USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 563 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 38 GLN : amide:sc= -0.0758 X(o=-0.076,f=-0.13) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 7 ASN : amide:sc= -0.0571 X(o=-0.057,f=0.0014) USER MOD Set 2.2: A 67 ASN : amide:sc= 0 X(o=-0.057,f=0.0014) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc=-0.00878 (180deg=-0.00878) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0419) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -147:sc= 1.87 USER MOD Single : A 23 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot -26:sc= 0.387 USER MOD Single : A 34 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.34) USER MOD Single : A 37 THR OG1 : rot -139:sc= -2.24! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 46 LYS NZ :NH3+ 148:sc= 0.155 (180deg=-0.636) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.017) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 30:sc= 0.284 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.5!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 152:sc= 0.372 USER MOD Single : A 72 TYR OH : rot 105:sc= 0.0664 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.639 6.122 6.034 1.00 0.59 N ATOM 2 CA MET A 1 9.678 5.020 5.734 1.00 0.49 C ATOM 3 C MET A 1 8.310 5.346 6.345 1.00 0.45 C ATOM 4 O MET A 1 8.218 5.877 7.438 1.00 0.64 O ATOM 5 CB MET A 1 10.200 3.706 6.328 1.00 0.67 C ATOM 6 CG MET A 1 10.013 2.573 5.316 1.00 0.89 C ATOM 7 SD MET A 1 11.619 1.823 4.945 1.00 1.33 S ATOM 8 CE MET A 1 11.055 0.103 4.859 1.00 2.06 C ATOM 0 H1 MET A 1 11.565 5.898 5.618 1.00 0.59 H new ATOM 0 H2 MET A 1 10.284 7.012 5.629 1.00 0.59 H new ATOM 0 H3 MET A 1 10.738 6.226 7.064 1.00 0.59 H new ATOM 0 HA MET A 1 9.577 4.917 4.654 1.00 0.49 H new ATOM 0 HB2 MET A 1 11.254 3.806 6.586 1.00 0.67 H new ATOM 0 HB3 MET A 1 9.666 3.475 7.250 1.00 0.67 H new ATOM 0 HG2 MET A 1 9.333 1.822 5.717 1.00 0.89 H new ATOM 0 HG3 MET A 1 9.560 2.958 4.403 1.00 0.89 H new ATOM 0 HE1 MET A 1 11.901 -0.547 4.636 1.00 2.06 H new ATOM 0 HE2 MET A 1 10.619 -0.185 5.815 1.00 2.06 H new ATOM 0 HE3 MET A 1 10.305 0.005 4.074 1.00 2.06 H new ATOM 18 N ILE A 2 7.249 5.025 5.644 1.00 0.31 N ATOM 19 CA ILE A 2 5.876 5.304 6.171 1.00 0.29 C ATOM 20 C ILE A 2 5.057 4.006 6.184 1.00 0.28 C ATOM 21 O ILE A 2 5.397 3.037 5.529 1.00 0.32 O ATOM 22 CB ILE A 2 5.178 6.349 5.287 1.00 0.27 C ATOM 23 CG1 ILE A 2 5.074 5.832 3.846 1.00 0.29 C ATOM 24 CG2 ILE A 2 5.981 7.654 5.299 1.00 0.31 C ATOM 25 CD1 ILE A 2 4.037 6.653 3.075 1.00 0.38 C ATOM 0 H ILE A 2 7.275 4.580 4.726 1.00 0.31 H new ATOM 0 HA ILE A 2 5.954 5.693 7.186 1.00 0.29 H new ATOM 0 HB ILE A 2 4.177 6.531 5.678 1.00 0.27 H new ATOM 0 HG12 ILE A 2 6.044 5.900 3.354 1.00 0.29 H new ATOM 0 HG13 ILE A 2 4.791 4.779 3.847 1.00 0.29 H new ATOM 0 HG21 ILE A 2 5.483 8.393 4.671 1.00 0.31 H new ATOM 0 HG22 ILE A 2 6.048 8.031 6.320 1.00 0.31 H new ATOM 0 HG23 ILE A 2 6.984 7.468 4.915 1.00 0.31 H new ATOM 0 HD11 ILE A 2 3.967 6.282 2.052 1.00 0.38 H new ATOM 0 HD12 ILE A 2 3.066 6.562 3.562 1.00 0.38 H new ATOM 0 HD13 ILE A 2 4.339 7.700 3.061 1.00 0.38 H new ATOM 37 N GLU A 3 3.976 3.990 6.926 1.00 0.29 N ATOM 38 CA GLU A 3 3.117 2.769 6.994 1.00 0.30 C ATOM 39 C GLU A 3 1.750 3.089 6.380 1.00 0.26 C ATOM 40 O GLU A 3 0.985 3.862 6.925 1.00 0.36 O ATOM 41 CB GLU A 3 2.947 2.346 8.459 1.00 0.38 C ATOM 42 CG GLU A 3 3.007 0.818 8.574 1.00 0.52 C ATOM 43 CD GLU A 3 1.673 0.206 8.129 1.00 0.68 C ATOM 44 OE1 GLU A 3 0.763 0.158 8.940 1.00 1.02 O ATOM 45 OE2 GLU A 3 1.585 -0.206 6.983 1.00 0.83 O ATOM 0 H GLU A 3 3.651 4.775 7.490 1.00 0.29 H new ATOM 0 HA GLU A 3 3.583 1.953 6.441 1.00 0.30 H new ATOM 0 HB2 GLU A 3 3.730 2.796 9.069 1.00 0.38 H new ATOM 0 HB3 GLU A 3 1.994 2.711 8.843 1.00 0.38 H new ATOM 0 HG2 GLU A 3 3.818 0.430 7.958 1.00 0.52 H new ATOM 0 HG3 GLU A 3 3.223 0.531 9.603 1.00 0.52 H new ATOM 52 N VAL A 4 1.446 2.505 5.247 1.00 0.24 N ATOM 53 CA VAL A 4 0.131 2.776 4.584 1.00 0.24 C ATOM 54 C VAL A 4 -0.735 1.511 4.605 1.00 0.24 C ATOM 55 O VAL A 4 -0.238 0.404 4.723 1.00 0.35 O ATOM 56 CB VAL A 4 0.361 3.221 3.131 1.00 0.28 C ATOM 57 CG1 VAL A 4 1.204 4.498 3.111 1.00 0.34 C ATOM 58 CG2 VAL A 4 1.091 2.119 2.355 1.00 0.34 C ATOM 0 H VAL A 4 2.052 1.851 4.751 1.00 0.24 H new ATOM 0 HA VAL A 4 -0.382 3.570 5.126 1.00 0.24 H new ATOM 0 HB VAL A 4 -0.604 3.412 2.662 1.00 0.28 H new ATOM 0 HG11 VAL A 4 1.366 4.811 2.080 1.00 0.34 H new ATOM 0 HG12 VAL A 4 0.682 5.287 3.652 1.00 0.34 H new ATOM 0 HG13 VAL A 4 2.166 4.307 3.587 1.00 0.34 H new ATOM 0 HG21 VAL A 4 1.250 2.443 1.326 1.00 0.34 H new ATOM 0 HG22 VAL A 4 2.054 1.919 2.825 1.00 0.34 H new ATOM 0 HG23 VAL A 4 0.489 1.210 2.361 1.00 0.34 H new ATOM 68 N VAL A 5 -2.032 1.673 4.487 1.00 0.22 N ATOM 69 CA VAL A 5 -2.950 0.491 4.496 1.00 0.24 C ATOM 70 C VAL A 5 -3.705 0.416 3.162 1.00 0.24 C ATOM 71 O VAL A 5 -4.048 1.427 2.575 1.00 0.46 O ATOM 72 CB VAL A 5 -3.948 0.617 5.656 1.00 0.29 C ATOM 73 CG1 VAL A 5 -3.188 0.558 6.985 1.00 0.42 C ATOM 74 CG2 VAL A 5 -4.704 1.950 5.560 1.00 0.41 C ATOM 0 H VAL A 5 -2.495 2.576 4.385 1.00 0.22 H new ATOM 0 HA VAL A 5 -2.365 -0.419 4.628 1.00 0.24 H new ATOM 0 HB VAL A 5 -4.665 -0.203 5.602 1.00 0.29 H new ATOM 0 HG11 VAL A 5 -3.893 0.647 7.812 1.00 0.42 H new ATOM 0 HG12 VAL A 5 -2.659 -0.392 7.060 1.00 0.42 H new ATOM 0 HG13 VAL A 5 -2.470 1.377 7.030 1.00 0.42 H new ATOM 0 HG21 VAL A 5 -5.409 2.029 6.388 1.00 0.41 H new ATOM 0 HG22 VAL A 5 -3.994 2.775 5.609 1.00 0.41 H new ATOM 0 HG23 VAL A 5 -5.247 1.993 4.616 1.00 0.41 H new ATOM 84 N VAL A 6 -3.961 -0.778 2.681 1.00 0.23 N ATOM 85 CA VAL A 6 -4.689 -0.932 1.382 1.00 0.25 C ATOM 86 C VAL A 6 -5.964 -1.761 1.587 1.00 0.24 C ATOM 87 O VAL A 6 -5.954 -2.785 2.250 1.00 0.40 O ATOM 88 CB VAL A 6 -3.782 -1.621 0.351 1.00 0.32 C ATOM 89 CG1 VAL A 6 -2.569 -0.734 0.061 1.00 0.51 C ATOM 90 CG2 VAL A 6 -3.303 -2.975 0.888 1.00 0.48 C ATOM 0 H VAL A 6 -3.697 -1.653 3.133 1.00 0.23 H new ATOM 0 HA VAL A 6 -4.963 0.056 1.014 1.00 0.25 H new ATOM 0 HB VAL A 6 -4.349 -1.781 -0.566 1.00 0.32 H new ATOM 0 HG11 VAL A 6 -1.926 -1.224 -0.671 1.00 0.51 H new ATOM 0 HG12 VAL A 6 -2.905 0.224 -0.335 1.00 0.51 H new ATOM 0 HG13 VAL A 6 -2.010 -0.569 0.982 1.00 0.51 H new ATOM 0 HG21 VAL A 6 -2.661 -3.453 0.148 1.00 0.48 H new ATOM 0 HG22 VAL A 6 -2.743 -2.823 1.811 1.00 0.48 H new ATOM 0 HG23 VAL A 6 -4.164 -3.613 1.088 1.00 0.48 H new ATOM 100 N ASN A 7 -7.061 -1.321 1.016 1.00 0.24 N ATOM 101 CA ASN A 7 -8.351 -2.066 1.156 1.00 0.25 C ATOM 102 C ASN A 7 -8.766 -2.620 -0.213 1.00 0.29 C ATOM 103 O ASN A 7 -8.661 -1.943 -1.220 1.00 0.37 O ATOM 104 CB ASN A 7 -9.436 -1.117 1.675 1.00 0.33 C ATOM 105 CG ASN A 7 -9.273 -0.925 3.186 1.00 0.44 C ATOM 106 OD1 ASN A 7 -9.933 -1.583 3.968 1.00 0.61 O ATOM 107 ND2 ASN A 7 -8.419 -0.045 3.636 1.00 0.58 N ATOM 0 H ASN A 7 -7.117 -0.471 0.455 1.00 0.24 H new ATOM 0 HA ASN A 7 -8.224 -2.888 1.860 1.00 0.25 H new ATOM 0 HB2 ASN A 7 -9.365 -0.155 1.167 1.00 0.33 H new ATOM 0 HB3 ASN A 7 -10.423 -1.522 1.454 1.00 0.33 H new ATOM 0 HD21 ASN A 7 -8.307 0.089 4.641 1.00 0.58 H new ATOM 0 HD22 ASN A 7 -7.864 0.508 2.983 1.00 0.58 H new ATOM 114 N ASP A 8 -9.229 -3.848 -0.256 1.00 0.34 N ATOM 115 CA ASP A 8 -9.644 -4.451 -1.561 1.00 0.44 C ATOM 116 C ASP A 8 -11.070 -4.011 -1.916 1.00 0.48 C ATOM 117 O ASP A 8 -11.289 -3.384 -2.938 1.00 0.57 O ATOM 118 CB ASP A 8 -9.574 -5.981 -1.468 1.00 0.52 C ATOM 119 CG ASP A 8 -8.163 -6.454 -1.846 1.00 0.78 C ATOM 120 OD1 ASP A 8 -7.318 -6.503 -0.966 1.00 0.95 O ATOM 121 OD2 ASP A 8 -7.952 -6.758 -3.010 1.00 1.03 O ATOM 0 H ASP A 8 -9.337 -4.457 0.555 1.00 0.34 H new ATOM 0 HA ASP A 8 -8.967 -4.108 -2.344 1.00 0.44 H new ATOM 0 HB2 ASP A 8 -9.819 -6.306 -0.457 1.00 0.52 H new ATOM 0 HB3 ASP A 8 -10.310 -6.430 -2.134 1.00 0.52 H new ATOM 198 N LYS A 13 -8.395 -5.660 4.456 1.00 0.41 N ATOM 199 CA LYS A 13 -7.474 -4.525 4.765 1.00 0.37 C ATOM 200 C LYS A 13 -6.066 -5.064 5.054 1.00 0.37 C ATOM 201 O LYS A 13 -5.857 -5.815 5.991 1.00 0.51 O ATOM 202 CB LYS A 13 -8.002 -3.761 5.983 1.00 0.46 C ATOM 203 CG LYS A 13 -7.301 -2.403 6.079 1.00 0.57 C ATOM 204 CD LYS A 13 -6.765 -2.199 7.501 1.00 0.94 C ATOM 205 CE LYS A 13 -5.235 -2.095 7.470 1.00 1.21 C ATOM 206 NZ LYS A 13 -4.644 -3.063 8.439 1.00 1.78 N ATOM 0 HA LYS A 13 -7.426 -3.851 3.910 1.00 0.37 H new ATOM 0 HB2 LYS A 13 -9.080 -3.620 5.898 1.00 0.46 H new ATOM 0 HB3 LYS A 13 -7.826 -4.338 6.891 1.00 0.46 H new ATOM 0 HG2 LYS A 13 -6.483 -2.353 5.361 1.00 0.57 H new ATOM 0 HG3 LYS A 13 -7.998 -1.604 5.824 1.00 0.57 H new ATOM 0 HD2 LYS A 13 -7.191 -1.294 7.934 1.00 0.94 H new ATOM 0 HD3 LYS A 13 -7.069 -3.030 8.137 1.00 0.94 H new ATOM 0 HE2 LYS A 13 -4.867 -2.302 6.465 1.00 1.21 H new ATOM 0 HE3 LYS A 13 -4.925 -1.080 7.720 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 -3.646 -2.822 8.605 1.00 1.78 H new ATOM 0 HZ2 LYS A 13 -5.165 -3.017 9.338 1.00 1.78 H new ATOM 0 HZ3 LYS A 13 -4.708 -4.026 8.051 1.00 1.78 H new ATOM 220 N VAL A 14 -5.102 -4.685 4.246 1.00 0.32 N ATOM 221 CA VAL A 14 -3.696 -5.163 4.448 1.00 0.34 C ATOM 222 C VAL A 14 -2.788 -3.967 4.774 1.00 0.32 C ATOM 223 O VAL A 14 -2.986 -2.875 4.270 1.00 0.38 O ATOM 224 CB VAL A 14 -3.197 -5.845 3.163 1.00 0.39 C ATOM 225 CG1 VAL A 14 -1.910 -6.626 3.453 1.00 0.52 C ATOM 226 CG2 VAL A 14 -4.269 -6.807 2.641 1.00 0.48 C ATOM 0 H VAL A 14 -5.231 -4.061 3.450 1.00 0.32 H new ATOM 0 HA VAL A 14 -3.671 -5.875 5.273 1.00 0.34 H new ATOM 0 HB VAL A 14 -2.994 -5.082 2.411 1.00 0.39 H new ATOM 0 HG11 VAL A 14 -1.562 -7.107 2.539 1.00 0.52 H new ATOM 0 HG12 VAL A 14 -1.144 -5.942 3.818 1.00 0.52 H new ATOM 0 HG13 VAL A 14 -2.108 -7.386 4.209 1.00 0.52 H new ATOM 0 HG21 VAL A 14 -3.913 -7.289 1.730 1.00 0.48 H new ATOM 0 HG22 VAL A 14 -4.476 -7.565 3.396 1.00 0.48 H new ATOM 0 HG23 VAL A 14 -5.182 -6.252 2.425 1.00 0.48 H new ATOM 236 N ARG A 15 -1.788 -4.171 5.600 1.00 0.31 N ATOM 237 CA ARG A 15 -0.854 -3.055 5.956 1.00 0.31 C ATOM 238 C ARG A 15 0.492 -3.279 5.256 1.00 0.32 C ATOM 239 O ARG A 15 0.964 -4.397 5.137 1.00 0.44 O ATOM 240 CB ARG A 15 -0.643 -3.006 7.475 1.00 0.42 C ATOM 241 CG ARG A 15 -0.169 -4.372 7.985 1.00 0.53 C ATOM 242 CD ARG A 15 0.994 -4.184 8.961 1.00 0.91 C ATOM 243 NE ARG A 15 2.218 -4.828 8.404 1.00 1.13 N ATOM 244 CZ ARG A 15 3.297 -4.119 8.198 1.00 1.33 C ATOM 245 NH1 ARG A 15 4.084 -3.824 9.201 1.00 1.97 N ATOM 246 NH2 ARG A 15 3.587 -3.708 6.988 1.00 1.38 N ATOM 0 H ARG A 15 -1.578 -5.065 6.044 1.00 0.31 H new ATOM 0 HA ARG A 15 -1.286 -2.109 5.630 1.00 0.31 H new ATOM 0 HB2 ARG A 15 0.093 -2.241 7.723 1.00 0.42 H new ATOM 0 HB3 ARG A 15 -1.573 -2.727 7.970 1.00 0.42 H new ATOM 0 HG2 ARG A 15 -0.990 -4.891 8.479 1.00 0.53 H new ATOM 0 HG3 ARG A 15 0.144 -4.995 7.147 1.00 0.53 H new ATOM 0 HD2 ARG A 15 1.173 -3.122 9.130 1.00 0.91 H new ATOM 0 HD3 ARG A 15 0.747 -4.623 9.927 1.00 0.91 H new ATOM 0 HE ARG A 15 2.214 -5.824 8.183 1.00 1.13 H new ATOM 0 HH11 ARG A 15 3.855 -4.147 10.141 1.00 1.97 H new ATOM 0 HH12 ARG A 15 4.926 -3.271 9.043 1.00 1.97 H new ATOM 0 HH21 ARG A 15 2.971 -3.941 6.209 1.00 1.38 H new ATOM 0 HH22 ARG A 15 4.428 -3.155 6.825 1.00 1.38 H new ATOM 260 N VAL A 16 1.108 -2.223 4.786 1.00 0.30 N ATOM 261 CA VAL A 16 2.418 -2.357 4.082 1.00 0.34 C ATOM 262 C VAL A 16 3.244 -1.074 4.276 1.00 0.34 C ATOM 263 O VAL A 16 2.735 0.026 4.153 1.00 0.37 O ATOM 264 CB VAL A 16 2.155 -2.620 2.588 1.00 0.38 C ATOM 265 CG1 VAL A 16 1.245 -1.531 2.009 1.00 0.43 C ATOM 266 CG2 VAL A 16 3.480 -2.645 1.816 1.00 0.52 C ATOM 0 H VAL A 16 0.756 -1.268 4.861 1.00 0.30 H new ATOM 0 HA VAL A 16 2.984 -3.192 4.495 1.00 0.34 H new ATOM 0 HB VAL A 16 1.662 -3.587 2.488 1.00 0.38 H new ATOM 0 HG11 VAL A 16 1.067 -1.729 0.952 1.00 0.43 H new ATOM 0 HG12 VAL A 16 0.295 -1.529 2.543 1.00 0.43 H new ATOM 0 HG13 VAL A 16 1.725 -0.559 2.120 1.00 0.43 H new ATOM 0 HG21 VAL A 16 3.283 -2.832 0.760 1.00 0.52 H new ATOM 0 HG22 VAL A 16 3.984 -1.685 1.927 1.00 0.52 H new ATOM 0 HG23 VAL A 16 4.117 -3.436 2.212 1.00 0.52 H new ATOM 276 N LYS A 17 4.514 -1.211 4.587 1.00 0.39 N ATOM 277 CA LYS A 17 5.381 -0.006 4.799 1.00 0.41 C ATOM 278 C LYS A 17 6.265 0.236 3.565 1.00 0.43 C ATOM 279 O LYS A 17 6.669 -0.693 2.884 1.00 0.53 O ATOM 280 CB LYS A 17 6.262 -0.207 6.043 1.00 0.51 C ATOM 281 CG LYS A 17 7.222 -1.384 5.837 1.00 0.65 C ATOM 282 CD LYS A 17 7.983 -1.657 7.140 1.00 0.93 C ATOM 283 CE LYS A 17 8.491 -3.105 7.145 1.00 1.56 C ATOM 284 NZ LYS A 17 8.511 -3.624 8.545 1.00 2.16 N ATOM 0 H LYS A 17 4.987 -2.107 4.703 1.00 0.39 H new ATOM 0 HA LYS A 17 4.743 0.864 4.950 1.00 0.41 H new ATOM 0 HB2 LYS A 17 6.829 0.702 6.245 1.00 0.51 H new ATOM 0 HB3 LYS A 17 5.634 -0.391 6.915 1.00 0.51 H new ATOM 0 HG2 LYS A 17 6.666 -2.272 5.535 1.00 0.65 H new ATOM 0 HG3 LYS A 17 7.924 -1.159 5.034 1.00 0.65 H new ATOM 0 HD2 LYS A 17 8.821 -0.967 7.235 1.00 0.93 H new ATOM 0 HD3 LYS A 17 7.331 -1.487 7.997 1.00 0.93 H new ATOM 0 HE2 LYS A 17 7.848 -3.729 6.524 1.00 1.56 H new ATOM 0 HE3 LYS A 17 9.491 -3.152 6.715 1.00 1.56 H new ATOM 0 HZ1 LYS A 17 8.855 -4.605 8.547 1.00 2.16 H new ATOM 0 HZ2 LYS A 17 9.142 -3.035 9.125 1.00 2.16 H new ATOM 0 HZ3 LYS A 17 7.549 -3.594 8.940 1.00 2.16 H new ATOM 298 N CYS A 18 6.565 1.485 3.277 1.00 0.40 N ATOM 299 CA CYS A 18 7.420 1.821 2.091 1.00 0.45 C ATOM 300 C CYS A 18 7.919 3.270 2.207 1.00 0.37 C ATOM 301 O CYS A 18 7.321 4.089 2.881 1.00 0.41 O ATOM 302 CB CYS A 18 6.600 1.670 0.804 1.00 0.50 C ATOM 303 SG CYS A 18 5.043 2.582 0.968 1.00 0.48 S ATOM 0 H CYS A 18 6.251 2.291 3.818 1.00 0.40 H new ATOM 0 HA CYS A 18 8.273 1.143 2.062 1.00 0.45 H new ATOM 0 HB2 CYS A 18 7.167 2.047 -0.047 1.00 0.50 H new ATOM 0 HB3 CYS A 18 6.398 0.617 0.611 1.00 0.50 H new ATOM 0 HG CYS A 18 4.106 1.961 0.315 1.00 0.48 H new ATOM 309 N LEU A 19 9.009 3.591 1.547 1.00 0.39 N ATOM 310 CA LEU A 19 9.553 4.985 1.606 1.00 0.35 C ATOM 311 C LEU A 19 8.910 5.829 0.497 1.00 0.34 C ATOM 312 O LEU A 19 8.577 5.326 -0.563 1.00 0.38 O ATOM 313 CB LEU A 19 11.075 4.950 1.406 1.00 0.39 C ATOM 314 CG LEU A 19 11.778 5.518 2.644 1.00 0.46 C ATOM 315 CD1 LEU A 19 13.166 4.886 2.778 1.00 0.61 C ATOM 316 CD2 LEU A 19 11.924 7.036 2.501 1.00 0.65 C ATOM 0 H LEU A 19 9.546 2.944 0.969 1.00 0.39 H new ATOM 0 HA LEU A 19 9.325 5.424 2.577 1.00 0.35 H new ATOM 0 HB2 LEU A 19 11.404 3.926 1.228 1.00 0.39 H new ATOM 0 HB3 LEU A 19 11.348 5.530 0.524 1.00 0.39 H new ATOM 0 HG LEU A 19 11.186 5.292 3.531 1.00 0.46 H new ATOM 0 HD11 LEU A 19 13.666 5.290 3.658 1.00 0.61 H new ATOM 0 HD12 LEU A 19 13.065 3.806 2.881 1.00 0.61 H new ATOM 0 HD13 LEU A 19 13.756 5.112 1.890 1.00 0.61 H new ATOM 0 HD21 LEU A 19 12.424 7.438 3.382 1.00 0.65 H new ATOM 0 HD22 LEU A 19 12.515 7.263 1.613 1.00 0.65 H new ATOM 0 HD23 LEU A 19 10.937 7.489 2.405 1.00 0.65 H new ATOM 328 N ALA A 20 8.741 7.111 0.733 1.00 0.36 N ATOM 329 CA ALA A 20 8.127 8.004 -0.304 1.00 0.41 C ATOM 330 C ALA A 20 9.029 8.060 -1.548 1.00 0.42 C ATOM 331 O ALA A 20 8.565 8.326 -2.644 1.00 0.45 O ATOM 332 CB ALA A 20 7.958 9.417 0.268 1.00 0.48 C ATOM 0 H ALA A 20 9.003 7.578 1.601 1.00 0.36 H new ATOM 0 HA ALA A 20 7.152 7.605 -0.585 1.00 0.41 H new ATOM 0 HB1 ALA A 20 7.512 10.064 -0.487 1.00 0.48 H new ATOM 0 HB2 ALA A 20 7.310 9.380 1.143 1.00 0.48 H new ATOM 0 HB3 ALA A 20 8.932 9.812 0.555 1.00 0.48 H new ATOM 338 N GLU A 21 10.310 7.799 -1.388 1.00 0.42 N ATOM 339 CA GLU A 21 11.246 7.824 -2.555 1.00 0.45 C ATOM 340 C GLU A 21 11.138 6.506 -3.334 1.00 0.40 C ATOM 341 O GLU A 21 11.491 6.442 -4.499 1.00 0.43 O ATOM 342 CB GLU A 21 12.688 8.015 -2.061 1.00 0.54 C ATOM 343 CG GLU A 21 13.084 6.867 -1.120 1.00 0.53 C ATOM 344 CD GLU A 21 14.057 5.919 -1.832 1.00 0.60 C ATOM 345 OE1 GLU A 21 15.228 6.256 -1.916 1.00 0.79 O ATOM 346 OE2 GLU A 21 13.617 4.872 -2.277 1.00 0.67 O ATOM 0 H GLU A 21 10.745 7.569 -0.494 1.00 0.42 H new ATOM 0 HA GLU A 21 10.978 8.653 -3.210 1.00 0.45 H new ATOM 0 HB2 GLU A 21 13.370 8.050 -2.911 1.00 0.54 H new ATOM 0 HB3 GLU A 21 12.778 8.969 -1.541 1.00 0.54 H new ATOM 0 HG2 GLU A 21 13.548 7.268 -0.219 1.00 0.53 H new ATOM 0 HG3 GLU A 21 12.195 6.320 -0.805 1.00 0.53 H new ATOM 353 N ASP A 22 10.655 5.456 -2.704 1.00 0.36 N ATOM 354 CA ASP A 22 10.523 4.145 -3.409 1.00 0.36 C ATOM 355 C ASP A 22 9.415 4.241 -4.465 1.00 0.31 C ATOM 356 O ASP A 22 8.469 4.997 -4.320 1.00 0.40 O ATOM 357 CB ASP A 22 10.181 3.044 -2.399 1.00 0.37 C ATOM 358 CG ASP A 22 11.473 2.408 -1.875 1.00 0.43 C ATOM 359 OD1 ASP A 22 12.028 1.573 -2.573 1.00 0.54 O ATOM 360 OD2 ASP A 22 11.887 2.766 -0.784 1.00 0.64 O ATOM 0 H ASP A 22 10.348 5.455 -1.731 1.00 0.36 H new ATOM 0 HA ASP A 22 11.467 3.901 -3.896 1.00 0.36 H new ATOM 0 HB2 ASP A 22 9.607 3.461 -1.571 1.00 0.37 H new ATOM 0 HB3 ASP A 22 9.556 2.286 -2.870 1.00 0.37 H new ATOM 365 N SER A 23 9.530 3.483 -5.528 1.00 0.31 N ATOM 366 CA SER A 23 8.493 3.525 -6.606 1.00 0.32 C ATOM 367 C SER A 23 7.375 2.517 -6.313 1.00 0.28 C ATOM 368 O SER A 23 7.462 1.727 -5.388 1.00 0.32 O ATOM 369 CB SER A 23 9.145 3.196 -7.955 1.00 0.42 C ATOM 370 OG SER A 23 9.711 1.890 -7.906 1.00 0.51 O ATOM 0 H SER A 23 10.300 2.835 -5.696 1.00 0.31 H new ATOM 0 HA SER A 23 8.061 4.525 -6.642 1.00 0.32 H new ATOM 0 HB2 SER A 23 8.404 3.252 -8.752 1.00 0.42 H new ATOM 0 HB3 SER A 23 9.917 3.930 -8.186 1.00 0.42 H new ATOM 0 HG SER A 23 10.126 1.681 -8.769 1.00 0.51 H new ATOM 376 N VAL A 24 6.326 2.540 -7.107 1.00 0.28 N ATOM 377 CA VAL A 24 5.194 1.583 -6.898 1.00 0.30 C ATOM 378 C VAL A 24 5.704 0.146 -7.076 1.00 0.30 C ATOM 379 O VAL A 24 5.177 -0.775 -6.483 1.00 0.34 O ATOM 380 CB VAL A 24 4.074 1.883 -7.901 1.00 0.35 C ATOM 381 CG1 VAL A 24 2.902 0.920 -7.687 1.00 0.44 C ATOM 382 CG2 VAL A 24 3.593 3.325 -7.702 1.00 0.41 C ATOM 0 H VAL A 24 6.208 3.182 -7.891 1.00 0.28 H new ATOM 0 HA VAL A 24 4.797 1.695 -5.889 1.00 0.30 H new ATOM 0 HB VAL A 24 4.456 1.755 -8.914 1.00 0.35 H new ATOM 0 HG11 VAL A 24 2.113 1.142 -8.405 1.00 0.44 H new ATOM 0 HG12 VAL A 24 3.243 -0.105 -7.829 1.00 0.44 H new ATOM 0 HG13 VAL A 24 2.515 1.037 -6.675 1.00 0.44 H new ATOM 0 HG21 VAL A 24 2.796 3.544 -8.413 1.00 0.41 H new ATOM 0 HG22 VAL A 24 3.217 3.446 -6.686 1.00 0.41 H new ATOM 0 HG23 VAL A 24 4.424 4.011 -7.865 1.00 0.41 H new ATOM 392 N GLY A 25 6.744 -0.047 -7.866 1.00 0.32 N ATOM 393 CA GLY A 25 7.310 -1.420 -8.052 1.00 0.39 C ATOM 394 C GLY A 25 7.741 -1.959 -6.684 1.00 0.37 C ATOM 395 O GLY A 25 7.416 -3.073 -6.317 1.00 0.41 O ATOM 0 H GLY A 25 7.220 0.690 -8.386 1.00 0.32 H new ATOM 0 HA2 GLY A 25 6.566 -2.078 -8.501 1.00 0.39 H new ATOM 0 HA3 GLY A 25 8.161 -1.390 -8.732 1.00 0.39 H new ATOM 399 N ASP A 26 8.448 -1.154 -5.919 1.00 0.36 N ATOM 400 CA ASP A 26 8.883 -1.584 -4.555 1.00 0.39 C ATOM 401 C ASP A 26 7.651 -1.658 -3.643 1.00 0.34 C ATOM 402 O ASP A 26 7.560 -2.513 -2.780 1.00 0.37 O ATOM 403 CB ASP A 26 9.887 -0.566 -3.991 1.00 0.44 C ATOM 404 CG ASP A 26 10.374 -1.021 -2.610 1.00 0.67 C ATOM 405 OD1 ASP A 26 11.284 -1.832 -2.561 1.00 0.93 O ATOM 406 OD2 ASP A 26 9.829 -0.547 -1.625 1.00 0.83 O ATOM 0 H ASP A 26 8.741 -0.214 -6.186 1.00 0.36 H new ATOM 0 HA ASP A 26 9.361 -2.562 -4.608 1.00 0.39 H new ATOM 0 HB2 ASP A 26 10.734 -0.464 -4.669 1.00 0.44 H new ATOM 0 HB3 ASP A 26 9.419 0.416 -3.916 1.00 0.44 H new ATOM 411 N PHE A 27 6.695 -0.774 -3.845 1.00 0.30 N ATOM 412 CA PHE A 27 5.450 -0.785 -3.017 1.00 0.29 C ATOM 413 C PHE A 27 4.735 -2.129 -3.209 1.00 0.26 C ATOM 414 O PHE A 27 4.311 -2.756 -2.255 1.00 0.30 O ATOM 415 CB PHE A 27 4.535 0.361 -3.470 1.00 0.29 C ATOM 416 CG PHE A 27 3.368 0.506 -2.519 1.00 0.30 C ATOM 417 CD1 PHE A 27 3.576 0.469 -1.134 1.00 0.37 C ATOM 418 CD2 PHE A 27 2.074 0.681 -3.026 1.00 0.41 C ATOM 419 CE1 PHE A 27 2.493 0.606 -0.260 1.00 0.44 C ATOM 420 CE2 PHE A 27 0.992 0.817 -2.150 1.00 0.49 C ATOM 421 CZ PHE A 27 1.200 0.779 -0.768 1.00 0.48 C ATOM 0 H PHE A 27 6.729 -0.042 -4.555 1.00 0.30 H new ATOM 0 HA PHE A 27 5.698 -0.653 -1.964 1.00 0.29 H new ATOM 0 HB2 PHE A 27 5.099 1.293 -3.509 1.00 0.29 H new ATOM 0 HB3 PHE A 27 4.170 0.167 -4.478 1.00 0.29 H new ATOM 0 HD1 PHE A 27 4.573 0.335 -0.741 1.00 0.37 H new ATOM 0 HD2 PHE A 27 1.912 0.711 -4.093 1.00 0.41 H new ATOM 0 HE1 PHE A 27 2.654 0.578 0.808 1.00 0.44 H new ATOM 0 HE2 PHE A 27 -0.005 0.952 -2.542 1.00 0.49 H new ATOM 0 HZ PHE A 27 0.364 0.883 -0.093 1.00 0.48 H new ATOM 431 N LYS A 28 4.616 -2.576 -4.439 1.00 0.25 N ATOM 432 CA LYS A 28 3.949 -3.885 -4.716 1.00 0.26 C ATOM 433 C LYS A 28 4.858 -5.029 -4.247 1.00 0.27 C ATOM 434 O LYS A 28 4.386 -6.085 -3.871 1.00 0.32 O ATOM 435 CB LYS A 28 3.689 -4.021 -6.219 1.00 0.29 C ATOM 436 CG LYS A 28 2.538 -3.098 -6.619 1.00 0.38 C ATOM 437 CD LYS A 28 2.135 -3.368 -8.069 1.00 0.42 C ATOM 438 CE LYS A 28 1.068 -2.357 -8.495 1.00 0.48 C ATOM 439 NZ LYS A 28 1.280 -1.974 -9.919 1.00 0.77 N ATOM 0 H LYS A 28 4.955 -2.085 -5.266 1.00 0.25 H new ATOM 0 HA LYS A 28 3.001 -3.930 -4.180 1.00 0.26 H new ATOM 0 HB2 LYS A 28 4.588 -3.764 -6.780 1.00 0.29 H new ATOM 0 HB3 LYS A 28 3.444 -5.054 -6.465 1.00 0.29 H new ATOM 0 HG2 LYS A 28 1.685 -3.259 -5.959 1.00 0.38 H new ATOM 0 HG3 LYS A 28 2.838 -2.057 -6.504 1.00 0.38 H new ATOM 0 HD2 LYS A 28 3.005 -3.291 -8.721 1.00 0.42 H new ATOM 0 HD3 LYS A 28 1.751 -4.383 -8.169 1.00 0.42 H new ATOM 0 HE2 LYS A 28 0.074 -2.787 -8.368 1.00 0.48 H new ATOM 0 HE3 LYS A 28 1.116 -1.473 -7.859 1.00 0.48 H new ATOM 0 HZ1 LYS A 28 0.554 -1.287 -10.206 1.00 0.77 H new ATOM 0 HZ2 LYS A 28 2.222 -1.547 -10.027 1.00 0.77 H new ATOM 0 HZ3 LYS A 28 1.212 -2.820 -10.520 1.00 0.77 H new ATOM 453 N LYS A 29 6.158 -4.821 -4.260 1.00 0.30 N ATOM 454 CA LYS A 29 7.109 -5.885 -3.809 1.00 0.35 C ATOM 455 C LYS A 29 6.900 -6.163 -2.312 1.00 0.32 C ATOM 456 O LYS A 29 6.904 -7.302 -1.882 1.00 0.37 O ATOM 457 CB LYS A 29 8.551 -5.417 -4.044 1.00 0.44 C ATOM 458 CG LYS A 29 8.943 -5.655 -5.507 1.00 0.57 C ATOM 459 CD LYS A 29 10.213 -6.511 -5.564 1.00 1.21 C ATOM 460 CE LYS A 29 10.132 -7.475 -6.751 1.00 1.99 C ATOM 461 NZ LYS A 29 10.737 -8.789 -6.377 1.00 2.98 N ATOM 0 H LYS A 29 6.600 -3.954 -4.566 1.00 0.30 H new ATOM 0 HA LYS A 29 6.925 -6.797 -4.377 1.00 0.35 H new ATOM 0 HB2 LYS A 29 8.644 -4.359 -3.801 1.00 0.44 H new ATOM 0 HB3 LYS A 29 9.230 -5.956 -3.384 1.00 0.44 H new ATOM 0 HG2 LYS A 29 8.131 -6.155 -6.035 1.00 0.57 H new ATOM 0 HG3 LYS A 29 9.111 -4.702 -6.009 1.00 0.57 H new ATOM 0 HD2 LYS A 29 11.090 -5.871 -5.662 1.00 1.21 H new ATOM 0 HD3 LYS A 29 10.328 -7.071 -4.636 1.00 1.21 H new ATOM 0 HE2 LYS A 29 9.093 -7.614 -7.048 1.00 1.99 H new ATOM 0 HE3 LYS A 29 10.655 -7.054 -7.610 1.00 1.99 H new ATOM 0 HZ1 LYS A 29 10.680 -9.440 -7.186 1.00 2.98 H new ATOM 0 HZ2 LYS A 29 11.734 -8.650 -6.114 1.00 2.98 H new ATOM 0 HZ3 LYS A 29 10.219 -9.193 -5.570 1.00 2.98 H new ATOM 475 N VAL A 30 6.712 -5.129 -1.520 1.00 0.32 N ATOM 476 CA VAL A 30 6.493 -5.327 -0.050 1.00 0.33 C ATOM 477 C VAL A 30 5.082 -5.884 0.185 1.00 0.30 C ATOM 478 O VAL A 30 4.874 -6.714 1.050 1.00 0.36 O ATOM 479 CB VAL A 30 6.644 -3.987 0.691 1.00 0.37 C ATOM 480 CG1 VAL A 30 6.544 -4.225 2.199 1.00 0.43 C ATOM 481 CG2 VAL A 30 8.008 -3.363 0.372 1.00 0.45 C ATOM 0 H VAL A 30 6.701 -4.157 -1.830 1.00 0.32 H new ATOM 0 HA VAL A 30 7.234 -6.030 0.330 1.00 0.33 H new ATOM 0 HB VAL A 30 5.852 -3.311 0.368 1.00 0.37 H new ATOM 0 HG11 VAL A 30 6.651 -3.276 2.725 1.00 0.43 H new ATOM 0 HG12 VAL A 30 5.574 -4.663 2.435 1.00 0.43 H new ATOM 0 HG13 VAL A 30 7.336 -4.905 2.513 1.00 0.43 H new ATOM 0 HG21 VAL A 30 8.107 -2.415 0.900 1.00 0.45 H new ATOM 0 HG22 VAL A 30 8.801 -4.040 0.690 1.00 0.45 H new ATOM 0 HG23 VAL A 30 8.087 -3.190 -0.701 1.00 0.45 H new ATOM 491 N LEU A 31 4.113 -5.428 -0.582 1.00 0.28 N ATOM 492 CA LEU A 31 2.710 -5.922 -0.413 1.00 0.29 C ATOM 493 C LEU A 31 2.621 -7.403 -0.807 1.00 0.30 C ATOM 494 O LEU A 31 2.023 -8.196 -0.107 1.00 0.36 O ATOM 495 CB LEU A 31 1.768 -5.101 -1.304 1.00 0.30 C ATOM 496 CG LEU A 31 1.083 -4.021 -0.463 1.00 0.38 C ATOM 497 CD1 LEU A 31 0.784 -2.803 -1.338 1.00 0.52 C ATOM 498 CD2 LEU A 31 -0.227 -4.572 0.110 1.00 0.66 C ATOM 0 H LEU A 31 4.238 -4.733 -1.318 1.00 0.28 H new ATOM 0 HA LEU A 31 2.418 -5.812 0.631 1.00 0.29 H new ATOM 0 HB2 LEU A 31 2.329 -4.642 -2.118 1.00 0.30 H new ATOM 0 HB3 LEU A 31 1.021 -5.752 -1.758 1.00 0.30 H new ATOM 0 HG LEU A 31 1.742 -3.727 0.354 1.00 0.38 H new ATOM 0 HD11 LEU A 31 0.296 -2.035 -0.738 1.00 0.52 H new ATOM 0 HD12 LEU A 31 1.716 -2.409 -1.744 1.00 0.52 H new ATOM 0 HD13 LEU A 31 0.127 -3.096 -2.157 1.00 0.52 H new ATOM 0 HD21 LEU A 31 -0.714 -3.803 0.709 1.00 0.66 H new ATOM 0 HD22 LEU A 31 -0.886 -4.868 -0.707 1.00 0.66 H new ATOM 0 HD23 LEU A 31 -0.014 -5.438 0.736 1.00 0.66 H new ATOM 510 N SER A 32 3.214 -7.773 -1.923 1.00 0.28 N ATOM 511 CA SER A 32 3.174 -9.202 -2.386 1.00 0.32 C ATOM 512 C SER A 32 3.713 -10.148 -1.298 1.00 0.38 C ATOM 513 O SER A 32 3.386 -11.318 -1.283 1.00 0.42 O ATOM 514 CB SER A 32 4.016 -9.356 -3.658 1.00 0.37 C ATOM 515 OG SER A 32 5.356 -8.954 -3.402 1.00 0.47 O ATOM 0 H SER A 32 3.728 -7.141 -2.537 1.00 0.28 H new ATOM 0 HA SER A 32 2.137 -9.466 -2.594 1.00 0.32 H new ATOM 0 HB2 SER A 32 3.996 -10.392 -3.995 1.00 0.37 H new ATOM 0 HB3 SER A 32 3.593 -8.752 -4.460 1.00 0.37 H new ATOM 0 HG SER A 32 5.368 -8.306 -2.667 1.00 0.47 H new ATOM 521 N LEU A 33 4.529 -9.658 -0.392 1.00 0.45 N ATOM 522 CA LEU A 33 5.072 -10.538 0.689 1.00 0.55 C ATOM 523 C LEU A 33 3.980 -10.819 1.733 1.00 0.58 C ATOM 524 O LEU A 33 3.926 -11.893 2.305 1.00 0.66 O ATOM 525 CB LEU A 33 6.264 -9.845 1.366 1.00 0.62 C ATOM 526 CG LEU A 33 7.574 -10.542 0.974 1.00 0.69 C ATOM 527 CD1 LEU A 33 7.535 -12.008 1.417 1.00 0.78 C ATOM 528 CD2 LEU A 33 7.763 -10.472 -0.547 1.00 0.69 C ATOM 0 H LEU A 33 4.841 -8.687 -0.356 1.00 0.45 H new ATOM 0 HA LEU A 33 5.400 -11.481 0.251 1.00 0.55 H new ATOM 0 HB2 LEU A 33 6.299 -8.796 1.072 1.00 0.62 H new ATOM 0 HB3 LEU A 33 6.141 -9.868 2.449 1.00 0.62 H new ATOM 0 HG LEU A 33 8.406 -10.039 1.466 1.00 0.69 H new ATOM 0 HD11 LEU A 33 8.467 -12.498 1.136 1.00 0.78 H new ATOM 0 HD12 LEU A 33 7.410 -12.058 2.499 1.00 0.78 H new ATOM 0 HD13 LEU A 33 6.700 -12.513 0.932 1.00 0.78 H new ATOM 0 HD21 LEU A 33 8.694 -10.968 -0.821 1.00 0.69 H new ATOM 0 HD22 LEU A 33 6.928 -10.969 -1.041 1.00 0.69 H new ATOM 0 HD23 LEU A 33 7.801 -9.429 -0.861 1.00 0.69 H new ATOM 540 N GLN A 34 3.115 -9.861 1.986 1.00 0.53 N ATOM 541 CA GLN A 34 2.025 -10.059 2.996 1.00 0.60 C ATOM 542 C GLN A 34 0.841 -10.810 2.368 1.00 0.60 C ATOM 543 O GLN A 34 0.362 -11.785 2.918 1.00 0.73 O ATOM 544 CB GLN A 34 1.544 -8.695 3.502 1.00 0.61 C ATOM 545 CG GLN A 34 2.540 -8.142 4.528 1.00 0.66 C ATOM 546 CD GLN A 34 3.394 -7.047 3.882 1.00 0.45 C ATOM 547 OE1 GLN A 34 4.600 -7.168 3.807 1.00 0.66 O ATOM 548 NE2 GLN A 34 2.816 -5.973 3.409 1.00 0.69 N ATOM 0 H GLN A 34 3.119 -8.947 1.533 1.00 0.53 H new ATOM 0 HA GLN A 34 2.419 -10.647 3.825 1.00 0.60 H new ATOM 0 HB2 GLN A 34 1.445 -8.001 2.667 1.00 0.61 H new ATOM 0 HB3 GLN A 34 0.557 -8.792 3.955 1.00 0.61 H new ATOM 0 HG2 GLN A 34 2.005 -7.739 5.388 1.00 0.66 H new ATOM 0 HG3 GLN A 34 3.179 -8.944 4.898 1.00 0.66 H new ATOM 0 HE21 GLN A 34 1.803 -5.870 3.471 1.00 0.69 H new ATOM 0 HE22 GLN A 34 3.378 -5.239 2.978 1.00 0.69 H new ATOM 557 N ILE A 35 0.358 -10.353 1.232 1.00 0.50 N ATOM 558 CA ILE A 35 -0.815 -11.032 0.576 1.00 0.52 C ATOM 559 C ILE A 35 -0.360 -12.265 -0.220 1.00 0.51 C ATOM 560 O ILE A 35 -1.144 -13.167 -0.459 1.00 0.60 O ATOM 561 CB ILE A 35 -1.538 -10.063 -0.379 1.00 0.48 C ATOM 562 CG1 ILE A 35 -0.520 -9.276 -1.214 1.00 0.44 C ATOM 563 CG2 ILE A 35 -2.396 -9.085 0.426 1.00 0.55 C ATOM 564 CD1 ILE A 35 -1.247 -8.488 -2.303 1.00 0.45 C ATOM 0 H ILE A 35 0.723 -9.543 0.731 1.00 0.50 H new ATOM 0 HA ILE A 35 -1.497 -11.344 1.367 1.00 0.52 H new ATOM 0 HB ILE A 35 -2.173 -10.644 -1.047 1.00 0.48 H new ATOM 0 HG12 ILE A 35 0.042 -8.596 -0.574 1.00 0.44 H new ATOM 0 HG13 ILE A 35 0.200 -9.959 -1.665 1.00 0.44 H new ATOM 0 HG21 ILE A 35 -2.905 -8.402 -0.254 1.00 0.55 H new ATOM 0 HG22 ILE A 35 -3.135 -9.640 1.004 1.00 0.55 H new ATOM 0 HG23 ILE A 35 -1.760 -8.515 1.103 1.00 0.55 H new ATOM 0 HD11 ILE A 35 -0.521 -7.930 -2.894 1.00 0.45 H new ATOM 0 HD12 ILE A 35 -1.789 -9.177 -2.950 1.00 0.45 H new ATOM 0 HD13 ILE A 35 -1.950 -7.794 -1.842 1.00 0.45 H new ATOM 576 N GLY A 36 0.882 -12.307 -0.646 1.00 0.48 N ATOM 577 CA GLY A 36 1.365 -13.476 -1.445 1.00 0.50 C ATOM 578 C GLY A 36 0.694 -13.442 -2.822 1.00 0.45 C ATOM 579 O GLY A 36 0.279 -14.460 -3.347 1.00 0.50 O ATOM 0 H GLY A 36 1.579 -11.583 -0.474 1.00 0.48 H new ATOM 0 HA2 GLY A 36 2.449 -13.438 -1.552 1.00 0.50 H new ATOM 0 HA3 GLY A 36 1.128 -14.408 -0.932 1.00 0.50 H new ATOM 583 N THR A 37 0.572 -12.266 -3.395 1.00 0.38 N ATOM 584 CA THR A 37 -0.087 -12.123 -4.731 1.00 0.36 C ATOM 585 C THR A 37 0.946 -11.724 -5.800 1.00 0.34 C ATOM 586 O THR A 37 0.624 -11.651 -6.972 1.00 0.39 O ATOM 587 CB THR A 37 -1.171 -11.036 -4.636 1.00 0.37 C ATOM 588 OG1 THR A 37 -1.887 -11.175 -3.412 1.00 0.45 O ATOM 589 CG2 THR A 37 -2.148 -11.163 -5.805 1.00 0.43 C ATOM 0 H THR A 37 0.905 -11.392 -2.988 1.00 0.38 H new ATOM 0 HA THR A 37 -0.532 -13.076 -5.016 1.00 0.36 H new ATOM 0 HB THR A 37 -0.690 -10.059 -4.672 1.00 0.37 H new ATOM 0 HG1 THR A 37 -2.842 -11.027 -3.573 1.00 0.45 H new ATOM 0 HG21 THR A 37 -2.911 -10.388 -5.727 1.00 0.43 H new ATOM 0 HG22 THR A 37 -1.608 -11.047 -6.745 1.00 0.43 H new ATOM 0 HG23 THR A 37 -2.623 -12.144 -5.778 1.00 0.43 H new ATOM 597 N GLN A 38 2.181 -11.460 -5.405 1.00 0.38 N ATOM 598 CA GLN A 38 3.246 -11.058 -6.385 1.00 0.43 C ATOM 599 C GLN A 38 2.922 -9.673 -6.975 1.00 0.42 C ATOM 600 O GLN A 38 1.778 -9.259 -6.996 1.00 0.40 O ATOM 601 CB GLN A 38 3.351 -12.095 -7.514 1.00 0.47 C ATOM 602 CG GLN A 38 4.133 -13.317 -7.020 1.00 0.69 C ATOM 603 CD GLN A 38 3.171 -14.313 -6.365 1.00 0.94 C ATOM 604 OE1 GLN A 38 3.051 -14.354 -5.155 1.00 1.36 O ATOM 605 NE2 GLN A 38 2.477 -15.125 -7.116 1.00 1.08 N ATOM 0 H GLN A 38 2.494 -11.508 -4.435 1.00 0.38 H new ATOM 0 HA GLN A 38 4.201 -11.010 -5.862 1.00 0.43 H new ATOM 0 HB2 GLN A 38 2.355 -12.395 -7.839 1.00 0.47 H new ATOM 0 HB3 GLN A 38 3.850 -11.657 -8.378 1.00 0.47 H new ATOM 0 HG2 GLN A 38 4.651 -13.791 -7.854 1.00 0.69 H new ATOM 0 HG3 GLN A 38 4.896 -13.009 -6.305 1.00 0.69 H new ATOM 0 HE21 GLN A 38 2.577 -15.092 -8.131 1.00 1.08 H new ATOM 0 HE22 GLN A 38 1.835 -15.792 -6.688 1.00 1.08 H new ATOM 614 N PRO A 39 3.949 -8.993 -7.440 1.00 0.51 N ATOM 615 CA PRO A 39 3.812 -7.646 -8.036 1.00 0.58 C ATOM 616 C PRO A 39 3.189 -7.711 -9.442 1.00 0.59 C ATOM 617 O PRO A 39 2.862 -6.692 -10.023 1.00 0.76 O ATOM 618 CB PRO A 39 5.255 -7.127 -8.084 1.00 0.71 C ATOM 619 CG PRO A 39 6.169 -8.372 -8.046 1.00 0.73 C ATOM 620 CD PRO A 39 5.336 -9.510 -7.429 1.00 0.62 C ATOM 0 HA PRO A 39 3.149 -6.997 -7.464 1.00 0.58 H new ATOM 0 HB2 PRO A 39 5.428 -6.546 -8.990 1.00 0.71 H new ATOM 0 HB3 PRO A 39 5.459 -6.469 -7.239 1.00 0.71 H new ATOM 0 HG2 PRO A 39 6.505 -8.637 -9.049 1.00 0.73 H new ATOM 0 HG3 PRO A 39 7.062 -8.179 -7.452 1.00 0.73 H new ATOM 0 HD2 PRO A 39 5.423 -10.428 -8.011 1.00 0.62 H new ATOM 0 HD3 PRO A 39 5.667 -9.742 -6.416 1.00 0.62 H new ATOM 628 N ASN A 40 3.013 -8.897 -9.985 1.00 0.52 N ATOM 629 CA ASN A 40 2.402 -9.031 -11.344 1.00 0.60 C ATOM 630 C ASN A 40 0.871 -9.108 -11.225 1.00 0.56 C ATOM 631 O ASN A 40 0.156 -8.703 -12.125 1.00 0.68 O ATOM 632 CB ASN A 40 2.921 -10.308 -12.015 1.00 0.69 C ATOM 633 CG ASN A 40 4.371 -10.108 -12.464 1.00 0.83 C ATOM 634 OD1 ASN A 40 5.292 -10.401 -11.727 1.00 1.08 O ATOM 635 ND2 ASN A 40 4.615 -9.619 -13.652 1.00 1.08 N ATOM 0 H ASN A 40 3.269 -9.779 -9.541 1.00 0.52 H new ATOM 0 HA ASN A 40 2.674 -8.163 -11.944 1.00 0.60 H new ATOM 0 HB2 ASN A 40 2.858 -11.146 -11.320 1.00 0.69 H new ATOM 0 HB3 ASN A 40 2.297 -10.558 -12.873 1.00 0.69 H new ATOM 0 HD21 ASN A 40 5.578 -9.484 -13.960 1.00 1.08 H new ATOM 0 HD22 ASN A 40 3.842 -9.373 -14.271 1.00 1.08 H new ATOM 642 N LYS A 41 0.362 -9.632 -10.127 1.00 0.46 N ATOM 643 CA LYS A 41 -1.121 -9.744 -9.957 1.00 0.48 C ATOM 644 C LYS A 41 -1.639 -8.703 -8.946 1.00 0.42 C ATOM 645 O LYS A 41 -2.794 -8.737 -8.559 1.00 0.46 O ATOM 646 CB LYS A 41 -1.465 -11.156 -9.469 1.00 0.52 C ATOM 647 CG LYS A 41 -1.777 -12.051 -10.675 1.00 0.75 C ATOM 648 CD LYS A 41 -1.229 -13.461 -10.432 1.00 1.01 C ATOM 649 CE LYS A 41 0.303 -13.432 -10.485 1.00 1.48 C ATOM 650 NZ LYS A 41 0.844 -14.782 -10.157 1.00 2.04 N ATOM 0 H LYS A 41 0.913 -9.985 -9.345 1.00 0.46 H new ATOM 0 HA LYS A 41 -1.601 -9.554 -10.917 1.00 0.48 H new ATOM 0 HB2 LYS A 41 -0.631 -11.570 -8.902 1.00 0.52 H new ATOM 0 HB3 LYS A 41 -2.322 -11.121 -8.797 1.00 0.52 H new ATOM 0 HG2 LYS A 41 -2.854 -12.093 -10.839 1.00 0.75 H new ATOM 0 HG3 LYS A 41 -1.333 -11.629 -11.577 1.00 0.75 H new ATOM 0 HD2 LYS A 41 -1.563 -13.830 -9.462 1.00 1.01 H new ATOM 0 HD3 LYS A 41 -1.616 -14.148 -11.185 1.00 1.01 H new ATOM 0 HE2 LYS A 41 0.636 -13.128 -11.477 1.00 1.48 H new ATOM 0 HE3 LYS A 41 0.687 -12.695 -9.780 1.00 1.48 H new ATOM 0 HZ1 LYS A 41 1.883 -14.758 -10.194 1.00 2.04 H new ATOM 0 HZ2 LYS A 41 0.538 -15.056 -9.202 1.00 2.04 H new ATOM 0 HZ3 LYS A 41 0.489 -15.475 -10.846 1.00 2.04 H new ATOM 664 N ILE A 42 -0.808 -7.773 -8.520 1.00 0.37 N ATOM 665 CA ILE A 42 -1.273 -6.735 -7.544 1.00 0.33 C ATOM 666 C ILE A 42 -1.584 -5.431 -8.293 1.00 0.32 C ATOM 667 O ILE A 42 -0.764 -4.917 -9.032 1.00 0.43 O ATOM 668 CB ILE A 42 -0.181 -6.481 -6.493 1.00 0.33 C ATOM 669 CG1 ILE A 42 -0.151 -7.645 -5.500 1.00 0.35 C ATOM 670 CG2 ILE A 42 -0.482 -5.183 -5.735 1.00 0.39 C ATOM 671 CD1 ILE A 42 1.143 -7.589 -4.685 1.00 0.41 C ATOM 0 H ILE A 42 0.167 -7.691 -8.807 1.00 0.37 H new ATOM 0 HA ILE A 42 -2.174 -7.089 -7.043 1.00 0.33 H new ATOM 0 HB ILE A 42 0.784 -6.395 -6.993 1.00 0.33 H new ATOM 0 HG12 ILE A 42 -1.014 -7.592 -4.836 1.00 0.35 H new ATOM 0 HG13 ILE A 42 -0.216 -8.593 -6.033 1.00 0.35 H new ATOM 0 HG21 ILE A 42 0.295 -5.008 -4.991 1.00 0.39 H new ATOM 0 HG22 ILE A 42 -0.507 -4.349 -6.437 1.00 0.39 H new ATOM 0 HG23 ILE A 42 -1.448 -5.268 -5.237 1.00 0.39 H new ATOM 0 HD11 ILE A 42 1.164 -8.418 -3.978 1.00 0.41 H new ATOM 0 HD12 ILE A 42 1.999 -7.663 -5.356 1.00 0.41 H new ATOM 0 HD13 ILE A 42 1.189 -6.646 -4.140 1.00 0.41 H new ATOM 683 N VAL A 43 -2.766 -4.896 -8.093 1.00 0.28 N ATOM 684 CA VAL A 43 -3.157 -3.620 -8.768 1.00 0.28 C ATOM 685 C VAL A 43 -3.494 -2.580 -7.689 1.00 0.25 C ATOM 686 O VAL A 43 -4.539 -2.636 -7.066 1.00 0.32 O ATOM 687 CB VAL A 43 -4.379 -3.866 -9.666 1.00 0.34 C ATOM 688 CG1 VAL A 43 -4.757 -2.571 -10.391 1.00 0.42 C ATOM 689 CG2 VAL A 43 -4.047 -4.948 -10.702 1.00 0.47 C ATOM 0 H VAL A 43 -3.482 -5.294 -7.485 1.00 0.28 H new ATOM 0 HA VAL A 43 -2.338 -3.254 -9.387 1.00 0.28 H new ATOM 0 HB VAL A 43 -5.215 -4.195 -9.049 1.00 0.34 H new ATOM 0 HG11 VAL A 43 -5.624 -2.750 -11.027 1.00 0.42 H new ATOM 0 HG12 VAL A 43 -4.997 -1.801 -9.658 1.00 0.42 H new ATOM 0 HG13 VAL A 43 -3.919 -2.240 -11.005 1.00 0.42 H new ATOM 0 HG21 VAL A 43 -4.915 -5.121 -11.338 1.00 0.47 H new ATOM 0 HG22 VAL A 43 -3.208 -4.620 -11.315 1.00 0.47 H new ATOM 0 HG23 VAL A 43 -3.782 -5.873 -10.190 1.00 0.47 H new ATOM 699 N LEU A 44 -2.604 -1.643 -7.455 1.00 0.26 N ATOM 700 CA LEU A 44 -2.853 -0.606 -6.404 1.00 0.27 C ATOM 701 C LEU A 44 -3.332 0.704 -7.044 1.00 0.25 C ATOM 702 O LEU A 44 -2.870 1.099 -8.101 1.00 0.35 O ATOM 703 CB LEU A 44 -1.556 -0.349 -5.626 1.00 0.35 C ATOM 704 CG LEU A 44 -1.258 -1.546 -4.715 1.00 0.42 C ATOM 705 CD1 LEU A 44 0.254 -1.746 -4.613 1.00 0.48 C ATOM 706 CD2 LEU A 44 -1.834 -1.284 -3.320 1.00 0.52 C ATOM 0 H LEU A 44 -1.715 -1.553 -7.948 1.00 0.26 H new ATOM 0 HA LEU A 44 -3.627 -0.969 -5.727 1.00 0.27 H new ATOM 0 HB2 LEU A 44 -0.729 -0.192 -6.319 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -1.651 0.559 -5.031 1.00 0.35 H new ATOM 0 HG LEU A 44 -1.715 -2.442 -5.134 1.00 0.42 H new ATOM 0 HD11 LEU A 44 0.466 -2.597 -3.965 1.00 0.48 H new ATOM 0 HD12 LEU A 44 0.664 -1.934 -5.605 1.00 0.48 H new ATOM 0 HD13 LEU A 44 0.712 -0.849 -4.195 1.00 0.48 H new ATOM 0 HD21 LEU A 44 -1.622 -2.135 -2.673 1.00 0.52 H new ATOM 0 HD22 LEU A 44 -1.378 -0.387 -2.901 1.00 0.52 H new ATOM 0 HD23 LEU A 44 -2.912 -1.143 -3.392 1.00 0.52 H new ATOM 718 N GLN A 45 -4.258 1.375 -6.398 1.00 0.29 N ATOM 719 CA GLN A 45 -4.791 2.667 -6.939 1.00 0.31 C ATOM 720 C GLN A 45 -5.119 3.619 -5.778 1.00 0.33 C ATOM 721 O GLN A 45 -5.318 3.196 -4.652 1.00 0.42 O ATOM 722 CB GLN A 45 -6.063 2.408 -7.762 1.00 0.33 C ATOM 723 CG GLN A 45 -6.909 1.317 -7.096 1.00 0.39 C ATOM 724 CD GLN A 45 -8.353 1.405 -7.598 1.00 0.56 C ATOM 725 OE1 GLN A 45 -8.732 0.708 -8.519 1.00 0.83 O ATOM 726 NE2 GLN A 45 -9.183 2.236 -7.025 1.00 0.68 N ATOM 0 H GLN A 45 -4.670 1.080 -5.513 1.00 0.29 H new ATOM 0 HA GLN A 45 -4.035 3.121 -7.580 1.00 0.31 H new ATOM 0 HB2 GLN A 45 -6.643 3.327 -7.848 1.00 0.33 H new ATOM 0 HB3 GLN A 45 -5.795 2.104 -8.774 1.00 0.33 H new ATOM 0 HG2 GLN A 45 -6.495 0.334 -7.321 1.00 0.39 H new ATOM 0 HG3 GLN A 45 -6.883 1.434 -6.013 1.00 0.39 H new ATOM 0 HE21 GLN A 45 -8.866 2.821 -6.252 1.00 0.68 H new ATOM 0 HE22 GLN A 45 -10.148 2.299 -7.351 1.00 0.68 H new ATOM 735 N LYS A 46 -5.180 4.904 -6.051 1.00 0.42 N ATOM 736 CA LYS A 46 -5.496 5.898 -4.975 1.00 0.51 C ATOM 737 C LYS A 46 -6.988 6.280 -5.035 1.00 0.58 C ATOM 738 O LYS A 46 -7.384 7.337 -4.569 1.00 1.11 O ATOM 739 CB LYS A 46 -4.625 7.146 -5.171 1.00 0.60 C ATOM 740 CG LYS A 46 -3.305 6.968 -4.411 1.00 0.81 C ATOM 741 CD LYS A 46 -2.865 8.307 -3.810 1.00 0.99 C ATOM 742 CE LYS A 46 -2.120 8.049 -2.496 1.00 1.14 C ATOM 743 NZ LYS A 46 -1.827 9.343 -1.816 1.00 1.64 N ATOM 0 H LYS A 46 -5.024 5.306 -6.975 1.00 0.42 H new ATOM 0 HA LYS A 46 -5.287 5.459 -3.999 1.00 0.51 H new ATOM 0 HB2 LYS A 46 -4.429 7.304 -6.232 1.00 0.60 H new ATOM 0 HB3 LYS A 46 -5.150 8.030 -4.809 1.00 0.60 H new ATOM 0 HG2 LYS A 46 -3.427 6.227 -3.621 1.00 0.81 H new ATOM 0 HG3 LYS A 46 -2.535 6.591 -5.085 1.00 0.81 H new ATOM 0 HD2 LYS A 46 -2.220 8.839 -4.509 1.00 0.99 H new ATOM 0 HD3 LYS A 46 -3.733 8.942 -3.631 1.00 0.99 H new ATOM 0 HE2 LYS A 46 -2.722 7.414 -1.845 1.00 1.14 H new ATOM 0 HE3 LYS A 46 -1.191 7.514 -2.693 1.00 1.14 H new ATOM 0 HZ1 LYS A 46 -1.842 9.205 -0.785 1.00 1.64 H new ATOM 0 HZ2 LYS A 46 -0.888 9.683 -2.106 1.00 1.64 H new ATOM 0 HZ3 LYS A 46 -2.547 10.045 -2.081 1.00 1.64 H new ATOM 757 N GLY A 47 -7.818 5.423 -5.596 1.00 0.89 N ATOM 758 CA GLY A 47 -9.278 5.726 -5.685 1.00 0.96 C ATOM 759 C GLY A 47 -9.587 6.381 -7.033 1.00 0.82 C ATOM 760 O GLY A 47 -10.044 7.508 -7.090 1.00 1.13 O ATOM 0 H GLY A 47 -7.540 4.526 -5.995 1.00 0.89 H new ATOM 0 HA2 GLY A 47 -9.857 4.809 -5.574 1.00 0.96 H new ATOM 0 HA3 GLY A 47 -9.572 6.389 -4.871 1.00 0.96 H new ATOM 764 N GLY A 48 -9.340 5.679 -8.119 1.00 0.64 N ATOM 765 CA GLY A 48 -9.618 6.254 -9.474 1.00 0.87 C ATOM 766 C GLY A 48 -8.331 6.298 -10.310 1.00 0.84 C ATOM 767 O GLY A 48 -8.379 6.214 -11.524 1.00 0.97 O ATOM 0 H GLY A 48 -8.958 4.733 -8.122 1.00 0.64 H new ATOM 0 HA2 GLY A 48 -10.370 5.652 -9.984 1.00 0.87 H new ATOM 0 HA3 GLY A 48 -10.028 7.259 -9.373 1.00 0.87 H new ATOM 771 N SER A 49 -7.184 6.434 -9.675 1.00 0.78 N ATOM 772 CA SER A 49 -5.895 6.484 -10.437 1.00 0.82 C ATOM 773 C SER A 49 -5.050 5.249 -10.107 1.00 0.61 C ATOM 774 O SER A 49 -4.725 5.001 -8.959 1.00 0.51 O ATOM 775 CB SER A 49 -5.123 7.749 -10.051 1.00 0.96 C ATOM 776 OG SER A 49 -5.145 8.666 -11.139 1.00 1.34 O ATOM 0 H SER A 49 -7.089 6.512 -8.662 1.00 0.78 H new ATOM 0 HA SER A 49 -6.109 6.499 -11.506 1.00 0.82 H new ATOM 0 HB2 SER A 49 -5.569 8.205 -9.167 1.00 0.96 H new ATOM 0 HB3 SER A 49 -4.094 7.497 -9.794 1.00 0.96 H new ATOM 0 HG SER A 49 -4.653 9.477 -10.893 1.00 1.34 H new ATOM 782 N VAL A 50 -4.690 4.475 -11.106 1.00 0.61 N ATOM 783 CA VAL A 50 -3.860 3.254 -10.857 1.00 0.49 C ATOM 784 C VAL A 50 -2.390 3.664 -10.690 1.00 0.42 C ATOM 785 O VAL A 50 -1.847 4.407 -11.490 1.00 0.56 O ATOM 786 CB VAL A 50 -3.998 2.277 -12.036 1.00 0.65 C ATOM 787 CG1 VAL A 50 -3.136 1.036 -11.781 1.00 0.68 C ATOM 788 CG2 VAL A 50 -5.462 1.848 -12.182 1.00 0.84 C ATOM 0 H VAL A 50 -4.936 4.638 -12.082 1.00 0.61 H new ATOM 0 HA VAL A 50 -4.205 2.761 -9.948 1.00 0.49 H new ATOM 0 HB VAL A 50 -3.668 2.772 -12.949 1.00 0.65 H new ATOM 0 HG11 VAL A 50 -3.236 0.345 -12.618 1.00 0.68 H new ATOM 0 HG12 VAL A 50 -2.092 1.333 -11.678 1.00 0.68 H new ATOM 0 HG13 VAL A 50 -3.466 0.546 -10.865 1.00 0.68 H new ATOM 0 HG21 VAL A 50 -5.557 1.156 -13.018 1.00 0.84 H new ATOM 0 HG22 VAL A 50 -5.790 1.357 -11.266 1.00 0.84 H new ATOM 0 HG23 VAL A 50 -6.082 2.726 -12.366 1.00 0.84 H new ATOM 798 N LEU A 51 -1.751 3.181 -9.650 1.00 0.36 N ATOM 799 CA LEU A 51 -0.316 3.528 -9.405 1.00 0.43 C ATOM 800 C LEU A 51 0.578 2.627 -10.265 1.00 0.41 C ATOM 801 O LEU A 51 0.507 1.413 -10.188 1.00 0.49 O ATOM 802 CB LEU A 51 0.027 3.320 -7.922 1.00 0.53 C ATOM 803 CG LEU A 51 -1.080 3.886 -7.025 1.00 0.47 C ATOM 804 CD1 LEU A 51 -0.657 3.756 -5.561 1.00 0.61 C ATOM 805 CD2 LEU A 51 -1.314 5.366 -7.354 1.00 0.53 C ATOM 0 H LEU A 51 -2.166 2.558 -8.957 1.00 0.36 H new ATOM 0 HA LEU A 51 -0.149 4.572 -9.668 1.00 0.43 H new ATOM 0 HB2 LEU A 51 0.158 2.257 -7.720 1.00 0.53 H new ATOM 0 HB3 LEU A 51 0.974 3.808 -7.691 1.00 0.53 H new ATOM 0 HG LEU A 51 -2.002 3.330 -7.197 1.00 0.47 H new ATOM 0 HD11 LEU A 51 -1.441 4.157 -4.919 1.00 0.61 H new ATOM 0 HD12 LEU A 51 -0.494 2.705 -5.321 1.00 0.61 H new ATOM 0 HD13 LEU A 51 0.266 4.313 -5.398 1.00 0.61 H new ATOM 0 HD21 LEU A 51 -2.102 5.761 -6.713 1.00 0.53 H new ATOM 0 HD22 LEU A 51 -0.394 5.926 -7.186 1.00 0.53 H new ATOM 0 HD23 LEU A 51 -1.613 5.464 -8.398 1.00 0.53 H new ATOM 817 N LYS A 52 1.413 3.219 -11.087 1.00 0.44 N ATOM 818 CA LYS A 52 2.316 2.414 -11.967 1.00 0.45 C ATOM 819 C LYS A 52 3.689 2.242 -11.307 1.00 0.38 C ATOM 820 O LYS A 52 4.154 3.103 -10.584 1.00 0.37 O ATOM 821 CB LYS A 52 2.484 3.132 -13.309 1.00 0.52 C ATOM 822 CG LYS A 52 1.860 2.287 -14.420 1.00 0.78 C ATOM 823 CD LYS A 52 2.704 1.030 -14.642 1.00 1.18 C ATOM 824 CE LYS A 52 2.659 0.647 -16.125 1.00 1.31 C ATOM 825 NZ LYS A 52 3.715 -0.367 -16.412 1.00 1.84 N ATOM 0 H LYS A 52 1.507 4.230 -11.185 1.00 0.44 H new ATOM 0 HA LYS A 52 1.874 1.430 -12.124 1.00 0.45 H new ATOM 0 HB2 LYS A 52 2.008 4.112 -13.272 1.00 0.52 H new ATOM 0 HB3 LYS A 52 3.541 3.299 -13.515 1.00 0.52 H new ATOM 0 HG2 LYS A 52 0.840 2.010 -14.152 1.00 0.78 H new ATOM 0 HG3 LYS A 52 1.801 2.866 -15.342 1.00 0.78 H new ATOM 0 HD2 LYS A 52 3.733 1.209 -14.332 1.00 1.18 H new ATOM 0 HD3 LYS A 52 2.325 0.211 -14.031 1.00 1.18 H new ATOM 0 HE2 LYS A 52 1.677 0.246 -16.378 1.00 1.31 H new ATOM 0 HE3 LYS A 52 2.812 1.531 -16.744 1.00 1.31 H new ATOM 0 HZ1 LYS A 52 3.683 -0.626 -17.419 1.00 1.84 H new ATOM 0 HZ2 LYS A 52 4.649 0.031 -16.186 1.00 1.84 H new ATOM 0 HZ3 LYS A 52 3.550 -1.214 -15.831 1.00 1.84 H new ATOM 839 N ASP A 53 4.339 1.128 -11.567 1.00 0.38 N ATOM 840 CA ASP A 53 5.692 0.865 -10.972 1.00 0.36 C ATOM 841 C ASP A 53 6.741 1.805 -11.584 1.00 0.33 C ATOM 842 O ASP A 53 7.783 2.040 -10.998 1.00 0.39 O ATOM 843 CB ASP A 53 6.097 -0.592 -11.237 1.00 0.40 C ATOM 844 CG ASP A 53 4.949 -1.534 -10.843 1.00 0.46 C ATOM 845 OD1 ASP A 53 4.643 -1.611 -9.663 1.00 0.52 O ATOM 846 OD2 ASP A 53 4.395 -2.163 -11.730 1.00 0.58 O ATOM 0 H ASP A 53 3.987 0.385 -12.170 1.00 0.38 H new ATOM 0 HA ASP A 53 5.641 1.045 -9.898 1.00 0.36 H new ATOM 0 HB2 ASP A 53 6.342 -0.724 -12.291 1.00 0.40 H new ATOM 0 HB3 ASP A 53 6.993 -0.839 -10.668 1.00 0.40 H new ATOM 851 N HIS A 54 6.477 2.342 -12.756 1.00 0.34 N ATOM 852 CA HIS A 54 7.459 3.265 -13.408 1.00 0.37 C ATOM 853 C HIS A 54 7.423 4.656 -12.747 1.00 0.37 C ATOM 854 O HIS A 54 8.262 5.494 -13.029 1.00 0.48 O ATOM 855 CB HIS A 54 7.111 3.406 -14.894 1.00 0.45 C ATOM 856 CG HIS A 54 7.707 2.260 -15.668 1.00 0.60 C ATOM 857 ND1 HIS A 54 7.008 1.606 -16.670 1.00 1.31 N ATOM 858 CD2 HIS A 54 8.934 1.645 -15.605 1.00 1.24 C ATOM 859 CE1 HIS A 54 7.813 0.648 -17.166 1.00 1.21 C ATOM 860 NE2 HIS A 54 8.998 0.629 -16.552 1.00 1.06 N ATOM 0 H HIS A 54 5.622 2.179 -13.287 1.00 0.34 H new ATOM 0 HA HIS A 54 8.459 2.847 -13.292 1.00 0.37 H new ATOM 0 HB2 HIS A 54 6.029 3.421 -15.024 1.00 0.45 H new ATOM 0 HB3 HIS A 54 7.491 4.353 -15.278 1.00 0.45 H new ATOM 0 HD2 HIS A 54 9.728 1.911 -14.923 1.00 1.24 H new ATOM 0 HE1 HIS A 54 7.534 -0.024 -17.964 1.00 1.21 H new ATOM 0 HE2 HIS A 54 9.782 0.004 -16.738 1.00 1.06 H new ATOM 868 N ILE A 55 6.468 4.914 -11.876 1.00 0.34 N ATOM 869 CA ILE A 55 6.394 6.252 -11.210 1.00 0.35 C ATOM 870 C ILE A 55 6.730 6.106 -9.719 1.00 0.30 C ATOM 871 O ILE A 55 6.378 5.126 -9.084 1.00 0.33 O ATOM 872 CB ILE A 55 4.982 6.832 -11.378 1.00 0.40 C ATOM 873 CG1 ILE A 55 4.729 7.136 -12.861 1.00 0.50 C ATOM 874 CG2 ILE A 55 4.855 8.129 -10.572 1.00 0.48 C ATOM 875 CD1 ILE A 55 3.975 5.974 -13.509 1.00 0.58 C ATOM 0 H ILE A 55 5.740 4.254 -11.601 1.00 0.34 H new ATOM 0 HA ILE A 55 7.114 6.928 -11.671 1.00 0.35 H new ATOM 0 HB ILE A 55 4.252 6.107 -11.018 1.00 0.40 H new ATOM 0 HG12 ILE A 55 4.152 8.055 -12.959 1.00 0.50 H new ATOM 0 HG13 ILE A 55 5.677 7.298 -13.375 1.00 0.50 H new ATOM 0 HG21 ILE A 55 3.852 8.537 -10.694 1.00 0.48 H new ATOM 0 HG22 ILE A 55 5.036 7.921 -9.517 1.00 0.48 H new ATOM 0 HG23 ILE A 55 5.587 8.853 -10.930 1.00 0.48 H new ATOM 0 HD11 ILE A 55 3.799 6.196 -14.561 1.00 0.58 H new ATOM 0 HD12 ILE A 55 4.568 5.063 -13.425 1.00 0.58 H new ATOM 0 HD13 ILE A 55 3.020 5.833 -13.003 1.00 0.58 H new ATOM 887 N SER A 56 7.418 7.077 -9.165 1.00 0.31 N ATOM 888 CA SER A 56 7.798 7.017 -7.720 1.00 0.31 C ATOM 889 C SER A 56 6.579 7.313 -6.837 1.00 0.29 C ATOM 890 O SER A 56 5.672 8.027 -7.229 1.00 0.34 O ATOM 891 CB SER A 56 8.891 8.049 -7.437 1.00 0.38 C ATOM 892 OG SER A 56 9.739 7.566 -6.404 1.00 0.76 O ATOM 0 H SER A 56 7.734 7.913 -9.657 1.00 0.31 H new ATOM 0 HA SER A 56 8.166 6.016 -7.493 1.00 0.31 H new ATOM 0 HB2 SER A 56 9.471 8.238 -8.340 1.00 0.38 H new ATOM 0 HB3 SER A 56 8.443 8.998 -7.141 1.00 0.38 H new ATOM 0 HG SER A 56 10.441 8.225 -6.222 1.00 0.76 H new ATOM 898 N LEU A 57 6.562 6.773 -5.636 1.00 0.27 N ATOM 899 CA LEU A 57 5.418 7.018 -4.702 1.00 0.30 C ATOM 900 C LEU A 57 5.324 8.520 -4.392 1.00 0.36 C ATOM 901 O LEU A 57 4.246 9.049 -4.185 1.00 0.43 O ATOM 902 CB LEU A 57 5.641 6.241 -3.398 1.00 0.31 C ATOM 903 CG LEU A 57 5.397 4.746 -3.635 1.00 0.31 C ATOM 904 CD1 LEU A 57 6.029 3.940 -2.498 1.00 0.38 C ATOM 905 CD2 LEU A 57 3.891 4.470 -3.676 1.00 0.46 C ATOM 0 H LEU A 57 7.297 6.171 -5.265 1.00 0.27 H new ATOM 0 HA LEU A 57 4.492 6.682 -5.169 1.00 0.30 H new ATOM 0 HB2 LEU A 57 6.658 6.400 -3.039 1.00 0.31 H new ATOM 0 HB3 LEU A 57 4.968 6.610 -2.624 1.00 0.31 H new ATOM 0 HG LEU A 57 5.845 4.454 -4.585 1.00 0.31 H new ATOM 0 HD11 LEU A 57 5.856 2.877 -2.666 1.00 0.38 H new ATOM 0 HD12 LEU A 57 7.101 4.133 -2.468 1.00 0.38 H new ATOM 0 HD13 LEU A 57 5.580 4.235 -1.550 1.00 0.38 H new ATOM 0 HD21 LEU A 57 3.720 3.407 -3.845 1.00 0.46 H new ATOM 0 HD22 LEU A 57 3.441 4.764 -2.728 1.00 0.46 H new ATOM 0 HD23 LEU A 57 3.438 5.043 -4.485 1.00 0.46 H new ATOM 917 N GLU A 58 6.449 9.205 -4.371 1.00 0.37 N ATOM 918 CA GLU A 58 6.448 10.675 -4.090 1.00 0.46 C ATOM 919 C GLU A 58 5.602 11.401 -5.145 1.00 0.49 C ATOM 920 O GLU A 58 4.904 12.350 -4.838 1.00 0.56 O ATOM 921 CB GLU A 58 7.887 11.204 -4.136 1.00 0.51 C ATOM 922 CG GLU A 58 8.119 12.167 -2.967 1.00 0.82 C ATOM 923 CD GLU A 58 7.784 13.599 -3.401 1.00 1.34 C ATOM 924 OE1 GLU A 58 8.625 14.220 -4.033 1.00 1.55 O ATOM 925 OE2 GLU A 58 6.693 14.053 -3.094 1.00 1.84 O ATOM 0 H GLU A 58 7.371 8.802 -4.538 1.00 0.37 H new ATOM 0 HA GLU A 58 6.025 10.854 -3.102 1.00 0.46 H new ATOM 0 HB2 GLU A 58 8.592 10.374 -4.082 1.00 0.51 H new ATOM 0 HB3 GLU A 58 8.067 11.715 -5.082 1.00 0.51 H new ATOM 0 HG2 GLU A 58 7.498 11.880 -2.118 1.00 0.82 H new ATOM 0 HG3 GLU A 58 9.156 12.110 -2.637 1.00 0.82 H new ATOM 932 N ASP A 59 5.655 10.951 -6.380 1.00 0.46 N ATOM 933 CA ASP A 59 4.849 11.599 -7.464 1.00 0.51 C ATOM 934 C ASP A 59 3.357 11.465 -7.136 1.00 0.51 C ATOM 935 O ASP A 59 2.601 12.411 -7.264 1.00 0.57 O ATOM 936 CB ASP A 59 5.138 10.910 -8.804 1.00 0.52 C ATOM 937 CG ASP A 59 6.584 11.186 -9.231 1.00 0.55 C ATOM 938 OD1 ASP A 59 6.819 12.226 -9.825 1.00 0.69 O ATOM 939 OD2 ASP A 59 7.430 10.350 -8.961 1.00 0.60 O ATOM 0 H ASP A 59 6.224 10.160 -6.682 1.00 0.46 H new ATOM 0 HA ASP A 59 5.117 12.653 -7.534 1.00 0.51 H new ATOM 0 HB2 ASP A 59 4.975 9.836 -8.713 1.00 0.52 H new ATOM 0 HB3 ASP A 59 4.449 11.274 -9.566 1.00 0.52 H new ATOM 944 N TYR A 60 2.937 10.297 -6.701 1.00 0.48 N ATOM 945 CA TYR A 60 1.497 10.084 -6.346 1.00 0.50 C ATOM 946 C TYR A 60 1.164 10.826 -5.038 1.00 0.51 C ATOM 947 O TYR A 60 0.006 11.043 -4.727 1.00 0.56 O ATOM 948 CB TYR A 60 1.228 8.584 -6.174 1.00 0.50 C ATOM 949 CG TYR A 60 1.318 7.900 -7.519 1.00 0.47 C ATOM 950 CD1 TYR A 60 0.371 8.185 -8.513 1.00 0.56 C ATOM 951 CD2 TYR A 60 2.347 6.986 -7.776 1.00 0.56 C ATOM 952 CE1 TYR A 60 0.456 7.557 -9.760 1.00 0.61 C ATOM 953 CE2 TYR A 60 2.431 6.358 -9.024 1.00 0.62 C ATOM 954 CZ TYR A 60 1.486 6.644 -10.017 1.00 0.60 C ATOM 955 OH TYR A 60 1.569 6.025 -11.248 1.00 0.73 O ATOM 0 H TYR A 60 3.534 9.480 -6.577 1.00 0.48 H new ATOM 0 HA TYR A 60 0.868 10.475 -7.146 1.00 0.50 H new ATOM 0 HB2 TYR A 60 1.952 8.150 -5.484 1.00 0.50 H new ATOM 0 HB3 TYR A 60 0.241 8.428 -5.740 1.00 0.50 H new ATOM 0 HD1 TYR A 60 -0.424 8.889 -8.316 1.00 0.56 H new ATOM 0 HD2 TYR A 60 3.076 6.765 -7.011 1.00 0.56 H new ATOM 0 HE1 TYR A 60 -0.274 7.777 -10.525 1.00 0.61 H new ATOM 0 HE2 TYR A 60 3.225 5.653 -9.221 1.00 0.62 H new ATOM 0 HH TYR A 60 1.202 6.617 -11.937 1.00 0.73 H new ATOM 965 N GLU A 61 2.172 11.216 -4.277 1.00 0.50 N ATOM 966 CA GLU A 61 1.942 11.951 -2.991 1.00 0.52 C ATOM 967 C GLU A 61 1.385 10.991 -1.928 1.00 0.49 C ATOM 968 O GLU A 61 0.355 11.238 -1.324 1.00 0.66 O ATOM 969 CB GLU A 61 0.969 13.118 -3.228 1.00 0.60 C ATOM 970 CG GLU A 61 1.486 14.378 -2.521 1.00 0.79 C ATOM 971 CD GLU A 61 2.823 14.811 -3.137 1.00 0.93 C ATOM 972 OE1 GLU A 61 2.811 15.291 -4.261 1.00 1.04 O ATOM 973 OE2 GLU A 61 3.835 14.659 -2.473 1.00 1.13 O ATOM 0 H GLU A 61 3.153 11.051 -4.501 1.00 0.50 H new ATOM 0 HA GLU A 61 2.889 12.352 -2.630 1.00 0.52 H new ATOM 0 HB2 GLU A 61 0.866 13.306 -4.297 1.00 0.60 H new ATOM 0 HB3 GLU A 61 -0.021 12.860 -2.853 1.00 0.60 H new ATOM 0 HG2 GLU A 61 0.756 15.182 -2.612 1.00 0.79 H new ATOM 0 HG3 GLU A 61 1.613 14.182 -1.456 1.00 0.79 H new ATOM 980 N VAL A 62 2.072 9.896 -1.688 1.00 0.39 N ATOM 981 CA VAL A 62 1.605 8.915 -0.661 1.00 0.38 C ATOM 982 C VAL A 62 2.061 9.386 0.726 1.00 0.36 C ATOM 983 O VAL A 62 3.245 9.496 0.997 1.00 0.50 O ATOM 984 CB VAL A 62 2.196 7.530 -0.963 1.00 0.41 C ATOM 985 CG1 VAL A 62 1.754 6.532 0.113 1.00 0.48 C ATOM 986 CG2 VAL A 62 1.701 7.049 -2.331 1.00 0.51 C ATOM 0 H VAL A 62 2.938 9.642 -2.163 1.00 0.39 H new ATOM 0 HA VAL A 62 0.517 8.848 -0.683 1.00 0.38 H new ATOM 0 HB VAL A 62 3.284 7.599 -0.969 1.00 0.41 H new ATOM 0 HG11 VAL A 62 2.176 5.551 -0.105 1.00 0.48 H new ATOM 0 HG12 VAL A 62 2.105 6.869 1.088 1.00 0.48 H new ATOM 0 HG13 VAL A 62 0.666 6.465 0.123 1.00 0.48 H new ATOM 0 HG21 VAL A 62 2.121 6.066 -2.545 1.00 0.51 H new ATOM 0 HG22 VAL A 62 0.613 6.985 -2.322 1.00 0.51 H new ATOM 0 HG23 VAL A 62 2.017 7.754 -3.100 1.00 0.51 H new ATOM 996 N HIS A 63 1.126 9.670 1.603 1.00 0.34 N ATOM 997 CA HIS A 63 1.487 10.143 2.976 1.00 0.36 C ATOM 998 C HIS A 63 1.494 8.960 3.954 1.00 0.33 C ATOM 999 O HIS A 63 1.031 7.877 3.640 1.00 0.37 O ATOM 1000 CB HIS A 63 0.463 11.184 3.441 1.00 0.40 C ATOM 1001 CG HIS A 63 0.748 12.503 2.777 1.00 0.63 C ATOM 1002 ND1 HIS A 63 0.141 12.879 1.589 1.00 1.02 N ATOM 1003 CD2 HIS A 63 1.572 13.544 3.123 1.00 0.99 C ATOM 1004 CE1 HIS A 63 0.605 14.100 1.266 1.00 1.23 C ATOM 1005 NE2 HIS A 63 1.481 14.552 2.167 1.00 1.22 N ATOM 0 H HIS A 63 0.125 9.594 1.425 1.00 0.34 H new ATOM 0 HA HIS A 63 2.481 10.590 2.951 1.00 0.36 H new ATOM 0 HB2 HIS A 63 -0.546 10.852 3.195 1.00 0.40 H new ATOM 0 HB3 HIS A 63 0.507 11.294 4.525 1.00 0.40 H new ATOM 0 HD2 HIS A 63 2.197 13.577 4.003 1.00 0.99 H new ATOM 0 HE1 HIS A 63 0.305 14.648 0.385 1.00 1.23 H new ATOM 0 HE2 HIS A 63 1.977 15.443 2.157 1.00 1.22 H new ATOM 1013 N ASP A 64 2.017 9.164 5.141 1.00 0.34 N ATOM 1014 CA ASP A 64 2.061 8.063 6.152 1.00 0.34 C ATOM 1015 C ASP A 64 0.645 7.786 6.676 1.00 0.30 C ATOM 1016 O ASP A 64 -0.150 8.693 6.857 1.00 0.33 O ATOM 1017 CB ASP A 64 2.981 8.461 7.317 1.00 0.43 C ATOM 1018 CG ASP A 64 2.400 9.670 8.065 1.00 0.49 C ATOM 1019 OD1 ASP A 64 2.598 10.783 7.602 1.00 0.59 O ATOM 1020 OD2 ASP A 64 1.771 9.462 9.091 1.00 0.66 O ATOM 0 H ASP A 64 2.416 10.050 5.452 1.00 0.34 H new ATOM 0 HA ASP A 64 2.452 7.160 5.683 1.00 0.34 H new ATOM 0 HB2 ASP A 64 3.095 7.621 8.002 1.00 0.43 H new ATOM 0 HB3 ASP A 64 3.975 8.702 6.939 1.00 0.43 H new ATOM 1025 N GLN A 65 0.330 6.532 6.916 1.00 0.32 N ATOM 1026 CA GLN A 65 -1.029 6.158 7.426 1.00 0.35 C ATOM 1027 C GLN A 65 -2.109 6.581 6.414 1.00 0.34 C ATOM 1028 O GLN A 65 -3.210 6.951 6.784 1.00 0.44 O ATOM 1029 CB GLN A 65 -1.273 6.844 8.781 1.00 0.41 C ATOM 1030 CG GLN A 65 -1.455 5.783 9.872 1.00 0.60 C ATOM 1031 CD GLN A 65 -0.195 4.917 9.972 1.00 0.71 C ATOM 1032 OE1 GLN A 65 -0.244 3.724 9.744 1.00 0.87 O ATOM 1033 NE2 GLN A 65 0.941 5.469 10.306 1.00 0.86 N ATOM 0 H GLN A 65 0.964 5.745 6.778 1.00 0.32 H new ATOM 0 HA GLN A 65 -1.081 5.077 7.556 1.00 0.35 H new ATOM 0 HB2 GLN A 65 -0.432 7.493 9.028 1.00 0.41 H new ATOM 0 HB3 GLN A 65 -2.158 7.477 8.725 1.00 0.41 H new ATOM 0 HG2 GLN A 65 -1.653 6.264 10.830 1.00 0.60 H new ATOM 0 HG3 GLN A 65 -2.319 5.159 9.644 1.00 0.60 H new ATOM 0 HE21 GLN A 65 0.985 6.470 10.498 1.00 0.86 H new ATOM 0 HE22 GLN A 65 1.784 4.899 10.375 1.00 0.86 H new ATOM 1042 N THR A 66 -1.802 6.519 5.137 1.00 0.32 N ATOM 1043 CA THR A 66 -2.804 6.909 4.097 1.00 0.33 C ATOM 1044 C THR A 66 -3.625 5.674 3.686 1.00 0.31 C ATOM 1045 O THR A 66 -3.184 4.546 3.830 1.00 0.35 O ATOM 1046 CB THR A 66 -2.076 7.501 2.876 1.00 0.36 C ATOM 1047 OG1 THR A 66 -3.027 8.094 2.002 1.00 0.44 O ATOM 1048 CG2 THR A 66 -1.307 6.409 2.124 1.00 0.35 C ATOM 0 H THR A 66 -0.899 6.214 4.773 1.00 0.32 H new ATOM 0 HA THR A 66 -3.480 7.662 4.502 1.00 0.33 H new ATOM 0 HB THR A 66 -1.367 8.253 3.222 1.00 0.36 H new ATOM 0 HG1 THR A 66 -2.565 8.473 1.225 1.00 0.44 H new ATOM 0 HG21 THR A 66 -0.800 6.847 1.265 1.00 0.35 H new ATOM 0 HG22 THR A 66 -0.571 5.959 2.790 1.00 0.35 H new ATOM 0 HG23 THR A 66 -2.003 5.643 1.782 1.00 0.35 H new ATOM 1056 N ASN A 67 -4.819 5.884 3.180 1.00 0.30 N ATOM 1057 CA ASN A 67 -5.675 4.734 2.761 1.00 0.29 C ATOM 1058 C ASN A 67 -5.548 4.527 1.248 1.00 0.27 C ATOM 1059 O ASN A 67 -5.814 5.421 0.463 1.00 0.42 O ATOM 1060 CB ASN A 67 -7.138 5.020 3.124 1.00 0.34 C ATOM 1061 CG ASN A 67 -7.809 3.730 3.601 1.00 0.61 C ATOM 1062 OD1 ASN A 67 -8.307 2.960 2.803 1.00 0.98 O ATOM 1063 ND2 ASN A 67 -7.846 3.457 4.879 1.00 0.97 N ATOM 0 H ASN A 67 -5.235 6.805 3.040 1.00 0.30 H new ATOM 0 HA ASN A 67 -5.348 3.832 3.278 1.00 0.29 H new ATOM 0 HB2 ASN A 67 -7.188 5.778 3.905 1.00 0.34 H new ATOM 0 HB3 ASN A 67 -7.667 5.419 2.258 1.00 0.34 H new ATOM 0 HD21 ASN A 67 -8.292 2.599 5.205 1.00 0.97 H new ATOM 0 HD22 ASN A 67 -7.429 4.102 5.550 1.00 0.97 H new ATOM 1070 N LEU A 68 -5.136 3.351 0.841 1.00 0.25 N ATOM 1071 CA LEU A 68 -4.975 3.058 -0.615 1.00 0.26 C ATOM 1072 C LEU A 68 -5.927 1.927 -1.025 1.00 0.23 C ATOM 1073 O LEU A 68 -6.468 1.223 -0.191 1.00 0.27 O ATOM 1074 CB LEU A 68 -3.529 2.625 -0.883 1.00 0.33 C ATOM 1075 CG LEU A 68 -2.699 3.830 -1.333 1.00 0.71 C ATOM 1076 CD1 LEU A 68 -1.262 3.684 -0.822 1.00 0.76 C ATOM 1077 CD2 LEU A 68 -2.692 3.901 -2.863 1.00 1.32 C ATOM 0 H LEU A 68 -4.903 2.576 1.462 1.00 0.25 H new ATOM 0 HA LEU A 68 -5.208 3.952 -1.193 1.00 0.26 H new ATOM 0 HB2 LEU A 68 -3.097 2.191 0.019 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -3.508 1.851 -1.650 1.00 0.33 H new ATOM 0 HG LEU A 68 -3.136 4.743 -0.928 1.00 0.71 H new ATOM 0 HD11 LEU A 68 -0.673 4.543 -1.143 1.00 0.76 H new ATOM 0 HD12 LEU A 68 -1.266 3.634 0.267 1.00 0.76 H new ATOM 0 HD13 LEU A 68 -0.823 2.771 -1.225 1.00 0.76 H new ATOM 0 HD21 LEU A 68 -2.101 4.759 -3.185 1.00 1.32 H new ATOM 0 HD22 LEU A 68 -2.256 2.988 -3.268 1.00 1.32 H new ATOM 0 HD23 LEU A 68 -3.714 4.007 -3.227 1.00 1.32 H new ATOM 1089 N GLU A 69 -6.124 1.745 -2.309 1.00 0.26 N ATOM 1090 CA GLU A 69 -7.027 0.658 -2.793 1.00 0.26 C ATOM 1091 C GLU A 69 -6.175 -0.490 -3.350 1.00 0.25 C ATOM 1092 O GLU A 69 -5.118 -0.273 -3.918 1.00 0.29 O ATOM 1093 CB GLU A 69 -7.946 1.200 -3.893 1.00 0.32 C ATOM 1094 CG GLU A 69 -9.265 1.680 -3.275 1.00 0.51 C ATOM 1095 CD GLU A 69 -10.360 0.636 -3.519 1.00 0.87 C ATOM 1096 OE1 GLU A 69 -10.508 -0.249 -2.690 1.00 1.43 O ATOM 1097 OE2 GLU A 69 -11.037 0.739 -4.531 1.00 1.15 O ATOM 0 H GLU A 69 -5.695 2.307 -3.045 1.00 0.26 H new ATOM 0 HA GLU A 69 -7.638 0.294 -1.967 1.00 0.26 H new ATOM 0 HB2 GLU A 69 -7.458 2.022 -4.416 1.00 0.32 H new ATOM 0 HB3 GLU A 69 -8.141 0.423 -4.633 1.00 0.32 H new ATOM 0 HG2 GLU A 69 -9.138 1.844 -2.205 1.00 0.51 H new ATOM 0 HG3 GLU A 69 -9.556 2.635 -3.712 1.00 0.51 H new ATOM 1104 N LEU A 70 -6.629 -1.709 -3.183 1.00 0.25 N ATOM 1105 CA LEU A 70 -5.856 -2.883 -3.688 1.00 0.27 C ATOM 1106 C LEU A 70 -6.778 -3.793 -4.507 1.00 0.28 C ATOM 1107 O LEU A 70 -7.930 -3.999 -4.168 1.00 0.39 O ATOM 1108 CB LEU A 70 -5.279 -3.659 -2.494 1.00 0.34 C ATOM 1109 CG LEU A 70 -4.601 -4.951 -2.975 1.00 0.35 C ATOM 1110 CD1 LEU A 70 -3.408 -4.613 -3.874 1.00 0.40 C ATOM 1111 CD2 LEU A 70 -4.113 -5.748 -1.763 1.00 0.39 C ATOM 0 H LEU A 70 -7.506 -1.940 -2.716 1.00 0.25 H new ATOM 0 HA LEU A 70 -5.041 -2.540 -4.325 1.00 0.27 H new ATOM 0 HB2 LEU A 70 -4.558 -3.038 -1.962 1.00 0.34 H new ATOM 0 HB3 LEU A 70 -6.075 -3.899 -1.789 1.00 0.34 H new ATOM 0 HG LEU A 70 -5.319 -5.543 -3.542 1.00 0.35 H new ATOM 0 HD11 LEU A 70 -2.933 -5.535 -4.210 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -3.753 -4.046 -4.739 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -2.687 -4.017 -3.314 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -3.631 -6.666 -2.101 1.00 0.39 H new ATOM 0 HD22 LEU A 70 -3.398 -5.150 -1.198 1.00 0.39 H new ATOM 0 HD23 LEU A 70 -4.961 -5.997 -1.126 1.00 0.39 H new ATOM 1123 N TYR A 71 -6.272 -4.335 -5.586 1.00 0.27 N ATOM 1124 CA TYR A 71 -7.098 -5.235 -6.444 1.00 0.30 C ATOM 1125 C TYR A 71 -6.227 -6.381 -6.965 1.00 0.32 C ATOM 1126 O TYR A 71 -5.041 -6.219 -7.186 1.00 0.40 O ATOM 1127 CB TYR A 71 -7.666 -4.433 -7.620 1.00 0.34 C ATOM 1128 CG TYR A 71 -8.901 -3.689 -7.170 1.00 0.37 C ATOM 1129 CD1 TYR A 71 -10.083 -4.389 -6.902 1.00 0.51 C ATOM 1130 CD2 TYR A 71 -8.864 -2.296 -7.024 1.00 0.58 C ATOM 1131 CE1 TYR A 71 -11.227 -3.699 -6.482 1.00 0.58 C ATOM 1132 CE2 TYR A 71 -10.007 -1.605 -6.604 1.00 0.67 C ATOM 1133 CZ TYR A 71 -11.190 -2.306 -6.336 1.00 0.57 C ATOM 1134 OH TYR A 71 -12.317 -1.625 -5.921 1.00 0.70 O ATOM 0 H TYR A 71 -5.316 -4.191 -5.910 1.00 0.27 H new ATOM 0 HA TYR A 71 -7.921 -5.648 -5.861 1.00 0.30 H new ATOM 0 HB2 TYR A 71 -6.919 -3.730 -7.990 1.00 0.34 H new ATOM 0 HB3 TYR A 71 -7.911 -5.101 -8.446 1.00 0.34 H new ATOM 0 HD1 TYR A 71 -10.113 -5.462 -7.019 1.00 0.51 H new ATOM 0 HD2 TYR A 71 -7.953 -1.755 -7.236 1.00 0.58 H new ATOM 0 HE1 TYR A 71 -12.137 -4.240 -6.271 1.00 0.58 H new ATOM 0 HE2 TYR A 71 -9.977 -0.532 -6.487 1.00 0.67 H new ATOM 0 HH TYR A 71 -12.051 -0.805 -5.455 1.00 0.70 H new ATOM 1144 N TYR A 72 -6.804 -7.543 -7.151 1.00 0.35 N ATOM 1145 CA TYR A 72 -6.006 -8.706 -7.644 1.00 0.39 C ATOM 1146 C TYR A 72 -6.257 -8.913 -9.141 1.00 0.40 C ATOM 1147 O TYR A 72 -7.344 -9.282 -9.556 1.00 0.53 O ATOM 1148 CB TYR A 72 -6.400 -9.969 -6.867 1.00 0.46 C ATOM 1149 CG TYR A 72 -6.158 -9.751 -5.389 1.00 0.42 C ATOM 1150 CD1 TYR A 72 -4.925 -9.253 -4.947 1.00 0.56 C ATOM 1151 CD2 TYR A 72 -7.169 -10.039 -4.462 1.00 0.49 C ATOM 1152 CE1 TYR A 72 -4.703 -9.044 -3.582 1.00 0.62 C ATOM 1153 CE2 TYR A 72 -6.945 -9.832 -3.096 1.00 0.52 C ATOM 1154 CZ TYR A 72 -5.712 -9.333 -2.654 1.00 0.52 C ATOM 1155 OH TYR A 72 -5.492 -9.127 -1.308 1.00 0.64 O ATOM 0 H TYR A 72 -7.792 -7.735 -6.983 1.00 0.35 H new ATOM 0 HA TYR A 72 -4.946 -8.506 -7.488 1.00 0.39 H new ATOM 0 HB2 TYR A 72 -7.450 -10.204 -7.043 1.00 0.46 H new ATOM 0 HB3 TYR A 72 -5.819 -10.821 -7.219 1.00 0.46 H new ATOM 0 HD1 TYR A 72 -4.146 -9.030 -5.661 1.00 0.56 H new ATOM 0 HD2 TYR A 72 -8.121 -10.421 -4.802 1.00 0.49 H new ATOM 0 HE1 TYR A 72 -3.753 -8.659 -3.243 1.00 0.62 H new ATOM 0 HE2 TYR A 72 -7.723 -10.057 -2.382 1.00 0.52 H new ATOM 0 HH TYR A 72 -5.976 -8.326 -1.016 1.00 0.64 H new ATOM 1165 N LEU A 73 -5.254 -8.677 -9.952 1.00 0.40 N ATOM 1166 CA LEU A 73 -5.406 -8.855 -11.428 1.00 0.45 C ATOM 1167 C LEU A 73 -4.022 -9.065 -12.064 1.00 0.59 C ATOM 1168 O LEU A 73 -3.805 -10.129 -12.621 1.00 0.77 O ATOM 1169 CB LEU A 73 -6.074 -7.611 -12.027 1.00 0.54 C ATOM 1170 CG LEU A 73 -7.150 -8.038 -13.031 1.00 0.84 C ATOM 1171 CD1 LEU A 73 -8.512 -7.509 -12.577 1.00 1.46 C ATOM 1172 CD2 LEU A 73 -6.813 -7.467 -14.413 1.00 1.28 C ATOM 1173 OXT LEU A 73 -3.198 -8.164 -11.977 1.00 0.71 O ATOM 0 H LEU A 73 -4.330 -8.366 -9.651 1.00 0.40 H new ATOM 0 HA LEU A 73 -6.028 -9.727 -11.630 1.00 0.45 H new ATOM 0 HB2 LEU A 73 -6.520 -7.008 -11.235 1.00 0.54 H new ATOM 0 HB3 LEU A 73 -5.328 -6.988 -12.521 1.00 0.54 H new ATOM 0 HG LEU A 73 -7.185 -9.126 -13.086 1.00 0.84 H new ATOM 0 HD11 LEU A 73 -9.277 -7.813 -13.292 1.00 1.46 H new ATOM 0 HD12 LEU A 73 -8.751 -7.916 -11.594 1.00 1.46 H new ATOM 0 HD13 LEU A 73 -8.480 -6.421 -12.521 1.00 1.46 H new ATOM 0 HD21 LEU A 73 -7.578 -7.770 -15.128 1.00 1.28 H new ATOM 0 HD22 LEU A 73 -6.778 -6.379 -14.358 1.00 1.28 H new ATOM 0 HD23 LEU A 73 -5.843 -7.845 -14.736 1.00 1.28 H new