USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 472 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 56 ASN : amide:sc= 0.504 K(o=1.1,f=-2.8) USER MOD Set 1.2: A 60 LYS NZ :NH3+ -111:sc= 0.592 (180deg=-0.421) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.92 K(o=-2.9,f=-7.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0559 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -165:sc= -0.0749 (180deg=-0.364) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -167:sc= -0.0414 (180deg=-0.251) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0592 K(o=-0.059,f=-0.63) USER MOD Single : A 43 LYS NZ :NH3+ -152:sc= -0.0366 (180deg=-0.437) USER MOD Single : A 44 SER OG : rot 84:sc= 0.0171 USER MOD Single : A 50 ASN : amide:sc= -3.45 K(o=-3.5,f=-11!) USER MOD Single : A 55 GLN : amide:sc= -0.35 X(o=-0.35,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -3.789 -9.876 -5.979 1.00 11.41 N ATOM 29 CA GLU A 3 -4.280 -8.971 -4.944 1.00 74.41 C ATOM 30 C GLU A 3 -4.162 -9.609 -3.564 1.00 10.40 C ATOM 31 O GLU A 3 -4.058 -8.913 -2.553 1.00 70.54 O ATOM 32 CB GLU A 3 -5.735 -8.590 -5.220 1.00 61.45 C ATOM 33 CG GLU A 3 -6.019 -8.286 -6.682 1.00 12.20 C ATOM 34 CD GLU A 3 -4.937 -7.441 -7.323 1.00 34.22 C ATOM 35 OE1 GLU A 3 -4.332 -6.611 -6.612 1.00 42.33 O ATOM 36 OE2 GLU A 3 -4.693 -7.608 -8.536 1.00 34.53 O ATOM 0 HA GLU A 3 -3.666 -8.070 -4.962 1.00 74.41 H new ATOM 0 HB2 GLU A 3 -6.383 -9.404 -4.895 1.00 61.45 H new ATOM 0 HB3 GLU A 3 -5.993 -7.718 -4.620 1.00 61.45 H new ATOM 0 HG2 GLU A 3 -6.117 -9.222 -7.231 1.00 12.20 H new ATOM 0 HG3 GLU A 3 -6.975 -7.768 -6.762 1.00 12.20 H new ATOM 43 N ALA A 4 -4.179 -10.937 -3.528 1.00 12.24 N ATOM 44 CA ALA A 4 -4.073 -11.669 -2.272 1.00 1.44 C ATOM 45 C ALA A 4 -2.810 -11.276 -1.513 1.00 2.54 C ATOM 46 O ALA A 4 -2.721 -11.459 -0.298 1.00 40.11 O ATOM 47 CB ALA A 4 -4.089 -13.169 -2.532 1.00 44.32 C ATOM 0 H ALA A 4 -4.265 -11.528 -4.355 1.00 12.24 H new ATOM 0 HA ALA A 4 -4.933 -11.409 -1.655 1.00 1.44 H new ATOM 0 HB1 ALA A 4 -4.009 -13.703 -1.585 1.00 44.32 H new ATOM 0 HB2 ALA A 4 -5.021 -13.443 -3.026 1.00 44.32 H new ATOM 0 HB3 ALA A 4 -3.248 -13.436 -3.172 1.00 44.32 H new ATOM 53 N LEU A 5 -1.835 -10.736 -2.235 1.00 4.34 N ATOM 54 CA LEU A 5 -0.575 -10.317 -1.629 1.00 64.13 C ATOM 55 C LEU A 5 -0.796 -9.157 -0.663 1.00 24.21 C ATOM 56 O LEU A 5 -0.151 -9.075 0.383 1.00 21.21 O ATOM 57 CB LEU A 5 0.425 -9.911 -2.713 1.00 52.52 C ATOM 58 CG LEU A 5 0.382 -10.728 -4.004 1.00 35.44 C ATOM 59 CD1 LEU A 5 1.517 -10.318 -4.932 1.00 52.14 C ATOM 60 CD2 LEU A 5 0.454 -12.216 -3.697 1.00 13.10 C ATOM 0 H LEU A 5 -1.892 -10.578 -3.241 1.00 4.34 H new ATOM 0 HA LEU A 5 -0.171 -11.160 -1.069 1.00 64.13 H new ATOM 0 HB2 LEU A 5 0.254 -8.864 -2.963 1.00 52.52 H new ATOM 0 HB3 LEU A 5 1.430 -9.979 -2.296 1.00 52.52 H new ATOM 0 HG LEU A 5 -0.564 -10.527 -4.507 1.00 35.44 H new ATOM 0 HD11 LEU A 5 1.471 -10.910 -5.846 1.00 52.14 H new ATOM 0 HD12 LEU A 5 1.421 -9.261 -5.179 1.00 52.14 H new ATOM 0 HD13 LEU A 5 2.472 -10.490 -4.436 1.00 52.14 H new ATOM 0 HD21 LEU A 5 0.422 -12.782 -4.628 1.00 13.10 H new ATOM 0 HD22 LEU A 5 1.384 -12.435 -3.171 1.00 13.10 H new ATOM 0 HD23 LEU A 5 -0.392 -12.500 -3.071 1.00 13.10 H new ATOM 72 N PHE A 6 -1.711 -8.262 -1.020 1.00 71.53 N ATOM 73 CA PHE A 6 -2.017 -7.107 -0.185 1.00 64.51 C ATOM 74 C PHE A 6 -2.626 -7.542 1.145 1.00 33.03 C ATOM 75 O PHE A 6 -2.214 -7.083 2.210 1.00 54.24 O ATOM 76 CB PHE A 6 -2.977 -6.164 -0.914 1.00 24.14 C ATOM 77 CG PHE A 6 -3.742 -5.258 0.007 1.00 3.42 C ATOM 78 CD1 PHE A 6 -4.894 -5.702 0.637 1.00 0.52 C ATOM 79 CD2 PHE A 6 -3.310 -3.963 0.245 1.00 51.40 C ATOM 80 CE1 PHE A 6 -5.602 -4.870 1.485 1.00 33.15 C ATOM 81 CE2 PHE A 6 -4.012 -3.127 1.092 1.00 41.23 C ATOM 82 CZ PHE A 6 -5.159 -3.582 1.715 1.00 74.43 C ATOM 0 H PHE A 6 -2.253 -8.315 -1.882 1.00 71.53 H new ATOM 0 HA PHE A 6 -1.085 -6.580 0.018 1.00 64.51 H new ATOM 0 HB2 PHE A 6 -2.411 -5.557 -1.620 1.00 24.14 H new ATOM 0 HB3 PHE A 6 -3.683 -6.756 -1.497 1.00 24.14 H new ATOM 0 HD1 PHE A 6 -5.243 -6.709 0.464 1.00 0.52 H new ATOM 0 HD2 PHE A 6 -2.413 -3.603 -0.238 1.00 51.40 H new ATOM 0 HE1 PHE A 6 -6.500 -5.227 1.967 1.00 33.15 H new ATOM 0 HE2 PHE A 6 -3.665 -2.119 1.267 1.00 41.23 H new ATOM 0 HZ PHE A 6 -5.708 -2.932 2.380 1.00 74.43 H new ATOM 92 N LYS A 7 -3.611 -8.432 1.074 1.00 30.35 N ATOM 93 CA LYS A 7 -4.277 -8.932 2.270 1.00 55.22 C ATOM 94 C LYS A 7 -3.396 -9.937 3.005 1.00 71.15 C ATOM 95 O LYS A 7 -3.512 -10.107 4.218 1.00 55.13 O ATOM 96 CB LYS A 7 -5.612 -9.584 1.900 1.00 31.30 C ATOM 97 CG LYS A 7 -5.797 -10.970 2.493 1.00 3.50 C ATOM 98 CD LYS A 7 -7.125 -11.582 2.077 1.00 31.31 C ATOM 99 CE LYS A 7 -8.253 -11.147 2.999 1.00 43.33 C ATOM 100 NZ LYS A 7 -8.711 -12.258 3.877 1.00 43.44 N ATOM 0 H LYS A 7 -3.965 -8.821 0.200 1.00 30.35 H new ATOM 0 HA LYS A 7 -4.463 -8.086 2.932 1.00 55.22 H new ATOM 0 HB2 LYS A 7 -6.426 -8.942 2.237 1.00 31.30 H new ATOM 0 HB3 LYS A 7 -5.686 -9.650 0.815 1.00 31.30 H new ATOM 0 HG2 LYS A 7 -4.981 -11.616 2.171 1.00 3.50 H new ATOM 0 HG3 LYS A 7 -5.747 -10.911 3.580 1.00 3.50 H new ATOM 0 HD2 LYS A 7 -7.357 -11.289 1.053 1.00 31.31 H new ATOM 0 HD3 LYS A 7 -7.045 -12.669 2.087 1.00 31.31 H new ATOM 0 HE2 LYS A 7 -7.917 -10.312 3.615 1.00 43.33 H new ATOM 0 HE3 LYS A 7 -9.091 -10.786 2.403 1.00 43.33 H new ATOM 0 HZ1 LYS A 7 -9.480 -11.921 4.490 1.00 43.44 H new ATOM 0 HZ2 LYS A 7 -9.055 -13.045 3.290 1.00 43.44 H new ATOM 0 HZ3 LYS A 7 -7.918 -12.585 4.465 1.00 43.44 H new ATOM 114 N GLU A 8 -2.514 -10.598 2.261 1.00 12.23 N ATOM 115 CA GLU A 8 -1.613 -11.585 2.844 1.00 13.40 C ATOM 116 C GLU A 8 -0.602 -10.918 3.772 1.00 33.42 C ATOM 117 O GLU A 8 -0.390 -11.363 4.900 1.00 20.21 O ATOM 118 CB GLU A 8 -0.882 -12.355 1.742 1.00 30.04 C ATOM 119 CG GLU A 8 0.113 -13.375 2.269 1.00 14.24 C ATOM 120 CD GLU A 8 1.024 -13.917 1.185 1.00 72.20 C ATOM 121 OE1 GLU A 8 1.715 -13.107 0.531 1.00 11.34 O ATOM 122 OE2 GLU A 8 1.045 -15.149 0.988 1.00 55.32 O ATOM 0 H GLU A 8 -2.405 -10.468 1.255 1.00 12.23 H new ATOM 0 HA GLU A 8 -2.210 -12.284 3.429 1.00 13.40 H new ATOM 0 HB2 GLU A 8 -1.616 -12.865 1.119 1.00 30.04 H new ATOM 0 HB3 GLU A 8 -0.358 -11.646 1.102 1.00 30.04 H new ATOM 0 HG2 GLU A 8 0.718 -12.916 3.051 1.00 14.24 H new ATOM 0 HG3 GLU A 8 -0.429 -14.201 2.729 1.00 14.24 H new ATOM 129 N ILE A 9 0.021 -9.849 3.286 1.00 42.31 N ATOM 130 CA ILE A 9 1.010 -9.120 4.071 1.00 5.14 C ATOM 131 C ILE A 9 0.357 -8.401 5.247 1.00 23.31 C ATOM 132 O ILE A 9 1.011 -8.103 6.246 1.00 13.02 O ATOM 133 CB ILE A 9 1.765 -8.091 3.209 1.00 23.00 C ATOM 134 CG1 ILE A 9 2.493 -8.791 2.061 1.00 34.25 C ATOM 135 CG2 ILE A 9 2.746 -7.303 4.064 1.00 61.14 C ATOM 136 CD1 ILE A 9 3.629 -9.679 2.518 1.00 33.54 C ATOM 0 H ILE A 9 -0.141 -9.469 2.353 1.00 42.31 H new ATOM 0 HA ILE A 9 1.720 -9.857 4.448 1.00 5.14 H new ATOM 0 HB ILE A 9 1.042 -7.394 2.784 1.00 23.00 H new ATOM 0 HG12 ILE A 9 1.777 -9.391 1.500 1.00 34.25 H new ATOM 0 HG13 ILE A 9 2.884 -8.038 1.377 1.00 34.25 H new ATOM 0 HG21 ILE A 9 3.272 -6.580 3.441 1.00 61.14 H new ATOM 0 HG22 ILE A 9 2.203 -6.778 4.850 1.00 61.14 H new ATOM 0 HG23 ILE A 9 3.466 -7.986 4.514 1.00 61.14 H new ATOM 0 HD11 ILE A 9 4.100 -10.143 1.651 1.00 33.54 H new ATOM 0 HD12 ILE A 9 4.366 -9.081 3.054 1.00 33.54 H new ATOM 0 HD13 ILE A 9 3.241 -10.454 3.179 1.00 33.54 H new ATOM 148 N ASP A 10 -0.937 -8.127 5.121 1.00 23.43 N ATOM 149 CA ASP A 10 -1.679 -7.444 6.174 1.00 11.31 C ATOM 150 C ASP A 10 -1.986 -8.396 7.326 1.00 51.45 C ATOM 151 O ASP A 10 -3.106 -8.895 7.452 1.00 2.04 O ATOM 152 CB ASP A 10 -2.979 -6.863 5.616 1.00 42.43 C ATOM 153 CG ASP A 10 -2.873 -5.379 5.329 1.00 45.13 C ATOM 154 OD1 ASP A 10 -2.161 -4.679 6.079 1.00 34.44 O ATOM 155 OD2 ASP A 10 -3.503 -4.916 4.356 1.00 61.44 O ATOM 0 H ASP A 10 -1.493 -8.367 4.301 1.00 23.43 H new ATOM 0 HA ASP A 10 -1.060 -6.631 6.553 1.00 11.31 H new ATOM 0 HB2 ASP A 10 -3.245 -7.389 4.699 1.00 42.43 H new ATOM 0 HB3 ASP A 10 -3.786 -7.036 6.328 1.00 42.43 H new ATOM 160 N VAL A 11 -0.985 -8.647 8.164 1.00 64.11 N ATOM 161 CA VAL A 11 -1.148 -9.539 9.305 1.00 3.13 C ATOM 162 C VAL A 11 -2.190 -9.000 10.280 1.00 15.14 C ATOM 163 O VAL A 11 -2.685 -9.729 11.139 1.00 63.23 O ATOM 164 CB VAL A 11 0.183 -9.742 10.054 1.00 40.03 C ATOM 165 CG1 VAL A 11 0.044 -10.832 11.105 1.00 21.12 C ATOM 166 CG2 VAL A 11 1.300 -10.073 9.074 1.00 45.34 C ATOM 0 H VAL A 11 -0.052 -8.245 8.074 1.00 64.11 H new ATOM 0 HA VAL A 11 -1.485 -10.498 8.911 1.00 3.13 H new ATOM 0 HB VAL A 11 0.440 -8.812 10.562 1.00 40.03 H new ATOM 0 HG11 VAL A 11 0.994 -10.961 11.623 1.00 21.12 H new ATOM 0 HG12 VAL A 11 -0.726 -10.549 11.823 1.00 21.12 H new ATOM 0 HG13 VAL A 11 -0.236 -11.769 10.623 1.00 21.12 H new ATOM 0 HG21 VAL A 11 2.233 -10.213 9.620 1.00 45.34 H new ATOM 0 HG22 VAL A 11 1.053 -10.988 8.536 1.00 45.34 H new ATOM 0 HG23 VAL A 11 1.415 -9.255 8.363 1.00 45.34 H new ATOM 176 N ASN A 12 -2.517 -7.720 10.139 1.00 25.12 N ATOM 177 CA ASN A 12 -3.499 -7.083 11.008 1.00 42.34 C ATOM 178 C ASN A 12 -4.918 -7.368 10.525 1.00 13.50 C ATOM 179 O ASN A 12 -5.894 -6.955 11.151 1.00 23.32 O ATOM 180 CB ASN A 12 -3.262 -5.572 11.061 1.00 24.11 C ATOM 181 CG ASN A 12 -2.972 -4.984 9.693 1.00 33.23 C ATOM 182 OD1 ASN A 12 -3.430 -5.501 8.674 1.00 15.23 O ATOM 183 ND2 ASN A 12 -2.208 -3.899 9.665 1.00 24.12 N ATOM 0 H ASN A 12 -2.117 -7.104 9.432 1.00 25.12 H new ATOM 0 HA ASN A 12 -3.383 -7.498 12.009 1.00 42.34 H new ATOM 0 HB2 ASN A 12 -4.140 -5.084 11.485 1.00 24.11 H new ATOM 0 HB3 ASN A 12 -2.427 -5.361 11.729 1.00 24.11 H new ATOM 0 HD21 ASN A 12 -1.979 -3.460 8.774 1.00 24.12 H new ATOM 0 HD22 ASN A 12 -1.850 -3.505 10.535 1.00 24.12 H new ATOM 190 N GLY A 13 -5.025 -8.081 9.408 1.00 3.20 N ATOM 191 CA GLY A 13 -6.327 -8.411 8.860 1.00 43.12 C ATOM 192 C GLY A 13 -7.266 -7.221 8.839 1.00 41.31 C ATOM 193 O GLY A 13 -8.456 -7.356 9.123 1.00 43.32 O ATOM 0 H GLY A 13 -4.233 -8.436 8.873 1.00 3.20 H new ATOM 0 HA2 GLY A 13 -6.205 -8.792 7.846 1.00 43.12 H new ATOM 0 HA3 GLY A 13 -6.773 -9.212 9.449 1.00 43.12 H new ATOM 197 N ASP A 14 -6.730 -6.053 8.505 1.00 73.33 N ATOM 198 CA ASP A 14 -7.528 -4.833 8.448 1.00 11.34 C ATOM 199 C ASP A 14 -8.009 -4.564 7.026 1.00 4.40 C ATOM 200 O ASP A 14 -8.936 -3.785 6.811 1.00 64.54 O ATOM 201 CB ASP A 14 -6.715 -3.643 8.959 1.00 63.42 C ATOM 202 CG ASP A 14 -5.370 -3.522 8.269 1.00 42.42 C ATOM 203 OD1 ASP A 14 -5.165 -4.207 7.246 1.00 12.43 O ATOM 204 OD2 ASP A 14 -4.524 -2.742 8.753 1.00 24.53 O ATOM 0 H ASP A 14 -5.746 -5.924 8.269 1.00 73.33 H new ATOM 0 HA ASP A 14 -8.400 -4.968 9.087 1.00 11.34 H new ATOM 0 HB2 ASP A 14 -7.283 -2.726 8.805 1.00 63.42 H new ATOM 0 HB3 ASP A 14 -6.561 -3.746 10.033 1.00 63.42 H new ATOM 209 N GLY A 15 -7.372 -5.215 6.058 1.00 63.35 N ATOM 210 CA GLY A 15 -7.749 -5.031 4.668 1.00 23.24 C ATOM 211 C GLY A 15 -7.431 -3.638 4.160 1.00 35.24 C ATOM 212 O GLY A 15 -7.849 -3.259 3.067 1.00 62.31 O ATOM 0 H GLY A 15 -6.602 -5.866 6.211 1.00 63.35 H new ATOM 0 HA2 GLY A 15 -7.229 -5.766 4.053 1.00 23.24 H new ATOM 0 HA3 GLY A 15 -8.817 -5.220 4.556 1.00 23.24 H new ATOM 216 N ALA A 16 -6.689 -2.875 4.957 1.00 70.12 N ATOM 217 CA ALA A 16 -6.314 -1.517 4.581 1.00 41.35 C ATOM 218 C ALA A 16 -4.838 -1.259 4.859 1.00 22.44 C ATOM 219 O ALA A 16 -4.308 -1.673 5.890 1.00 31.41 O ATOM 220 CB ALA A 16 -7.178 -0.508 5.323 1.00 44.30 C ATOM 0 H ALA A 16 -6.336 -3.174 5.866 1.00 70.12 H new ATOM 0 HA ALA A 16 -6.480 -1.403 3.510 1.00 41.35 H new ATOM 0 HB1 ALA A 16 -6.888 0.502 5.033 1.00 44.30 H new ATOM 0 HB2 ALA A 16 -8.226 -0.671 5.071 1.00 44.30 H new ATOM 0 HB3 ALA A 16 -7.040 -0.631 6.397 1.00 44.30 H new ATOM 226 N VAL A 17 -4.178 -0.570 3.932 1.00 53.20 N ATOM 227 CA VAL A 17 -2.762 -0.255 4.078 1.00 55.12 C ATOM 228 C VAL A 17 -2.515 1.244 3.948 1.00 51.54 C ATOM 229 O VAL A 17 -2.710 1.825 2.882 1.00 74.34 O ATOM 230 CB VAL A 17 -1.911 -0.997 3.029 1.00 72.24 C ATOM 231 CG1 VAL A 17 -0.500 -0.431 2.989 1.00 14.30 C ATOM 232 CG2 VAL A 17 -1.890 -2.490 3.319 1.00 23.14 C ATOM 0 H VAL A 17 -4.602 -0.220 3.073 1.00 53.20 H new ATOM 0 HA VAL A 17 -2.466 -0.584 5.074 1.00 55.12 H new ATOM 0 HB VAL A 17 -2.363 -0.849 2.048 1.00 72.24 H new ATOM 0 HG11 VAL A 17 0.086 -0.967 2.243 1.00 14.30 H new ATOM 0 HG12 VAL A 17 -0.539 0.627 2.728 1.00 14.30 H new ATOM 0 HG13 VAL A 17 -0.034 -0.546 3.968 1.00 14.30 H new ATOM 0 HG21 VAL A 17 -1.285 -2.998 2.568 1.00 23.14 H new ATOM 0 HG22 VAL A 17 -1.463 -2.663 4.307 1.00 23.14 H new ATOM 0 HG23 VAL A 17 -2.907 -2.881 3.290 1.00 23.14 H new ATOM 242 N SER A 18 -2.087 1.863 5.043 1.00 2.12 N ATOM 243 CA SER A 18 -1.818 3.297 5.054 1.00 12.15 C ATOM 244 C SER A 18 -0.402 3.587 4.566 1.00 74.21 C ATOM 245 O SER A 18 0.374 2.669 4.294 1.00 1.44 O ATOM 246 CB SER A 18 -2.009 3.862 6.462 1.00 62.24 C ATOM 247 OG SER A 18 -2.114 2.824 7.420 1.00 55.41 O ATOM 0 H SER A 18 -1.919 1.395 5.934 1.00 2.12 H new ATOM 0 HA SER A 18 -2.524 3.779 4.378 1.00 12.15 H new ATOM 0 HB2 SER A 18 -1.169 4.510 6.714 1.00 62.24 H new ATOM 0 HB3 SER A 18 -2.907 4.479 6.490 1.00 62.24 H new ATOM 0 HG SER A 18 -2.234 3.213 8.312 1.00 55.41 H new ATOM 253 N TYR A 19 -0.072 4.868 4.454 1.00 2.42 N ATOM 254 CA TYR A 19 1.250 5.281 3.996 1.00 42.32 C ATOM 255 C TYR A 19 2.345 4.527 4.743 1.00 30.24 C ATOM 256 O TYR A 19 3.285 4.014 4.136 1.00 53.21 O ATOM 257 CB TYR A 19 1.431 6.787 4.186 1.00 5.15 C ATOM 258 CG TYR A 19 1.249 7.243 5.617 1.00 32.25 C ATOM 259 CD1 TYR A 19 -0.018 7.465 6.140 1.00 25.40 C ATOM 260 CD2 TYR A 19 2.346 7.451 6.444 1.00 1.22 C ATOM 261 CE1 TYR A 19 -0.189 7.883 7.446 1.00 14.11 C ATOM 262 CE2 TYR A 19 2.185 7.867 7.752 1.00 40.24 C ATOM 263 CZ TYR A 19 0.916 8.082 8.248 1.00 3.44 C ATOM 264 OH TYR A 19 0.750 8.496 9.550 1.00 32.22 O ATOM 0 H TYR A 19 -0.702 5.640 4.674 1.00 2.42 H new ATOM 0 HA TYR A 19 1.330 5.044 2.935 1.00 42.32 H new ATOM 0 HB2 TYR A 19 2.427 7.070 3.847 1.00 5.15 H new ATOM 0 HB3 TYR A 19 0.717 7.313 3.552 1.00 5.15 H new ATOM 0 HD1 TYR A 19 -0.885 7.308 5.515 1.00 25.40 H new ATOM 0 HD2 TYR A 19 3.341 7.285 6.058 1.00 1.22 H new ATOM 0 HE1 TYR A 19 -1.181 8.053 7.837 1.00 14.11 H new ATOM 0 HE2 TYR A 19 3.048 8.023 8.382 1.00 40.24 H new ATOM 0 HH TYR A 19 1.627 8.588 9.978 1.00 32.22 H new ATOM 274 N GLU A 20 2.215 4.464 6.064 1.00 10.45 N ATOM 275 CA GLU A 20 3.195 3.773 6.895 1.00 11.20 C ATOM 276 C GLU A 20 3.277 2.294 6.525 1.00 62.23 C ATOM 277 O GLU A 20 4.365 1.745 6.361 1.00 2.10 O ATOM 278 CB GLU A 20 2.835 3.920 8.375 1.00 15.41 C ATOM 279 CG GLU A 20 3.728 4.893 9.126 1.00 32.14 C ATOM 280 CD GLU A 20 4.597 4.207 10.161 1.00 4.32 C ATOM 281 OE1 GLU A 20 5.548 3.502 9.766 1.00 3.25 O ATOM 282 OE2 GLU A 20 4.325 4.376 11.369 1.00 25.21 O ATOM 0 H GLU A 20 1.442 4.882 6.582 1.00 10.45 H new ATOM 0 HA GLU A 20 4.169 4.229 6.718 1.00 11.20 H new ATOM 0 HB2 GLU A 20 1.800 4.253 8.457 1.00 15.41 H new ATOM 0 HB3 GLU A 20 2.894 2.942 8.853 1.00 15.41 H new ATOM 0 HG2 GLU A 20 4.364 5.420 8.415 1.00 32.14 H new ATOM 0 HG3 GLU A 20 3.109 5.644 9.617 1.00 32.14 H new ATOM 289 N GLU A 21 2.116 1.659 6.394 1.00 15.11 N ATOM 290 CA GLU A 21 2.057 0.244 6.044 1.00 21.10 C ATOM 291 C GLU A 21 2.757 -0.017 4.714 1.00 22.31 C ATOM 292 O GLU A 21 3.461 -1.015 4.555 1.00 73.22 O ATOM 293 CB GLU A 21 0.602 -0.225 5.969 1.00 74.41 C ATOM 294 CG GLU A 21 0.043 -0.692 7.301 1.00 31.02 C ATOM 295 CD GLU A 21 -0.789 -1.954 7.175 1.00 34.23 C ATOM 296 OE1 GLU A 21 -0.210 -3.020 6.877 1.00 24.03 O ATOM 297 OE2 GLU A 21 -2.019 -1.875 7.374 1.00 22.50 O ATOM 0 H GLU A 21 1.206 2.101 6.525 1.00 15.11 H new ATOM 0 HA GLU A 21 2.573 -0.319 6.822 1.00 21.10 H new ATOM 0 HB2 GLU A 21 -0.015 0.591 5.592 1.00 74.41 H new ATOM 0 HB3 GLU A 21 0.529 -1.039 5.248 1.00 74.41 H new ATOM 0 HG2 GLU A 21 0.866 -0.871 7.993 1.00 31.02 H new ATOM 0 HG3 GLU A 21 -0.569 0.101 7.732 1.00 31.02 H new ATOM 304 N VAL A 22 2.559 0.887 3.760 1.00 23.03 N ATOM 305 CA VAL A 22 3.172 0.757 2.443 1.00 54.01 C ATOM 306 C VAL A 22 4.692 0.735 2.544 1.00 11.05 C ATOM 307 O VAL A 22 5.347 -0.175 2.034 1.00 30.22 O ATOM 308 CB VAL A 22 2.746 1.905 1.510 1.00 31.11 C ATOM 309 CG1 VAL A 22 3.581 1.897 0.238 1.00 45.12 C ATOM 310 CG2 VAL A 22 1.264 1.806 1.185 1.00 54.44 C ATOM 0 H VAL A 22 1.979 1.718 3.874 1.00 23.03 H new ATOM 0 HA VAL A 22 2.826 -0.188 2.025 1.00 54.01 H new ATOM 0 HB VAL A 22 2.919 2.851 2.024 1.00 31.11 H new ATOM 0 HG11 VAL A 22 3.266 2.715 -0.409 1.00 45.12 H new ATOM 0 HG12 VAL A 22 4.634 2.021 0.493 1.00 45.12 H new ATOM 0 HG13 VAL A 22 3.443 0.949 -0.282 1.00 45.12 H new ATOM 0 HG21 VAL A 22 0.981 2.626 0.525 1.00 54.44 H new ATOM 0 HG22 VAL A 22 1.063 0.856 0.691 1.00 54.44 H new ATOM 0 HG23 VAL A 22 0.685 1.866 2.106 1.00 54.44 H new ATOM 320 N LYS A 23 5.250 1.742 3.205 1.00 24.24 N ATOM 321 CA LYS A 23 6.696 1.840 3.376 1.00 64.32 C ATOM 322 C LYS A 23 7.237 0.631 4.132 1.00 51.43 C ATOM 323 O LYS A 23 8.341 0.160 3.859 1.00 5.20 O ATOM 324 CB LYS A 23 7.056 3.125 4.124 1.00 63.50 C ATOM 325 CG LYS A 23 7.664 4.197 3.235 1.00 0.34 C ATOM 326 CD LYS A 23 9.041 3.791 2.735 1.00 50.24 C ATOM 327 CE LYS A 23 10.025 3.630 3.883 1.00 52.23 C ATOM 328 NZ LYS A 23 10.099 4.856 4.727 1.00 34.43 N ATOM 0 H LYS A 23 4.723 2.504 3.632 1.00 24.24 H new ATOM 0 HA LYS A 23 7.153 1.863 2.387 1.00 64.32 H new ATOM 0 HB2 LYS A 23 6.159 3.523 4.597 1.00 63.50 H new ATOM 0 HB3 LYS A 23 7.758 2.886 4.923 1.00 63.50 H new ATOM 0 HG2 LYS A 23 7.007 4.382 2.385 1.00 0.34 H new ATOM 0 HG3 LYS A 23 7.738 5.132 3.790 1.00 0.34 H new ATOM 0 HD2 LYS A 23 8.967 2.854 2.183 1.00 50.24 H new ATOM 0 HD3 LYS A 23 9.413 4.543 2.038 1.00 50.24 H new ATOM 0 HE2 LYS A 23 9.728 2.782 4.500 1.00 52.23 H new ATOM 0 HE3 LYS A 23 11.014 3.403 3.485 1.00 52.23 H new ATOM 0 HZ1 LYS A 23 10.944 4.811 5.332 1.00 34.43 H new ATOM 0 HZ2 LYS A 23 10.155 5.695 4.116 1.00 34.43 H new ATOM 0 HZ3 LYS A 23 9.249 4.919 5.324 1.00 34.43 H new ATOM 342 N ALA A 24 6.452 0.132 5.081 1.00 3.24 N ATOM 343 CA ALA A 24 6.852 -1.024 5.874 1.00 33.11 C ATOM 344 C ALA A 24 6.832 -2.297 5.034 1.00 15.30 C ATOM 345 O ALA A 24 7.749 -3.115 5.108 1.00 14.51 O ATOM 346 CB ALA A 24 5.943 -1.174 7.085 1.00 12.21 C ATOM 0 H ALA A 24 5.535 0.510 5.319 1.00 3.24 H new ATOM 0 HA ALA A 24 7.873 -0.862 6.219 1.00 33.11 H new ATOM 0 HB1 ALA A 24 6.253 -2.041 7.668 1.00 12.21 H new ATOM 0 HB2 ALA A 24 6.010 -0.279 7.703 1.00 12.21 H new ATOM 0 HB3 ALA A 24 4.914 -1.310 6.753 1.00 12.21 H new ATOM 352 N PHE A 25 5.781 -2.460 4.238 1.00 22.31 N ATOM 353 CA PHE A 25 5.641 -3.635 3.385 1.00 3.11 C ATOM 354 C PHE A 25 6.899 -3.854 2.551 1.00 31.32 C ATOM 355 O PHE A 25 7.457 -4.952 2.524 1.00 23.31 O ATOM 356 CB PHE A 25 4.426 -3.484 2.468 1.00 72.12 C ATOM 357 CG PHE A 25 3.137 -3.920 3.103 1.00 25.20 C ATOM 358 CD1 PHE A 25 2.961 -3.832 4.475 1.00 15.21 C ATOM 359 CD2 PHE A 25 2.100 -4.417 2.329 1.00 32.44 C ATOM 360 CE1 PHE A 25 1.776 -4.233 5.063 1.00 20.31 C ATOM 361 CE2 PHE A 25 0.914 -4.817 2.911 1.00 51.30 C ATOM 362 CZ PHE A 25 0.751 -4.727 4.280 1.00 50.22 C ATOM 0 H PHE A 25 5.013 -1.793 4.165 1.00 22.31 H new ATOM 0 HA PHE A 25 5.496 -4.504 4.027 1.00 3.11 H new ATOM 0 HB2 PHE A 25 4.337 -2.441 2.165 1.00 72.12 H new ATOM 0 HB3 PHE A 25 4.590 -4.067 1.562 1.00 72.12 H new ATOM 0 HD1 PHE A 25 3.759 -3.446 5.092 1.00 15.21 H new ATOM 0 HD2 PHE A 25 2.221 -4.492 1.258 1.00 32.44 H new ATOM 0 HE1 PHE A 25 1.652 -4.160 6.133 1.00 20.31 H new ATOM 0 HE2 PHE A 25 0.113 -5.200 2.296 1.00 51.30 H new ATOM 0 HZ PHE A 25 -0.176 -5.042 4.737 1.00 50.22 H new ATOM 372 N VAL A 26 7.341 -2.801 1.869 1.00 41.44 N ATOM 373 CA VAL A 26 8.533 -2.877 1.034 1.00 34.24 C ATOM 374 C VAL A 26 9.793 -3.008 1.882 1.00 45.45 C ATOM 375 O VAL A 26 10.780 -3.610 1.460 1.00 43.01 O ATOM 376 CB VAL A 26 8.664 -1.638 0.128 1.00 52.11 C ATOM 377 CG1 VAL A 26 9.487 -0.560 0.815 1.00 70.43 C ATOM 378 CG2 VAL A 26 9.278 -2.019 -1.210 1.00 32.44 C ATOM 0 H VAL A 26 6.891 -1.886 1.879 1.00 41.44 H new ATOM 0 HA VAL A 26 8.425 -3.765 0.411 1.00 34.24 H new ATOM 0 HB VAL A 26 7.667 -1.237 -0.058 1.00 52.11 H new ATOM 0 HG11 VAL A 26 9.569 0.308 0.160 1.00 70.43 H new ATOM 0 HG12 VAL A 26 9.000 -0.268 1.745 1.00 70.43 H new ATOM 0 HG13 VAL A 26 10.483 -0.946 1.033 1.00 70.43 H new ATOM 0 HG21 VAL A 26 9.363 -1.132 -1.837 1.00 32.44 H new ATOM 0 HG22 VAL A 26 10.268 -2.445 -1.048 1.00 32.44 H new ATOM 0 HG23 VAL A 26 8.644 -2.754 -1.705 1.00 32.44 H new ATOM 388 N SER A 27 9.751 -2.440 3.084 1.00 61.15 N ATOM 389 CA SER A 27 10.891 -2.488 3.993 1.00 54.34 C ATOM 390 C SER A 27 11.207 -3.928 4.389 1.00 62.51 C ATOM 391 O SER A 27 12.333 -4.245 4.771 1.00 1.33 O ATOM 392 CB SER A 27 10.608 -1.654 5.243 1.00 22.34 C ATOM 393 OG SER A 27 11.306 -0.420 5.200 1.00 52.25 O ATOM 0 H SER A 27 8.940 -1.942 3.451 1.00 61.15 H new ATOM 0 HA SER A 27 11.756 -2.072 3.476 1.00 54.34 H new ATOM 0 HB2 SER A 27 9.537 -1.467 5.325 1.00 22.34 H new ATOM 0 HB3 SER A 27 10.903 -2.212 6.131 1.00 22.34 H new ATOM 0 HG SER A 27 11.108 0.096 6.009 1.00 52.25 H new ATOM 399 N LYS A 28 10.206 -4.795 4.293 1.00 44.54 N ATOM 400 CA LYS A 28 10.374 -6.201 4.641 1.00 72.43 C ATOM 401 C LYS A 28 11.181 -6.931 3.571 1.00 10.52 C ATOM 402 O LYS A 28 11.538 -8.098 3.737 1.00 3.31 O ATOM 403 CB LYS A 28 9.010 -6.873 4.812 1.00 5.45 C ATOM 404 CG LYS A 28 8.306 -6.497 6.105 1.00 21.10 C ATOM 405 CD LYS A 28 9.055 -7.018 7.320 1.00 14.54 C ATOM 406 CE LYS A 28 9.136 -8.536 7.315 1.00 13.42 C ATOM 407 NZ LYS A 28 8.955 -9.105 8.680 1.00 15.54 N ATOM 0 H LYS A 28 9.268 -4.549 3.977 1.00 44.54 H new ATOM 0 HA LYS A 28 10.918 -6.254 5.584 1.00 72.43 H new ATOM 0 HB2 LYS A 28 8.373 -6.604 3.969 1.00 5.45 H new ATOM 0 HB3 LYS A 28 9.140 -7.955 4.780 1.00 5.45 H new ATOM 0 HG2 LYS A 28 8.216 -5.413 6.169 1.00 21.10 H new ATOM 0 HG3 LYS A 28 7.294 -6.901 6.100 1.00 21.10 H new ATOM 0 HD2 LYS A 28 10.061 -6.599 7.336 1.00 14.54 H new ATOM 0 HD3 LYS A 28 8.555 -6.682 8.229 1.00 14.54 H new ATOM 0 HE2 LYS A 28 8.372 -8.938 6.649 1.00 13.42 H new ATOM 0 HE3 LYS A 28 10.102 -8.847 6.917 1.00 13.42 H new ATOM 0 HZ1 LYS A 28 9.017 -10.142 8.635 1.00 15.54 H new ATOM 0 HZ2 LYS A 28 9.699 -8.741 9.309 1.00 15.54 H new ATOM 0 HZ3 LYS A 28 8.023 -8.830 9.050 1.00 15.54 H new ATOM 421 N LYS A 29 11.466 -6.238 2.475 1.00 74.34 N ATOM 422 CA LYS A 29 12.233 -6.819 1.379 1.00 35.04 C ATOM 423 C LYS A 29 13.621 -6.192 1.295 1.00 13.32 C ATOM 424 O LYS A 29 14.549 -6.787 0.745 1.00 40.23 O ATOM 425 CB LYS A 29 11.494 -6.626 0.053 1.00 2.33 C ATOM 426 CG LYS A 29 9.998 -6.868 0.150 1.00 41.51 C ATOM 427 CD LYS A 29 9.691 -8.232 0.746 1.00 64.12 C ATOM 428 CE LYS A 29 10.254 -9.354 -0.113 1.00 2.22 C ATOM 429 NZ LYS A 29 9.721 -9.312 -1.502 1.00 23.24 N ATOM 0 H LYS A 29 11.177 -5.272 2.321 1.00 74.34 H new ATOM 0 HA LYS A 29 12.346 -7.886 1.573 1.00 35.04 H new ATOM 0 HB2 LYS A 29 11.667 -5.611 -0.305 1.00 2.33 H new ATOM 0 HB3 LYS A 29 11.916 -7.303 -0.690 1.00 2.33 H new ATOM 0 HG2 LYS A 29 9.542 -6.091 0.763 1.00 41.51 H new ATOM 0 HG3 LYS A 29 9.552 -6.794 -0.842 1.00 41.51 H new ATOM 0 HD2 LYS A 29 10.111 -8.295 1.750 1.00 64.12 H new ATOM 0 HD3 LYS A 29 8.612 -8.353 0.844 1.00 64.12 H new ATOM 0 HE2 LYS A 29 11.341 -9.280 -0.139 1.00 2.22 H new ATOM 0 HE3 LYS A 29 10.011 -10.315 0.340 1.00 2.22 H new ATOM 0 HZ1 LYS A 29 9.948 -10.203 -1.988 1.00 23.24 H new ATOM 0 HZ2 LYS A 29 8.689 -9.186 -1.474 1.00 23.24 H new ATOM 0 HZ3 LYS A 29 10.153 -8.518 -2.016 1.00 23.24 H new ATOM 443 N ARG A 30 13.758 -4.990 1.845 1.00 54.24 N ATOM 444 CA ARG A 30 15.033 -4.285 1.832 1.00 64.22 C ATOM 445 C ARG A 30 14.948 -2.993 2.641 1.00 73.15 C ATOM 446 O ARG A 30 13.939 -2.722 3.291 1.00 21.24 O ATOM 447 CB ARG A 30 15.452 -3.972 0.394 1.00 24.11 C ATOM 448 CG ARG A 30 14.388 -3.237 -0.405 1.00 42.54 C ATOM 449 CD ARG A 30 14.198 -3.856 -1.781 1.00 1.42 C ATOM 450 NE ARG A 30 15.473 -4.098 -2.452 1.00 12.43 N ATOM 451 CZ ARG A 30 16.158 -3.157 -3.091 1.00 4.10 C ATOM 452 NH1 ARG A 30 15.693 -1.917 -3.146 1.00 70.31 N ATOM 453 NH2 ARG A 30 17.310 -3.456 -3.677 1.00 24.20 N ATOM 0 H ARG A 30 13.001 -4.484 2.305 1.00 54.24 H new ATOM 0 HA ARG A 30 15.782 -4.931 2.289 1.00 64.22 H new ATOM 0 HB2 ARG A 30 16.361 -3.370 0.412 1.00 24.11 H new ATOM 0 HB3 ARG A 30 15.697 -4.904 -0.115 1.00 24.11 H new ATOM 0 HG2 ARG A 30 13.443 -3.259 0.139 1.00 42.54 H new ATOM 0 HG3 ARG A 30 14.670 -2.190 -0.512 1.00 42.54 H new ATOM 0 HD2 ARG A 30 13.655 -4.796 -1.684 1.00 1.42 H new ATOM 0 HD3 ARG A 30 13.585 -3.196 -2.394 1.00 1.42 H new ATOM 0 HE ARG A 30 15.858 -5.042 -2.428 1.00 12.43 H new ATOM 0 HH11 ARG A 30 14.807 -1.684 -2.697 1.00 70.31 H new ATOM 0 HH12 ARG A 30 16.221 -1.196 -3.637 1.00 70.31 H new ATOM 0 HH21 ARG A 30 17.670 -4.409 -3.637 1.00 24.20 H new ATOM 0 HH22 ARG A 30 17.835 -2.732 -4.168 1.00 24.20 H new ATOM 467 N ALA A 31 16.014 -2.201 2.596 1.00 74.24 N ATOM 468 CA ALA A 31 16.059 -0.938 3.322 1.00 1.04 C ATOM 469 C ALA A 31 16.137 0.245 2.363 1.00 52.24 C ATOM 470 O ALA A 31 17.219 0.621 1.913 1.00 71.40 O ATOM 471 CB ALA A 31 17.242 -0.922 4.279 1.00 72.10 C ATOM 0 H ALA A 31 16.858 -2.412 2.064 1.00 74.24 H new ATOM 0 HA ALA A 31 15.138 -0.845 3.897 1.00 1.04 H new ATOM 0 HB1 ALA A 31 17.264 0.027 4.815 1.00 72.10 H new ATOM 0 HB2 ALA A 31 17.143 -1.740 4.993 1.00 72.10 H new ATOM 0 HB3 ALA A 31 18.167 -1.042 3.716 1.00 72.10 H new ATOM 477 N ILE A 32 14.982 0.826 2.053 1.00 44.50 N ATOM 478 CA ILE A 32 14.920 1.966 1.149 1.00 63.54 C ATOM 479 C ILE A 32 14.039 3.073 1.718 1.00 63.11 C ATOM 480 O ILE A 32 12.811 2.994 1.666 1.00 12.44 O ATOM 481 CB ILE A 32 14.381 1.557 -0.235 1.00 25.35 C ATOM 482 CG1 ILE A 32 13.118 0.706 -0.084 1.00 21.44 C ATOM 483 CG2 ILE A 32 15.446 0.802 -1.016 1.00 25.52 C ATOM 484 CD1 ILE A 32 12.014 1.089 -1.044 1.00 43.04 C ATOM 0 H ILE A 32 14.077 0.525 2.415 1.00 44.50 H new ATOM 0 HA ILE A 32 15.939 2.337 1.039 1.00 63.54 H new ATOM 0 HB ILE A 32 14.123 2.459 -0.790 1.00 25.35 H new ATOM 0 HG12 ILE A 32 13.375 -0.342 -0.238 1.00 21.44 H new ATOM 0 HG13 ILE A 32 12.748 0.797 0.937 1.00 21.44 H new ATOM 0 HG21 ILE A 32 15.050 0.520 -1.992 1.00 25.52 H new ATOM 0 HG22 ILE A 32 16.320 1.440 -1.150 1.00 25.52 H new ATOM 0 HG23 ILE A 32 15.732 -0.095 -0.467 1.00 25.52 H new ATOM 0 HD11 ILE A 32 11.150 0.445 -0.881 1.00 43.04 H new ATOM 0 HD12 ILE A 32 11.729 2.128 -0.875 1.00 43.04 H new ATOM 0 HD13 ILE A 32 12.366 0.971 -2.069 1.00 43.04 H new ATOM 496 N LYS A 33 14.674 4.106 2.260 1.00 64.01 N ATOM 497 CA LYS A 33 13.949 5.232 2.838 1.00 62.21 C ATOM 498 C LYS A 33 13.608 6.266 1.769 1.00 73.23 C ATOM 499 O LYS A 33 14.468 7.029 1.333 1.00 63.51 O ATOM 500 CB LYS A 33 14.779 5.886 3.946 1.00 52.34 C ATOM 501 CG LYS A 33 16.189 6.252 3.514 1.00 62.12 C ATOM 502 CD LYS A 33 17.232 5.595 4.403 1.00 22.14 C ATOM 503 CE LYS A 33 18.428 6.508 4.625 1.00 12.13 C ATOM 504 NZ LYS A 33 18.186 7.482 5.725 1.00 4.22 N ATOM 0 H LYS A 33 15.689 4.187 2.311 1.00 64.01 H new ATOM 0 HA LYS A 33 13.020 4.853 3.263 1.00 62.21 H new ATOM 0 HB2 LYS A 33 14.268 6.786 4.288 1.00 52.34 H new ATOM 0 HB3 LYS A 33 14.833 5.207 4.797 1.00 52.34 H new ATOM 0 HG2 LYS A 33 16.345 5.945 2.480 1.00 62.12 H new ATOM 0 HG3 LYS A 33 16.311 7.335 3.547 1.00 62.12 H new ATOM 0 HD2 LYS A 33 16.784 5.339 5.363 1.00 22.14 H new ATOM 0 HD3 LYS A 33 17.564 4.662 3.948 1.00 22.14 H new ATOM 0 HE2 LYS A 33 19.306 5.906 4.860 1.00 12.13 H new ATOM 0 HE3 LYS A 33 18.649 7.048 3.704 1.00 12.13 H new ATOM 0 HZ1 LYS A 33 19.024 8.086 5.845 1.00 4.22 H new ATOM 0 HZ2 LYS A 33 17.364 8.074 5.490 1.00 4.22 H new ATOM 0 HZ3 LYS A 33 18.001 6.968 6.610 1.00 4.22 H new ATOM 518 N ASN A 34 12.346 6.283 1.351 1.00 20.43 N ATOM 519 CA ASN A 34 11.890 7.223 0.333 1.00 22.24 C ATOM 520 C ASN A 34 10.714 8.049 0.843 1.00 30.32 C ATOM 521 O ASN A 34 9.579 7.574 0.881 1.00 33.23 O ATOM 522 CB ASN A 34 11.489 6.475 -0.940 1.00 21.11 C ATOM 523 CG ASN A 34 12.662 5.760 -1.584 1.00 65.32 C ATOM 524 OD1 ASN A 34 12.668 4.534 -1.700 1.00 24.15 O ATOM 525 ND2 ASN A 34 13.660 6.526 -2.008 1.00 21.30 N ATOM 0 H ASN A 34 11.621 5.657 1.701 1.00 20.43 H new ATOM 0 HA ASN A 34 12.714 7.899 0.104 1.00 22.24 H new ATOM 0 HB2 ASN A 34 10.711 5.750 -0.702 1.00 21.11 H new ATOM 0 HB3 ASN A 34 11.061 7.180 -1.653 1.00 21.11 H new ATOM 0 HD21 ASN A 34 14.475 6.102 -2.451 1.00 21.30 H new ATOM 0 HD22 ASN A 34 13.611 7.538 -1.891 1.00 21.30 H new ATOM 532 N GLU A 35 10.993 9.289 1.233 1.00 24.20 N ATOM 533 CA GLU A 35 9.957 10.181 1.742 1.00 71.51 C ATOM 534 C GLU A 35 9.080 10.699 0.605 1.00 73.43 C ATOM 535 O GLU A 35 7.858 10.761 0.730 1.00 2.42 O ATOM 536 CB GLU A 35 10.588 11.358 2.490 1.00 73.12 C ATOM 537 CG GLU A 35 10.409 11.285 3.997 1.00 23.24 C ATOM 538 CD GLU A 35 8.999 11.632 4.435 1.00 33.55 C ATOM 539 OE1 GLU A 35 8.046 11.245 3.725 1.00 21.14 O ATOM 540 OE2 GLU A 35 8.849 12.290 5.485 1.00 45.01 O ATOM 0 H GLU A 35 11.927 9.699 1.206 1.00 24.20 H new ATOM 0 HA GLU A 35 9.332 9.614 2.432 1.00 71.51 H new ATOM 0 HB2 GLU A 35 11.653 11.395 2.260 1.00 73.12 H new ATOM 0 HB3 GLU A 35 10.150 12.287 2.125 1.00 73.12 H new ATOM 0 HG2 GLU A 35 10.655 10.280 4.340 1.00 23.24 H new ATOM 0 HG3 GLU A 35 11.112 11.966 4.476 1.00 23.24 H new ATOM 547 N GLN A 36 9.715 11.069 -0.503 1.00 2.11 N ATOM 548 CA GLN A 36 8.993 11.582 -1.661 1.00 43.32 C ATOM 549 C GLN A 36 8.229 10.466 -2.366 1.00 53.11 C ATOM 550 O GLN A 36 7.044 10.606 -2.671 1.00 33.15 O ATOM 551 CB GLN A 36 9.961 12.249 -2.638 1.00 24.31 C ATOM 552 CG GLN A 36 9.364 13.440 -3.371 1.00 2.11 C ATOM 553 CD GLN A 36 9.421 13.287 -4.878 1.00 53.12 C ATOM 554 OE1 GLN A 36 10.373 13.728 -5.522 1.00 15.01 O ATOM 555 NE2 GLN A 36 8.400 12.659 -5.449 1.00 42.32 N ATOM 0 H GLN A 36 10.727 11.023 -0.623 1.00 2.11 H new ATOM 0 HA GLN A 36 8.275 12.323 -1.310 1.00 43.32 H new ATOM 0 HB2 GLN A 36 10.846 12.576 -2.093 1.00 24.31 H new ATOM 0 HB3 GLN A 36 10.291 11.511 -3.369 1.00 24.31 H new ATOM 0 HG2 GLN A 36 8.327 13.569 -3.062 1.00 2.11 H new ATOM 0 HG3 GLN A 36 9.898 14.345 -3.081 1.00 2.11 H new ATOM 0 HE21 GLN A 36 7.632 12.309 -4.876 1.00 42.32 H new ATOM 0 HE22 GLN A 36 8.384 12.526 -6.460 1.00 42.32 H new ATOM 564 N LEU A 37 8.916 9.357 -2.622 1.00 64.44 N ATOM 565 CA LEU A 37 8.302 8.216 -3.292 1.00 20.35 C ATOM 566 C LEU A 37 7.150 7.655 -2.467 1.00 44.51 C ATOM 567 O LEU A 37 6.126 7.239 -3.011 1.00 22.42 O ATOM 568 CB LEU A 37 9.346 7.124 -3.540 1.00 30.31 C ATOM 569 CG LEU A 37 9.031 6.137 -4.664 1.00 44.11 C ATOM 570 CD1 LEU A 37 9.395 6.733 -6.015 1.00 63.55 C ATOM 571 CD2 LEU A 37 9.767 4.824 -4.443 1.00 73.22 C ATOM 0 H LEU A 37 9.897 9.224 -2.376 1.00 64.44 H new ATOM 0 HA LEU A 37 7.906 8.557 -4.249 1.00 20.35 H new ATOM 0 HB2 LEU A 37 10.299 7.604 -3.762 1.00 30.31 H new ATOM 0 HB3 LEU A 37 9.480 6.561 -2.616 1.00 30.31 H new ATOM 0 HG LEU A 37 7.960 5.936 -4.655 1.00 44.11 H new ATOM 0 HD11 LEU A 37 9.164 6.016 -6.803 1.00 63.55 H new ATOM 0 HD12 LEU A 37 8.822 7.646 -6.176 1.00 63.55 H new ATOM 0 HD13 LEU A 37 10.460 6.964 -6.036 1.00 63.55 H new ATOM 0 HD21 LEU A 37 9.531 4.134 -5.253 1.00 73.22 H new ATOM 0 HD22 LEU A 37 10.841 5.008 -4.425 1.00 73.22 H new ATOM 0 HD23 LEU A 37 9.457 4.389 -3.493 1.00 73.22 H new ATOM 583 N LEU A 38 7.321 7.647 -1.149 1.00 71.21 N ATOM 584 CA LEU A 38 6.293 7.140 -0.246 1.00 71.23 C ATOM 585 C LEU A 38 5.021 7.975 -0.345 1.00 34.31 C ATOM 586 O LEU A 38 3.922 7.436 -0.465 1.00 41.52 O ATOM 587 CB LEU A 38 6.807 7.140 1.194 1.00 4.20 C ATOM 588 CG LEU A 38 5.785 6.769 2.270 1.00 23.21 C ATOM 589 CD1 LEU A 38 4.973 7.989 2.678 1.00 62.40 C ATOM 590 CD2 LEU A 38 4.871 5.658 1.778 1.00 54.40 C ATOM 0 H LEU A 38 8.162 7.986 -0.682 1.00 71.21 H new ATOM 0 HA LEU A 38 6.057 6.117 -0.541 1.00 71.23 H new ATOM 0 HB2 LEU A 38 7.644 6.445 1.260 1.00 4.20 H new ATOM 0 HB3 LEU A 38 7.198 8.132 1.419 1.00 4.20 H new ATOM 0 HG LEU A 38 6.324 6.407 3.146 1.00 23.21 H new ATOM 0 HD11 LEU A 38 4.251 7.706 3.444 1.00 62.40 H new ATOM 0 HD12 LEU A 38 5.640 8.755 3.073 1.00 62.40 H new ATOM 0 HD13 LEU A 38 4.445 8.382 1.809 1.00 62.40 H new ATOM 0 HD21 LEU A 38 4.151 5.408 2.557 1.00 54.40 H new ATOM 0 HD22 LEU A 38 4.340 5.992 0.887 1.00 54.40 H new ATOM 0 HD23 LEU A 38 5.466 4.777 1.537 1.00 54.40 H new ATOM 602 N GLN A 39 5.180 9.294 -0.298 1.00 3.20 N ATOM 603 CA GLN A 39 4.043 10.203 -0.383 1.00 52.31 C ATOM 604 C GLN A 39 3.330 10.058 -1.724 1.00 4.44 C ATOM 605 O GLN A 39 2.113 9.870 -1.774 1.00 41.11 O ATOM 606 CB GLN A 39 4.505 11.649 -0.191 1.00 43.43 C ATOM 607 CG GLN A 39 3.553 12.485 0.650 1.00 12.52 C ATOM 608 CD GLN A 39 2.232 12.744 -0.046 1.00 63.31 C ATOM 609 OE1 GLN A 39 1.354 11.882 -0.078 1.00 74.12 O ATOM 610 NE2 GLN A 39 2.084 13.938 -0.609 1.00 52.35 N ATOM 0 H GLN A 39 6.084 9.756 -0.202 1.00 3.20 H new ATOM 0 HA GLN A 39 3.342 9.944 0.410 1.00 52.31 H new ATOM 0 HB2 GLN A 39 5.488 11.648 0.280 1.00 43.43 H new ATOM 0 HB3 GLN A 39 4.620 12.118 -1.168 1.00 43.43 H new ATOM 0 HG2 GLN A 39 3.367 11.976 1.596 1.00 12.52 H new ATOM 0 HG3 GLN A 39 4.026 13.437 0.889 1.00 12.52 H new ATOM 0 HE21 GLN A 39 2.838 14.623 -0.558 1.00 52.35 H new ATOM 0 HE22 GLN A 39 1.216 14.170 -1.092 1.00 52.35 H new ATOM 619 N LEU A 40 4.093 10.147 -2.807 1.00 22.01 N ATOM 620 CA LEU A 40 3.534 10.026 -4.148 1.00 72.12 C ATOM 621 C LEU A 40 2.897 8.654 -4.351 1.00 72.41 C ATOM 622 O LEU A 40 1.742 8.551 -4.767 1.00 30.14 O ATOM 623 CB LEU A 40 4.622 10.256 -5.198 1.00 53.00 C ATOM 624 CG LEU A 40 4.208 11.061 -6.430 1.00 44.31 C ATOM 625 CD1 LEU A 40 5.340 11.109 -7.444 1.00 21.03 C ATOM 626 CD2 LEU A 40 2.953 10.469 -7.057 1.00 21.12 C ATOM 0 H LEU A 40 5.101 10.303 -2.783 1.00 22.01 H new ATOM 0 HA LEU A 40 2.761 10.786 -4.262 1.00 72.12 H new ATOM 0 HB2 LEU A 40 5.458 10.766 -4.720 1.00 53.00 H new ATOM 0 HB3 LEU A 40 4.989 9.285 -5.530 1.00 53.00 H new ATOM 0 HG LEU A 40 3.987 12.081 -6.115 1.00 44.31 H new ATOM 0 HD11 LEU A 40 5.025 11.686 -8.313 1.00 21.03 H new ATOM 0 HD12 LEU A 40 6.213 11.580 -6.992 1.00 21.03 H new ATOM 0 HD13 LEU A 40 5.594 10.095 -7.754 1.00 21.03 H new ATOM 0 HD21 LEU A 40 2.673 11.055 -7.933 1.00 21.12 H new ATOM 0 HD22 LEU A 40 3.147 9.439 -7.356 1.00 21.12 H new ATOM 0 HD23 LEU A 40 2.140 10.489 -6.332 1.00 21.12 H new ATOM 638 N ILE A 41 3.657 7.606 -4.054 1.00 72.23 N ATOM 639 CA ILE A 41 3.165 6.241 -4.201 1.00 75.24 C ATOM 640 C ILE A 41 1.959 5.991 -3.302 1.00 64.03 C ATOM 641 O ILE A 41 1.063 5.220 -3.646 1.00 70.52 O ATOM 642 CB ILE A 41 4.260 5.210 -3.870 1.00 50.13 C ATOM 643 CG1 ILE A 41 5.358 5.241 -4.935 1.00 33.13 C ATOM 644 CG2 ILE A 41 3.659 3.816 -3.762 1.00 21.44 C ATOM 645 CD1 ILE A 41 4.889 4.792 -6.301 1.00 20.54 C ATOM 0 H ILE A 41 4.615 7.675 -3.710 1.00 72.23 H new ATOM 0 HA ILE A 41 2.869 6.123 -5.243 1.00 75.24 H new ATOM 0 HB ILE A 41 4.704 5.469 -2.909 1.00 50.13 H new ATOM 0 HG12 ILE A 41 5.751 6.255 -5.010 1.00 33.13 H new ATOM 0 HG13 ILE A 41 6.181 4.603 -4.615 1.00 33.13 H new ATOM 0 HG21 ILE A 41 4.445 3.098 -3.528 1.00 21.44 H new ATOM 0 HG22 ILE A 41 2.909 3.804 -2.971 1.00 21.44 H new ATOM 0 HG23 ILE A 41 3.192 3.547 -4.709 1.00 21.44 H new ATOM 0 HD11 ILE A 41 5.720 4.840 -7.005 1.00 20.54 H new ATOM 0 HD12 ILE A 41 4.523 3.767 -6.241 1.00 20.54 H new ATOM 0 HD13 ILE A 41 4.086 5.445 -6.643 1.00 20.54 H new ATOM 657 N PHE A 42 1.942 6.651 -2.148 1.00 54.21 N ATOM 658 CA PHE A 42 0.845 6.501 -1.199 1.00 21.20 C ATOM 659 C PHE A 42 -0.480 6.924 -1.828 1.00 23.22 C ATOM 660 O PHE A 42 -1.465 6.187 -1.784 1.00 11.11 O ATOM 661 CB PHE A 42 1.114 7.331 0.058 1.00 51.13 C ATOM 662 CG PHE A 42 -0.064 7.410 0.987 1.00 25.12 C ATOM 663 CD1 PHE A 42 -0.770 6.268 1.331 1.00 22.45 C ATOM 664 CD2 PHE A 42 -0.465 8.626 1.517 1.00 23.10 C ATOM 665 CE1 PHE A 42 -1.854 6.337 2.186 1.00 30.54 C ATOM 666 CE2 PHE A 42 -1.547 8.701 2.372 1.00 42.50 C ATOM 667 CZ PHE A 42 -2.243 7.555 2.708 1.00 73.45 C ATOM 0 H PHE A 42 2.675 7.294 -1.848 1.00 54.21 H new ATOM 0 HA PHE A 42 0.776 5.449 -0.924 1.00 21.20 H new ATOM 0 HB2 PHE A 42 1.961 6.901 0.593 1.00 51.13 H new ATOM 0 HB3 PHE A 42 1.402 8.340 -0.237 1.00 51.13 H new ATOM 0 HD1 PHE A 42 -0.470 5.313 0.926 1.00 22.45 H new ATOM 0 HD2 PHE A 42 0.075 9.525 1.259 1.00 23.10 H new ATOM 0 HE1 PHE A 42 -2.396 5.440 2.445 1.00 30.54 H new ATOM 0 HE2 PHE A 42 -1.849 9.655 2.778 1.00 42.50 H new ATOM 0 HZ PHE A 42 -3.089 7.612 3.377 1.00 73.45 H new ATOM 677 N LYS A 43 -0.496 8.116 -2.413 1.00 4.12 N ATOM 678 CA LYS A 43 -1.698 8.640 -3.052 1.00 43.11 C ATOM 679 C LYS A 43 -1.983 7.905 -4.358 1.00 1.03 C ATOM 680 O LYS A 43 -3.137 7.759 -4.760 1.00 5.30 O ATOM 681 CB LYS A 43 -1.546 10.139 -3.320 1.00 50.52 C ATOM 682 CG LYS A 43 -2.775 10.951 -2.947 1.00 11.51 C ATOM 683 CD LYS A 43 -2.607 12.416 -3.311 1.00 33.30 C ATOM 684 CE LYS A 43 -2.806 13.318 -2.103 1.00 70.13 C ATOM 685 NZ LYS A 43 -4.143 13.120 -1.478 1.00 44.15 N ATOM 0 H LYS A 43 0.311 8.739 -2.458 1.00 4.12 H new ATOM 0 HA LYS A 43 -2.538 8.482 -2.376 1.00 43.11 H new ATOM 0 HB2 LYS A 43 -0.689 10.515 -2.761 1.00 50.52 H new ATOM 0 HB3 LYS A 43 -1.328 10.290 -4.377 1.00 50.52 H new ATOM 0 HG2 LYS A 43 -3.648 10.546 -3.458 1.00 11.51 H new ATOM 0 HG3 LYS A 43 -2.961 10.860 -1.877 1.00 11.51 H new ATOM 0 HD2 LYS A 43 -1.612 12.577 -3.726 1.00 33.30 H new ATOM 0 HD3 LYS A 43 -3.324 12.683 -4.088 1.00 33.30 H new ATOM 0 HE2 LYS A 43 -2.028 13.117 -1.367 1.00 70.13 H new ATOM 0 HE3 LYS A 43 -2.697 14.360 -2.405 1.00 70.13 H new ATOM 0 HZ1 LYS A 43 -4.441 14.000 -1.010 1.00 44.15 H new ATOM 0 HZ2 LYS A 43 -4.835 12.867 -2.212 1.00 44.15 H new ATOM 0 HZ3 LYS A 43 -4.088 12.355 -0.775 1.00 44.15 H new ATOM 699 N SER A 44 -0.924 7.443 -5.016 1.00 3.13 N ATOM 700 CA SER A 44 -1.061 6.726 -6.277 1.00 61.45 C ATOM 701 C SER A 44 -1.697 5.357 -6.057 1.00 51.13 C ATOM 702 O SER A 44 -2.642 4.980 -6.752 1.00 60.05 O ATOM 703 CB SER A 44 0.304 6.565 -6.948 1.00 51.10 C ATOM 704 OG SER A 44 0.681 7.748 -7.630 1.00 42.42 O ATOM 0 H SER A 44 0.038 7.553 -4.696 1.00 3.13 H new ATOM 0 HA SER A 44 -1.711 7.309 -6.929 1.00 61.45 H new ATOM 0 HB2 SER A 44 1.055 6.320 -6.197 1.00 51.10 H new ATOM 0 HB3 SER A 44 0.271 5.732 -7.650 1.00 51.10 H new ATOM 0 HG SER A 44 1.099 8.370 -6.999 1.00 42.42 H new ATOM 710 N ILE A 45 -1.173 4.617 -5.087 1.00 13.44 N ATOM 711 CA ILE A 45 -1.689 3.290 -4.774 1.00 2.40 C ATOM 712 C ILE A 45 -3.111 3.368 -4.228 1.00 41.21 C ATOM 713 O ILE A 45 -3.937 2.494 -4.492 1.00 72.23 O ATOM 714 CB ILE A 45 -0.797 2.566 -3.748 1.00 32.01 C ATOM 715 CG1 ILE A 45 0.573 2.260 -4.357 1.00 72.33 C ATOM 716 CG2 ILE A 45 -1.468 1.287 -3.272 1.00 2.10 C ATOM 717 CD1 ILE A 45 1.505 1.530 -3.415 1.00 42.44 C ATOM 0 H ILE A 45 -0.391 4.914 -4.503 1.00 13.44 H new ATOM 0 HA ILE A 45 -1.690 2.724 -5.706 1.00 2.40 H new ATOM 0 HB ILE A 45 -0.654 3.220 -2.888 1.00 32.01 H new ATOM 0 HG12 ILE A 45 0.436 1.660 -5.256 1.00 72.33 H new ATOM 0 HG13 ILE A 45 1.041 3.195 -4.666 1.00 72.33 H new ATOM 0 HG21 ILE A 45 -0.825 0.787 -2.548 1.00 2.10 H new ATOM 0 HG22 ILE A 45 -2.422 1.529 -2.804 1.00 2.10 H new ATOM 0 HG23 ILE A 45 -1.638 0.627 -4.123 1.00 2.10 H new ATOM 0 HD11 ILE A 45 2.457 1.347 -3.914 1.00 42.44 H new ATOM 0 HD12 ILE A 45 1.673 2.138 -2.526 1.00 42.44 H new ATOM 0 HD13 ILE A 45 1.058 0.579 -3.125 1.00 42.44 H new ATOM 729 N ASP A 46 -3.390 4.421 -3.467 1.00 31.32 N ATOM 730 CA ASP A 46 -4.713 4.616 -2.887 1.00 21.11 C ATOM 731 C ASP A 46 -5.655 5.273 -3.890 1.00 43.33 C ATOM 732 O ASP A 46 -5.398 6.378 -4.366 1.00 65.11 O ATOM 733 CB ASP A 46 -4.617 5.471 -1.622 1.00 52.54 C ATOM 734 CG ASP A 46 -5.685 5.119 -0.604 1.00 31.01 C ATOM 735 OD1 ASP A 46 -6.714 4.534 -1.001 1.00 72.25 O ATOM 736 OD2 ASP A 46 -5.489 5.428 0.590 1.00 44.31 O ATOM 0 H ASP A 46 -2.717 5.152 -3.238 1.00 31.32 H new ATOM 0 HA ASP A 46 -5.116 3.638 -2.625 1.00 21.11 H new ATOM 0 HB2 ASP A 46 -3.633 5.340 -1.172 1.00 52.54 H new ATOM 0 HB3 ASP A 46 -4.707 6.524 -1.890 1.00 52.54 H new ATOM 741 N ALA A 47 -6.747 4.585 -4.208 1.00 4.33 N ATOM 742 CA ALA A 47 -7.728 5.103 -5.153 1.00 61.13 C ATOM 743 C ALA A 47 -8.412 6.352 -4.607 1.00 31.22 C ATOM 744 O ALA A 47 -8.654 7.310 -5.341 1.00 21.12 O ATOM 745 CB ALA A 47 -8.761 4.034 -5.480 1.00 13.11 C ATOM 0 H ALA A 47 -6.974 3.667 -3.825 1.00 4.33 H new ATOM 0 HA ALA A 47 -7.203 5.379 -6.068 1.00 61.13 H new ATOM 0 HB1 ALA A 47 -9.488 4.434 -6.187 1.00 13.11 H new ATOM 0 HB2 ALA A 47 -8.264 3.170 -5.921 1.00 13.11 H new ATOM 0 HB3 ALA A 47 -9.273 3.731 -4.566 1.00 13.11 H new ATOM 751 N ASP A 48 -8.720 6.334 -3.315 1.00 42.54 N ATOM 752 CA ASP A 48 -9.376 7.466 -2.670 1.00 33.52 C ATOM 753 C ASP A 48 -8.412 8.194 -1.739 1.00 24.13 C ATOM 754 O ASP A 48 -8.667 9.323 -1.324 1.00 3.23 O ATOM 755 CB ASP A 48 -10.603 6.994 -1.888 1.00 22.44 C ATOM 756 CG ASP A 48 -10.255 5.961 -0.835 1.00 54.02 C ATOM 757 OD1 ASP A 48 -9.071 5.575 -0.750 1.00 35.20 O ATOM 758 OD2 ASP A 48 -11.168 5.536 -0.096 1.00 14.24 O ATOM 0 H ASP A 48 -8.526 5.549 -2.694 1.00 42.54 H new ATOM 0 HA ASP A 48 -9.696 8.160 -3.447 1.00 33.52 H new ATOM 0 HB2 ASP A 48 -11.077 7.851 -1.410 1.00 22.44 H new ATOM 0 HB3 ASP A 48 -11.331 6.572 -2.580 1.00 22.44 H new ATOM 763 N GLY A 49 -7.302 7.537 -1.412 1.00 71.35 N ATOM 764 CA GLY A 49 -6.318 8.137 -0.532 1.00 1.44 C ATOM 765 C GLY A 49 -6.892 8.488 0.827 1.00 60.01 C ATOM 766 O GLY A 49 -6.485 9.471 1.444 1.00 4.42 O ATOM 0 H GLY A 49 -7.068 6.600 -1.741 1.00 71.35 H new ATOM 0 HA2 GLY A 49 -5.483 7.449 -0.403 1.00 1.44 H new ATOM 0 HA3 GLY A 49 -5.920 9.038 -0.998 1.00 1.44 H new ATOM 770 N ASN A 50 -7.842 7.683 1.291 1.00 64.33 N ATOM 771 CA ASN A 50 -8.476 7.916 2.583 1.00 3.43 C ATOM 772 C ASN A 50 -7.654 7.300 3.712 1.00 32.02 C ATOM 773 O ASN A 50 -7.974 6.221 4.209 1.00 23.13 O ATOM 774 CB ASN A 50 -9.891 7.335 2.594 1.00 65.33 C ATOM 775 CG ASN A 50 -9.904 5.839 2.351 1.00 53.02 C ATOM 776 OD1 ASN A 50 -8.954 5.280 1.803 1.00 12.51 O ATOM 777 ND2 ASN A 50 -10.985 5.183 2.757 1.00 14.21 N ATOM 0 H ASN A 50 -8.189 6.864 0.792 1.00 64.33 H new ATOM 0 HA ASN A 50 -8.531 8.993 2.742 1.00 3.43 H new ATOM 0 HB2 ASN A 50 -10.361 7.548 3.554 1.00 65.33 H new ATOM 0 HB3 ASN A 50 -10.490 7.830 1.829 1.00 65.33 H new ATOM 0 HD21 ASN A 50 -11.051 4.175 2.619 1.00 14.21 H new ATOM 0 HD22 ASN A 50 -11.749 5.688 3.207 1.00 14.21 H new ATOM 784 N GLY A 51 -6.592 7.994 4.110 1.00 15.00 N ATOM 785 CA GLY A 51 -5.740 7.500 5.177 1.00 53.01 C ATOM 786 C GLY A 51 -4.961 6.264 4.770 1.00 41.53 C ATOM 787 O GLY A 51 -3.763 6.165 5.030 1.00 62.23 O ATOM 0 H GLY A 51 -6.306 8.889 3.713 1.00 15.00 H new ATOM 0 HA2 GLY A 51 -5.043 8.284 5.474 1.00 53.01 H new ATOM 0 HA3 GLY A 51 -6.352 7.270 6.049 1.00 53.01 H new ATOM 791 N GLU A 52 -5.646 5.317 4.135 1.00 30.31 N ATOM 792 CA GLU A 52 -5.009 4.081 3.696 1.00 62.23 C ATOM 793 C GLU A 52 -5.735 3.496 2.487 1.00 30.11 C ATOM 794 O GLU A 52 -6.856 3.894 2.170 1.00 35.02 O ATOM 795 CB GLU A 52 -4.988 3.060 4.834 1.00 2.13 C ATOM 796 CG GLU A 52 -6.288 2.994 5.619 1.00 73.44 C ATOM 797 CD GLU A 52 -7.506 2.893 4.720 1.00 10.31 C ATOM 798 OE1 GLU A 52 -7.555 1.958 3.892 1.00 64.22 O ATOM 799 OE2 GLU A 52 -8.409 3.746 4.845 1.00 75.43 O ATOM 0 H GLU A 52 -6.640 5.382 3.914 1.00 30.31 H new ATOM 0 HA GLU A 52 -3.984 4.313 3.407 1.00 62.23 H new ATOM 0 HB2 GLU A 52 -4.772 2.074 4.422 1.00 2.13 H new ATOM 0 HB3 GLU A 52 -4.174 3.306 5.516 1.00 2.13 H new ATOM 0 HG2 GLU A 52 -6.262 2.133 6.287 1.00 73.44 H new ATOM 0 HG3 GLU A 52 -6.376 3.882 6.246 1.00 73.44 H new ATOM 806 N ILE A 53 -5.086 2.550 1.817 1.00 53.42 N ATOM 807 CA ILE A 53 -5.669 1.909 0.644 1.00 40.21 C ATOM 808 C ILE A 53 -6.412 0.634 1.026 1.00 12.33 C ATOM 809 O ILE A 53 -5.838 -0.275 1.628 1.00 5.14 O ATOM 810 CB ILE A 53 -4.593 1.569 -0.405 1.00 4.32 C ATOM 811 CG1 ILE A 53 -3.566 2.699 -0.498 1.00 22.44 C ATOM 812 CG2 ILE A 53 -5.236 1.316 -1.760 1.00 21.42 C ATOM 813 CD1 ILE A 53 -2.228 2.352 0.116 1.00 32.23 C ATOM 0 H ILE A 53 -4.157 2.210 2.066 1.00 53.42 H new ATOM 0 HA ILE A 53 -6.373 2.621 0.213 1.00 40.21 H new ATOM 0 HB ILE A 53 -4.077 0.660 -0.095 1.00 4.32 H new ATOM 0 HG12 ILE A 53 -3.419 2.960 -1.546 1.00 22.44 H new ATOM 0 HG13 ILE A 53 -3.966 3.584 -0.002 1.00 22.44 H new ATOM 0 HG21 ILE A 53 -4.463 1.077 -2.491 1.00 21.42 H new ATOM 0 HG22 ILE A 53 -5.932 0.481 -1.682 1.00 21.42 H new ATOM 0 HG23 ILE A 53 -5.774 2.208 -2.080 1.00 21.42 H new ATOM 0 HD11 ILE A 53 -1.550 3.199 0.014 1.00 32.23 H new ATOM 0 HD12 ILE A 53 -2.362 2.120 1.173 1.00 32.23 H new ATOM 0 HD13 ILE A 53 -1.807 1.486 -0.395 1.00 32.23 H new ATOM 825 N ASP A 54 -7.690 0.571 0.671 1.00 34.44 N ATOM 826 CA ASP A 54 -8.511 -0.596 0.973 1.00 2.22 C ATOM 827 C ASP A 54 -8.188 -1.748 0.028 1.00 51.44 C ATOM 828 O ASP A 54 -7.635 -1.541 -1.051 1.00 74.41 O ATOM 829 CB ASP A 54 -9.996 -0.241 0.876 1.00 24.41 C ATOM 830 CG ASP A 54 -10.306 1.116 1.477 1.00 3.41 C ATOM 831 OD1 ASP A 54 -9.568 1.544 2.389 1.00 2.00 O ATOM 832 OD2 ASP A 54 -11.289 1.750 1.037 1.00 11.01 O ATOM 0 H ASP A 54 -8.180 1.314 0.174 1.00 34.44 H new ATOM 0 HA ASP A 54 -8.287 -0.912 1.992 1.00 2.22 H new ATOM 0 HB2 ASP A 54 -10.301 -0.250 -0.170 1.00 24.41 H new ATOM 0 HB3 ASP A 54 -10.583 -1.004 1.386 1.00 24.41 H new ATOM 837 N GLN A 55 -8.538 -2.963 0.441 1.00 24.22 N ATOM 838 CA GLN A 55 -8.283 -4.148 -0.369 1.00 64.44 C ATOM 839 C GLN A 55 -8.872 -3.988 -1.767 1.00 53.45 C ATOM 840 O GLN A 55 -8.211 -4.269 -2.765 1.00 23.24 O ATOM 841 CB GLN A 55 -8.870 -5.388 0.306 1.00 51.13 C ATOM 842 CG GLN A 55 -10.336 -5.240 0.684 1.00 21.45 C ATOM 843 CD GLN A 55 -10.835 -6.383 1.544 1.00 12.33 C ATOM 844 OE1 GLN A 55 -11.353 -7.378 1.035 1.00 53.22 O ATOM 845 NE2 GLN A 55 -10.681 -6.249 2.856 1.00 72.04 N ATOM 0 H GLN A 55 -8.999 -3.152 1.331 1.00 24.22 H new ATOM 0 HA GLN A 55 -7.204 -4.270 -0.461 1.00 64.44 H new ATOM 0 HB2 GLN A 55 -8.760 -6.242 -0.363 1.00 51.13 H new ATOM 0 HB3 GLN A 55 -8.293 -5.610 1.204 1.00 51.13 H new ATOM 0 HG2 GLN A 55 -10.476 -4.300 1.218 1.00 21.45 H new ATOM 0 HG3 GLN A 55 -10.937 -5.184 -0.223 1.00 21.45 H new ATOM 0 HE21 GLN A 55 -10.246 -5.408 3.235 1.00 72.04 H new ATOM 0 HE22 GLN A 55 -10.997 -6.987 3.485 1.00 72.04 H new ATOM 854 N ASN A 56 -10.120 -3.536 -1.830 1.00 40.14 N ATOM 855 CA ASN A 56 -10.798 -3.339 -3.106 1.00 55.14 C ATOM 856 C ASN A 56 -10.029 -2.361 -3.987 1.00 32.24 C ATOM 857 O ASN A 56 -9.766 -2.638 -5.157 1.00 44.53 O ATOM 858 CB ASN A 56 -12.222 -2.827 -2.877 1.00 22.51 C ATOM 859 CG ASN A 56 -13.249 -3.589 -3.691 1.00 53.22 C ATOM 860 OD1 ASN A 56 -14.038 -2.997 -4.428 1.00 4.23 O ATOM 861 ND2 ASN A 56 -13.244 -4.911 -3.561 1.00 44.53 N ATOM 0 H ASN A 56 -10.682 -3.299 -1.013 1.00 40.14 H new ATOM 0 HA ASN A 56 -10.843 -4.301 -3.617 1.00 55.14 H new ATOM 0 HB2 ASN A 56 -12.468 -2.909 -1.818 1.00 22.51 H new ATOM 0 HB3 ASN A 56 -12.270 -1.769 -3.135 1.00 22.51 H new ATOM 0 HD21 ASN A 56 -13.912 -5.477 -4.084 1.00 44.53 H new ATOM 0 HD22 ASN A 56 -12.572 -5.360 -2.939 1.00 44.53 H new ATOM 868 N GLU A 57 -9.669 -1.216 -3.415 1.00 23.31 N ATOM 869 CA GLU A 57 -8.929 -0.195 -4.149 1.00 14.03 C ATOM 870 C GLU A 57 -7.618 -0.759 -4.692 1.00 51.43 C ATOM 871 O GLU A 57 -7.211 -0.446 -5.811 1.00 54.23 O ATOM 872 CB GLU A 57 -8.645 1.007 -3.248 1.00 45.30 C ATOM 873 CG GLU A 57 -9.890 1.590 -2.601 1.00 25.13 C ATOM 874 CD GLU A 57 -9.567 2.522 -1.449 1.00 33.00 C ATOM 875 OE1 GLU A 57 -8.385 2.582 -1.048 1.00 63.12 O ATOM 876 OE2 GLU A 57 -10.495 3.191 -0.948 1.00 23.20 O ATOM 0 H GLU A 57 -9.877 -0.972 -2.447 1.00 23.31 H new ATOM 0 HA GLU A 57 -9.542 0.128 -4.990 1.00 14.03 H new ATOM 0 HB2 GLU A 57 -7.946 0.708 -2.467 1.00 45.30 H new ATOM 0 HB3 GLU A 57 -8.154 1.783 -3.835 1.00 45.30 H new ATOM 0 HG2 GLU A 57 -10.465 2.132 -3.352 1.00 25.13 H new ATOM 0 HG3 GLU A 57 -10.522 0.778 -2.240 1.00 25.13 H new ATOM 883 N PHE A 58 -6.962 -1.591 -3.890 1.00 24.31 N ATOM 884 CA PHE A 58 -5.696 -2.197 -4.287 1.00 52.24 C ATOM 885 C PHE A 58 -5.892 -3.136 -5.474 1.00 50.30 C ATOM 886 O PHE A 58 -5.109 -3.127 -6.423 1.00 63.40 O ATOM 887 CB PHE A 58 -5.081 -2.962 -3.114 1.00 40.13 C ATOM 888 CG PHE A 58 -3.626 -3.279 -3.302 1.00 32.22 C ATOM 889 CD1 PHE A 58 -2.651 -2.369 -2.927 1.00 22.04 C ATOM 890 CD2 PHE A 58 -3.232 -4.488 -3.853 1.00 40.13 C ATOM 891 CE1 PHE A 58 -1.310 -2.659 -3.100 1.00 71.54 C ATOM 892 CE2 PHE A 58 -1.893 -4.784 -4.028 1.00 22.01 C ATOM 893 CZ PHE A 58 -0.930 -3.868 -3.650 1.00 45.33 C ATOM 0 H PHE A 58 -7.286 -1.861 -2.961 1.00 24.31 H new ATOM 0 HA PHE A 58 -5.017 -1.398 -4.585 1.00 52.24 H new ATOM 0 HB2 PHE A 58 -5.202 -2.374 -2.204 1.00 40.13 H new ATOM 0 HB3 PHE A 58 -5.631 -3.892 -2.968 1.00 40.13 H new ATOM 0 HD1 PHE A 58 -2.941 -1.423 -2.495 1.00 22.04 H new ATOM 0 HD2 PHE A 58 -3.980 -5.208 -4.149 1.00 40.13 H new ATOM 0 HE1 PHE A 58 -0.560 -1.940 -2.805 1.00 71.54 H new ATOM 0 HE2 PHE A 58 -1.600 -5.730 -4.459 1.00 22.01 H new ATOM 0 HZ PHE A 58 0.117 -4.097 -3.784 1.00 45.33 H new ATOM 903 N ALA A 59 -6.944 -3.946 -5.412 1.00 13.54 N ATOM 904 CA ALA A 59 -7.245 -4.891 -6.480 1.00 71.02 C ATOM 905 C ALA A 59 -7.483 -4.168 -7.802 1.00 2.10 C ATOM 906 O ALA A 59 -6.872 -4.494 -8.819 1.00 60.44 O ATOM 907 CB ALA A 59 -8.456 -5.736 -6.113 1.00 30.11 C ATOM 0 H ALA A 59 -7.602 -3.966 -4.633 1.00 13.54 H new ATOM 0 HA ALA A 59 -6.383 -5.547 -6.604 1.00 71.02 H new ATOM 0 HB1 ALA A 59 -8.669 -6.437 -6.920 1.00 30.11 H new ATOM 0 HB2 ALA A 59 -8.249 -6.289 -5.197 1.00 30.11 H new ATOM 0 HB3 ALA A 59 -9.319 -5.088 -5.959 1.00 30.11 H new ATOM 913 N LYS A 60 -8.376 -3.184 -7.779 1.00 51.43 N ATOM 914 CA LYS A 60 -8.697 -2.414 -8.974 1.00 72.14 C ATOM 915 C LYS A 60 -7.503 -1.574 -9.416 1.00 73.10 C ATOM 916 O LYS A 60 -7.381 -1.217 -10.589 1.00 4.53 O ATOM 917 CB LYS A 60 -9.902 -1.508 -8.714 1.00 74.34 C ATOM 918 CG LYS A 60 -11.213 -2.078 -9.229 1.00 62.13 C ATOM 919 CD LYS A 60 -11.503 -3.441 -8.625 1.00 54.20 C ATOM 920 CE LYS A 60 -12.969 -3.584 -8.248 1.00 53.14 C ATOM 921 NZ LYS A 60 -13.360 -2.636 -7.168 1.00 14.43 N ATOM 0 H LYS A 60 -8.890 -2.901 -6.945 1.00 51.43 H new ATOM 0 HA LYS A 60 -8.943 -3.115 -9.772 1.00 72.14 H new ATOM 0 HB2 LYS A 60 -9.988 -1.331 -7.642 1.00 74.34 H new ATOM 0 HB3 LYS A 60 -9.727 -0.540 -9.184 1.00 74.34 H new ATOM 0 HG2 LYS A 60 -12.027 -1.393 -8.992 1.00 62.13 H new ATOM 0 HG3 LYS A 60 -11.173 -2.161 -10.315 1.00 62.13 H new ATOM 0 HD2 LYS A 60 -11.232 -4.221 -9.337 1.00 54.20 H new ATOM 0 HD3 LYS A 60 -10.883 -3.587 -7.741 1.00 54.20 H new ATOM 0 HE2 LYS A 60 -13.589 -3.408 -9.127 1.00 53.14 H new ATOM 0 HE3 LYS A 60 -13.162 -4.606 -7.921 1.00 53.14 H new ATOM 0 HZ1 LYS A 60 -13.556 -3.166 -6.295 1.00 14.43 H new ATOM 0 HZ2 LYS A 60 -12.585 -1.964 -6.998 1.00 14.43 H new ATOM 0 HZ3 LYS A 60 -14.213 -2.115 -7.455 1.00 14.43 H new ATOM 935 N PHE A 61 -6.622 -1.263 -8.470 1.00 61.44 N ATOM 936 CA PHE A 61 -5.436 -0.464 -8.763 1.00 53.22 C ATOM 937 C PHE A 61 -4.342 -1.326 -9.388 1.00 64.12 C ATOM 938 O PHE A 61 -3.574 -0.858 -10.228 1.00 71.43 O ATOM 939 CB PHE A 61 -4.914 0.197 -7.486 1.00 35.00 C ATOM 940 CG PHE A 61 -3.452 0.538 -7.544 1.00 43.40 C ATOM 941 CD1 PHE A 61 -2.960 1.366 -8.539 1.00 32.24 C ATOM 942 CD2 PHE A 61 -2.572 0.032 -6.601 1.00 61.30 C ATOM 943 CE1 PHE A 61 -1.614 1.683 -8.594 1.00 42.04 C ATOM 944 CE2 PHE A 61 -1.227 0.346 -6.651 1.00 14.33 C ATOM 945 CZ PHE A 61 -0.747 1.171 -7.650 1.00 11.31 C ATOM 0 H PHE A 61 -6.706 -1.551 -7.495 1.00 61.44 H new ATOM 0 HA PHE A 61 -5.716 0.311 -9.477 1.00 53.22 H new ATOM 0 HB2 PHE A 61 -5.484 1.107 -7.298 1.00 35.00 H new ATOM 0 HB3 PHE A 61 -5.090 -0.470 -6.642 1.00 35.00 H new ATOM 0 HD1 PHE A 61 -3.634 1.769 -9.280 1.00 32.24 H new ATOM 0 HD2 PHE A 61 -2.941 -0.615 -5.819 1.00 61.30 H new ATOM 0 HE1 PHE A 61 -1.242 2.330 -9.375 1.00 42.04 H new ATOM 0 HE2 PHE A 61 -0.551 -0.053 -5.909 1.00 14.33 H new ATOM 0 HZ PHE A 61 0.304 1.415 -7.692 1.00 11.31 H new ATOM 955 N TYR A 62 -4.279 -2.585 -8.971 1.00 22.32 N ATOM 956 CA TYR A 62 -3.278 -3.511 -9.488 1.00 4.42 C ATOM 957 C TYR A 62 -3.454 -3.723 -10.987 1.00 61.31 C ATOM 958 O TYR A 62 -4.489 -4.209 -11.440 1.00 14.25 O ATOM 959 CB TYR A 62 -3.368 -4.852 -8.757 1.00 61.11 C ATOM 960 CG TYR A 62 -2.045 -5.331 -8.204 1.00 44.40 C ATOM 961 CD1 TYR A 62 -1.309 -4.542 -7.328 1.00 0.41 C ATOM 962 CD2 TYR A 62 -1.532 -6.573 -8.557 1.00 3.15 C ATOM 963 CE1 TYR A 62 -0.099 -4.976 -6.821 1.00 54.13 C ATOM 964 CE2 TYR A 62 -0.323 -7.016 -8.053 1.00 70.34 C ATOM 965 CZ TYR A 62 0.389 -6.213 -7.186 1.00 50.31 C ATOM 966 OH TYR A 62 1.593 -6.649 -6.683 1.00 0.42 O ATOM 0 H TYR A 62 -4.908 -2.988 -8.277 1.00 22.32 H new ATOM 0 HA TYR A 62 -2.294 -3.076 -9.315 1.00 4.42 H new ATOM 0 HB2 TYR A 62 -4.083 -4.763 -7.939 1.00 61.11 H new ATOM 0 HB3 TYR A 62 -3.759 -5.604 -9.442 1.00 61.11 H new ATOM 0 HD1 TYR A 62 -1.689 -3.573 -7.039 1.00 0.41 H new ATOM 0 HD2 TYR A 62 -2.087 -7.203 -9.236 1.00 3.15 H new ATOM 0 HE1 TYR A 62 0.461 -4.350 -6.143 1.00 54.13 H new ATOM 0 HE2 TYR A 62 0.062 -7.985 -8.336 1.00 70.34 H new ATOM 0 HH TYR A 62 1.792 -7.540 -7.038 1.00 0.42 H new ATOM 976 N GLY A 63 -2.432 -3.355 -11.755 1.00 22.13 N ATOM 977 CA GLY A 63 -2.492 -3.512 -13.196 1.00 23.31 C ATOM 978 C GLY A 63 -3.254 -2.390 -13.871 1.00 65.44 C ATOM 979 O GLY A 63 -3.458 -2.410 -15.085 1.00 31.31 O ATOM 0 H GLY A 63 -1.564 -2.951 -11.404 1.00 22.13 H new ATOM 0 HA2 GLY A 63 -1.479 -3.551 -13.596 1.00 23.31 H new ATOM 0 HA3 GLY A 63 -2.966 -4.464 -13.435 1.00 23.31 H new