 -13.465 -8.725 1.00 54.23 H new ATOM 0 HA ASP A 23 -8.111 -12.655 -5.969 1.00 52.15 H new ATOM 0 HB2 ASP A 23 -5.710 -13.458 -5.955 1.00 15.43 H new ATOM 0 HB3 ASP A 23 -6.887 -14.653 -6.464 1.00 15.43 H new ATOM 351 N CYS A 24 -7.112 -10.501 -7.976 1.00 74.12 N ATOM 352 CA CYS A 24 -6.543 -9.171 -8.159 1.00 30.54 C ATOM 353 C CYS A 24 -7.642 -8.132 -8.358 1.00 10.21 C ATOM 354 O CYS A 24 -7.895 -7.665 -9.469 1.00 11.44 O ATOM 355 CB CYS A 24 -5.592 -9.161 -9.357 1.00 53.03 C ATOM 356 SG CYS A 24 -3.831 -9.043 -8.908 1.00 62.02 S ATOM 0 H CYS A 24 -7.747 -10.793 -8.719 1.00 74.12 H new ATOM 0 HA CYS A 24 -5.985 -8.915 -7.259 1.00 30.54 H new ATOM 0 HB2 CYS A 24 -5.748 -10.070 -9.938 1.00 53.03 H new ATOM 0 HB3 CYS A 24 -5.848 -8.322 -10.003 1.00 53.03 H new ATOM 0 HG CYS A 24 -3.099 -9.302 -9.951 1.00 62.02 H new ATOM 361 N PRO A 25 -8.311 -7.760 -7.257 1.00 13.23 N ATOM 362 CA PRO A 25 -9.393 -6.771 -7.284 1.00 73.20 C ATOM 363 C PRO A 25 -8.884 -5.362 -7.569 1.00 72.43 C ATOM 364 O PRO A 25 -9.668 -4.425 -7.707 1.00 54.43 O ATOM 365 CB PRO A 25 -9.983 -6.851 -5.874 1.00 22.34 C ATOM 366 CG PRO A 25 -8.867 -7.354 -5.025 1.00 4.14 C ATOM 367 CD PRO A 25 -8.063 -8.275 -5.900 1.00 20.41 C ATOM 0 HA PRO A 25 -10.114 -6.978 -8.075 1.00 73.20 H new ATOM 0 HB2 PRO A 25 -10.330 -5.875 -5.534 1.00 22.34 H new ATOM 0 HB3 PRO A 25 -10.840 -7.524 -5.841 1.00 22.34 H new ATOM 0 HG2 PRO A 25 -8.254 -6.531 -4.658 1.00 4.14 H new ATOM 0 HG3 PRO A 25 -9.249 -7.881 -4.151 1.00 4.14 H new ATOM 0 HD2 PRO A 25 -7.003 -8.246 -5.647 1.00 20.41 H new ATOM 0 HD3 PRO A 25 -8.387 -9.311 -5.798 1.00 20.41 H new ATOM 375 N GLY A 26 -7.565 -5.221 -7.657 1.00 20.01 N ATOM 376 CA GLY A 26 -6.974 -3.923 -7.926 1.00 33.02 C ATOM 377 C GLY A 26 -6.359 -3.841 -9.308 1.00 65.45 C ATOM 378 O GLY A 26 -6.616 -4.691 -10.161 1.00 2.11 O ATOM 0 H GLY A 26 -6.895 -5.982 -7.547 1.00 20.01 H new ATOM 0 HA2 GLY A 26 -7.738 -3.152 -7.825 1.00 33.02 H new ATOM 0 HA3 GLY A 26 -6.209 -3.714 -7.178 1.00 33.02 H new ATOM 382 N ALA A 27 -5.544 -2.815 -9.532 1.00 71.42 N ATOM 383 CA ALA A 27 -4.890 -2.626 -10.821 1.00 21.20 C ATOM 384 C ALA A 27 -4.252 -3.923 -11.308 1.00 44.42 C ATOM 385 O ALA A 27 -4.578 -4.421 -12.386 1.00 15.13 O ATOM 386 CB ALA A 27 -3.845 -1.524 -10.726 1.00 21.42 C ATOM 0 H ALA A 27 -5.321 -2.102 -8.837 1.00 71.42 H new ATOM 0 HA ALA A 27 -5.648 -2.330 -11.546 1.00 21.20 H new ATOM 0 HB1 ALA A 27 -3.365 -1.394 -11.696 1.00 21.42 H new ATOM 0 HB2 ALA A 27 -4.326 -0.591 -10.431 1.00 21.42 H new ATOM 0 HB3 ALA A 27 -3.095 -1.797 -9.983 1.00 21.42 H new ATOM 392 N CYS A 28 -3.339 -4.464 -10.508 1.00 70.35 N ATOM 393 CA CYS A 28 -2.653 -5.702 -10.858 1.00 74.42 C ATOM 394 C CYS A 28 -3.647 -6.759 -11.334 1.00 3.32 C ATOM 395 O CYS A 28 -4.849 -6.648 -11.092 1.00 51.14 O ATOM 396 CB CYS A 28 -1.866 -6.231 -9.657 1.00 53.23 C ATOM 397 SG CYS A 28 -2.756 -6.108 -8.073 1.00 14.04 S ATOM 0 H CYS A 28 -3.057 -4.064 -9.613 1.00 70.35 H new ATOM 0 HA CYS A 28 -1.960 -5.487 -11.672 1.00 74.42 H new ATOM 0 HB2 CYS A 28 -1.608 -7.275 -9.836 1.00 53.23 H new ATOM 0 HB3 CYS A 28 -0.929 -5.680 -9.579 1.00 53.23 H new ATOM 402 N ILE A 29 -3.135 -7.782 -12.010 1.00 53.31 N ATOM 403 CA ILE A 29 -3.977 -8.858 -12.518 1.00 63.01 C ATOM 404 C ILE A 29 -3.181 -10.149 -12.678 1.00 70.02 C ATOM 405 O ILE A 29 -1.954 -10.126 -12.782 1.00 32.45 O ATOM 406 CB ILE A 29 -4.609 -8.487 -13.872 1.00 52.24 C ATOM 407 CG1 ILE A 29 -3.538 -7.974 -14.837 1.00 2.32 C ATOM 408 CG2 ILE A 29 -5.700 -7.443 -13.680 1.00 25.54 C ATOM 409 CD1 ILE A 29 -4.082 -7.588 -16.195 1.00 2.15 C ATOM 0 H ILE A 29 -2.142 -7.888 -12.218 1.00 53.31 H new ATOM 0 HA ILE A 29 -4.770 -9.011 -11.786 1.00 63.01 H new ATOM 0 HB ILE A 29 -5.060 -9.381 -14.302 1.00 52.24 H new ATOM 0 HG12 ILE A 29 -3.045 -7.109 -14.393 1.00 2.32 H new ATOM 0 HG13 ILE A 29 -2.777 -8.744 -14.965 1.00 2.32 H new ATOM 0 HG21 ILE A 29 -6.137 -7.191 -14.646 1.00 25.54 H new ATOM 0 HG22 ILE A 29 -6.474 -7.842 -13.025 1.00 25.54 H new ATOM 0 HG23 ILE A 29 -5.271 -6.547 -13.231 1.00 25.54 H new ATOM 0 HD11 ILE A 29 -3.267 -7.234 -16.826 1.00 2.15 H new ATOM 0 HD12 ILE A 29 -4.550 -8.456 -16.660 1.00 2.15 H new ATOM 0 HD13 ILE A 29 -4.822 -6.796 -16.079 1.00 2.15 H new ATOM 421 N CYS A 30 -3.888 -11.274 -12.700 1.00 24.24 N ATOM 422 CA CYS A 30 -3.249 -12.576 -12.849 1.00 22.13 C ATOM 423 C CYS A 30 -2.799 -12.799 -14.290 1.00 22.54 C ATOM 424 O CYS A 30 -3.623 -12.917 -15.197 1.00 24.21 O ATOM 425 CB CYS A 30 -4.208 -13.690 -12.424 1.00 0.20 C ATOM 426 SG CYS A 30 -3.701 -15.354 -12.965 1.00 12.03 S ATOM 0 H CYS A 30 -4.904 -11.310 -12.617 1.00 24.24 H new ATOM 0 HA CYS A 30 -2.370 -12.598 -12.205 1.00 22.13 H new ATOM 0 HB2 CYS A 30 -4.296 -13.684 -11.338 1.00 0.20 H new ATOM 0 HB3 CYS A 30 -5.198 -13.475 -12.825 1.00 0.20 H new ATOM 431 N ARG A 31 -1.486 -12.857 -14.492 1.00 15.23 N ATOM 432 CA ARG A 31 -0.927 -13.065 -15.822 1.00 24.04 C ATOM 433 C ARG A 31 -0.038 -14.305 -15.849 1.00 43.03 C ATOM 434 O ARG A 31 0.187 -14.944 -14.822 1.00 13.51 O ATOM 435 CB ARG A 31 -0.123 -11.839 -16.258 1.00 1.54 C ATOM 436 CG ARG A 31 -0.137 -10.708 -15.241 1.00 70.43 C ATOM 437 CD ARG A 31 1.183 -10.617 -14.492 1.00 10.32 C ATOM 438 NE ARG A 31 1.874 -9.356 -14.752 1.00 34.51 N ATOM 439 CZ ARG A 31 2.704 -9.171 -15.772 1.00 5.45 C ATOM 440 NH1 ARG A 31 2.946 -10.158 -16.623 1.00 22.15 N ATOM 441 NH2 ARG A 31 3.295 -7.995 -15.942 1.00 1.42 N ATOM 0 H ARG A 31 -0.791 -12.763 -13.752 1.00 15.23 H new ATOM 0 HA ARG A 31 -1.753 -13.215 -16.517 1.00 24.04 H new ATOM 0 HB2 ARG A 31 0.909 -12.138 -16.442 1.00 1.54 H new ATOM 0 HB3 ARG A 31 -0.521 -11.471 -17.204 1.00 1.54 H new ATOM 0 HG2 ARG A 31 -0.335 -9.764 -15.748 1.00 70.43 H new ATOM 0 HG3 ARG A 31 -0.949 -10.865 -14.531 1.00 70.43 H new ATOM 0 HD2 ARG A 31 1.000 -10.716 -13.422 1.00 10.32 H new ATOM 0 HD3 ARG A 31 1.824 -11.449 -14.785 1.00 10.32 H new ATOM 0 HE ARG A 31 1.710 -8.576 -14.116 1.00 34.51 H new ATOM 0 HH11 ARG A 31 2.494 -11.064 -16.496 1.00 22.15 H new ATOM 0 HH12 ARG A 31 3.584 -10.012 -17.405 1.00 22.15 H new ATOM 0 HH21 ARG A 31 3.112 -7.233 -15.289 1.00 1.42 H new ATOM 0 HH22 ARG A 31 3.932 -7.853 -16.725 1.00 1.42 H new ATOM 455 N GLY A 32 0.465 -14.640 -17.034 1.00 24.14 N ATOM 456 CA GLY A 32 1.323 -15.802 -17.173 1.00 61.42 C ATOM 457 C GLY A 32 2.547 -15.731 -16.281 1.00 53.54 C ATOM 458 O GLY A 32 3.205 -16.741 -16.038 1.00 3.53 O ATOM 0 H GLY A 32 0.294 -14.128 -17.899 1.00 24.14 H new ATOM 0 HA2 GLY A 32 0.754 -16.700 -16.933 1.00 61.42 H new ATOM 0 HA3 GLY A 32 1.640 -15.893 -18.212 1.00 61.42 H new ATOM 462 N ASN A 33 2.853 -14.532 -15.794 1.00 75.34 N ATOM 463 CA ASN A 33 4.007 -14.332 -14.926 1.00 61.12 C ATOM 464 C ASN A 33 3.945 -15.259 -13.716 1.00 71.10 C ATOM 465 O ASN A 33 4.930 -15.427 -12.998 1.00 52.02 O ATOM 466 CB ASN A 33 4.077 -12.875 -14.464 1.00 21.33 C ATOM 467 CG ASN A 33 3.589 -12.697 -13.039 1.00 51.21 C ATOM 468 OD1 ASN A 33 2.437 -12.329 -12.807 1.00 61.04 O ATOM 469 ND2 ASN A 33 4.466 -12.957 -12.076 1.00 73.24 N ATOM 0 H ASN A 33 2.318 -13.685 -15.986 1.00 75.34 H new ATOM 0 HA ASN A 33 4.905 -14.569 -15.497 1.00 61.12 H new ATOM 0 HB2 ASN A 33 5.105 -12.521 -14.540 1.00 21.33 H new ATOM 0 HB3 ASN A 33 3.477 -12.256 -15.131 1.00 21.33 H new ATOM 0 HD21 ASN A 33 4.195 -12.854 -11.098 1.00 73.24 H new ATOM 0 HD22 ASN A 33 5.410 -13.260 -12.314 1.00 73.24 H new ATOM 476 N GLY A 34 2.779 -15.860 -13.496 1.00 40.44 N ATOM 477 CA GLY A 34 2.610 -16.763 -12.373 1.00 54.51 C ATOM 478 C GLY A 34 2.199 -16.040 -11.105 1.00 70.13 C ATOM 479 O GLY A 34 2.571 -16.445 -10.004 1.00 3.44 O ATOM 0 H GLY A 34 1.949 -15.737 -14.076 1.00 40.44 H new ATOM 0 HA2 GLY A 34 1.857 -17.511 -12.622 1.00 54.51 H new ATOM 0 HA3 GLY A 34 3.543 -17.297 -12.197 1.00 54.51 H new ATOM 483 N TYR A 35 1.431 -14.967 -11.260 1.00 61.41 N ATOM 484 CA TYR A 35 0.973 -14.184 -10.119 1.00 20.23 C ATOM 485 C TYR A 35 0.185 -12.961 -10.578 1.00 73.51 C ATOM 486 O TYR A 35 0.239 -12.576 -11.746 1.00 53.13 O ATOM 487 CB TYR A 35 2.163 -13.746 -9.264 1.00 2.23 C ATOM 488 CG TYR A 35 1.842 -12.614 -8.314 1.00 43.21 C ATOM 489 CD1 TYR A 35 1.275 -12.863 -7.071 1.00 32.33 C ATOM 490 CD2 TYR A 35 2.108 -11.294 -8.660 1.00 74.42 C ATOM 491 CE1 TYR A 35 0.979 -11.832 -6.201 1.00 3.15 C ATOM 492 CE2 TYR A 35 1.817 -10.257 -7.796 1.00 13.23 C ATOM 493 CZ TYR A 35 1.252 -10.531 -6.567 1.00 43.44 C ATOM 494 OH TYR A 35 0.961 -9.501 -5.703 1.00 13.43 O ATOM 0 H TYR A 35 1.113 -14.620 -12.165 1.00 61.41 H new ATOM 0 HA TYR A 35 0.315 -14.813 -9.520 1.00 20.23 H new ATOM 0 HB2 TYR A 35 2.521 -14.600 -8.690 1.00 2.23 H new ATOM 0 HB3 TYR A 35 2.977 -13.439 -9.920 1.00 2.23 H new ATOM 0 HD1 TYR A 35 1.062 -13.881 -6.780 1.00 32.33 H new ATOM 0 HD2 TYR A 35 2.550 -11.076 -9.621 1.00 74.42 H new ATOM 0 HE1 TYR A 35 0.536 -12.044 -5.239 1.00 3.15 H new ATOM 0 HE2 TYR A 35 2.030 -9.237 -8.080 1.00 13.23 H new ATOM 0 HH TYR A 35 1.795 -9.109 -5.368 1.00 13.43 H new ATOM 504 N CYS A 36 -0.548 -12.355 -9.650 1.00 5.12 N ATOM 505 CA CYS A 36 -1.348 -11.176 -9.956 1.00 41.45 C ATOM 506 C CYS A 36 -0.456 -9.963 -10.206 1.00 50.22 C ATOM 507 O CYS A 36 -0.350 -9.073 -9.364 1.00 13.43 O ATOM 508 CB CYS A 36 -2.319 -10.881 -8.812 1.00 13.13 C ATOM 509 SG CYS A 36 -3.264 -9.337 -9.017 1.00 74.23 S ATOM 0 H CYS A 36 -0.604 -12.662 -8.679 1.00 5.12 H new ATOM 0 HA CYS A 36 -1.917 -11.380 -10.863 1.00 41.45 H new ATOM 0 HB2 CYS A 36 -3.018 -11.712 -8.720 1.00 13.13 H new ATOM 0 HB3 CYS A 36 -1.759 -10.830 -7.878 1.00 13.13 H new ATOM 0 HG CYS A 36 -4.009 -9.142 -7.970 1.00 74.23 H new ATOM 514 N GLY A 37 0.184 -9.936 -11.371 1.00 41.44 N ATOM 515 CA GLY A 37 1.058 -8.828 -11.712 1.00 23.41 C ATOM 516 C GLY A 37 0.326 -7.711 -12.428 1.00 64.05 C ATOM 517 O GLY A 37 -0.554 -7.964 -13.251 1.00 65.12 O ATOM 0 H GLY A 37 0.113 -10.661 -12.085 1.00 41.44 H new ATOM 0 HA2 GLY A 37 1.513 -8.435 -10.803 1.00 23.41 H new ATOM 0 HA3 GLY A 37 1.869 -9.190 -12.344 1.00 23.41 H new TER 521 GLY A 37